============================
I qbox 1.56.2 I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I http://eslab.ucdavis.edu I
============================
1.56.2 bgq-anl
CNK
Q0G-I3-J04.mira.i2b
2013-11-22T21:31:55Z
Task 0 of 4096 (0,0,0,0,0,0) R03-M1-N08-J04
Task 1 of 4096 (0,0,0,0,0,1) R03-M1-N08-J04
Task 2 of 4096 (0,0,0,0,0,2) R03-M1-N08-J04
Task 3 of 4096 (0,0,0,0,0,3) R03-M1-N08-J04
Task 4 of 4096 (0,0,0,0,0,4) R03-M1-N08-J04
Task 5 of 4096 (0,0,0,0,0,5) R03-M1-N08-J04
Task 6 of 4096 (0,0,0,0,0,6) R03-M1-N08-J04
Task 7 of 4096 (0,0,0,0,0,7) R03-M1-N08-J04
Task 8 of 4096 (0,0,0,0,0,8) R03-M1-N08-J04
Task 9 of 4096 (0,0,0,0,0,9) R03-M1-N08-J04
Task 10 of 4096 (0,0,0,0,0,10) R03-M1-N08-J04
Task 11 of 4096 (0,0,0,0,0,11) R03-M1-N08-J04
Task 12 of 4096 (0,0,0,0,0,12) R03-M1-N08-J04
Task 13 of 4096 (0,0,0,0,0,13) R03-M1-N08-J04
Task 14 of 4096 (0,0,0,0,0,14) R03-M1-N08-J04
Task 15 of 4096 (0,0,0,0,0,15) R03-M1-N08-J04
Task 16 of 4096 (0,0,0,0,1,0) R03-M1-N08-J03
Task 17 of 4096 (0,0,0,0,1,1) R03-M1-N08-J03
Task 18 of 4096 (0,0,0,0,1,2) R03-M1-N08-J03
Task 19 of 4096 (0,0,0,0,1,3) R03-M1-N08-J03
Task 20 of 4096 (0,0,0,0,1,4) R03-M1-N08-J03
Task 21 of 4096 (0,0,0,0,1,5) R03-M1-N08-J03
Task 22 of 4096 (0,0,0,0,1,6) R03-M1-N08-J03
Task 23 of 4096 (0,0,0,0,1,7) R03-M1-N08-J03
Task 24 of 4096 (0,0,0,0,1,8) R03-M1-N08-J03
Task 25 of 4096 (0,0,0,0,1,9) R03-M1-N08-J03
Task 26 of 4096 (0,0,0,0,1,10) R03-M1-N08-J03
Task 27 of 4096 (0,0,0,0,1,11) R03-M1-N08-J03
Task 28 of 4096 (0,0,0,0,1,12) R03-M1-N08-J03
Task 29 of 4096 (0,0,0,0,1,13) R03-M1-N08-J03
Task 30 of 4096 (0,0,0,0,1,14) R03-M1-N08-J03
Task 31 of 4096 (0,0,0,0,1,15) R03-M1-N08-J03
Task 32 of 4096 (0,0,0,1,0,0) R03-M1-N08-J08
Task 33 of 4096 (0,0,0,1,0,1) R03-M1-N08-J08
Task 34 of 4096 (0,0,0,1,0,2) R03-M1-N08-J08
Task 35 of 4096 (0,0,0,1,0,3) R03-M1-N08-J08
Task 36 of 4096 (0,0,0,1,0,4) R03-M1-N08-J08
Task 37 of 4096 (0,0,0,1,0,5) R03-M1-N08-J08
Task 38 of 4096 (0,0,0,1,0,6) R03-M1-N08-J08
Task 39 of 4096 (0,0,0,1,0,7) R03-M1-N08-J08
Task 40 of 4096 (0,0,0,1,0,8) R03-M1-N08-J08
Task 41 of 4096 (0,0,0,1,0,9) R03-M1-N08-J08
Task 42 of 4096 (0,0,0,1,0,10) R03-M1-N08-J08
Task 43 of 4096 (0,0,0,1,0,11) R03-M1-N08-J08
Task 44 of 4096 (0,0,0,1,0,12) R03-M1-N08-J08
Task 45 of 4096 (0,0,0,1,0,13) R03-M1-N08-J08
Task 46 of 4096 (0,0,0,1,0,14) R03-M1-N08-J08
Task 47 of 4096 (0,0,0,1,0,15) R03-M1-N08-J08
Task 48 of 4096 (0,0,0,1,1,0) R03-M1-N08-J15
Task 49 of 4096 (0,0,0,1,1,1) R03-M1-N08-J15
Task 50 of 4096 (0,0,0,1,1,2) R03-M1-N08-J15
Task 51 of 4096 (0,0,0,1,1,3) R03-M1-N08-J15
Task 52 of 4096 (0,0,0,1,1,4) R03-M1-N08-J15
Task 53 of 4096 (0,0,0,1,1,5) R03-M1-N08-J15
Task 54 of 4096 (0,0,0,1,1,6) R03-M1-N08-J15
Task 55 of 4096 (0,0,0,1,1,7) R03-M1-N08-J15
Task 56 of 4096 (0,0,0,1,1,8) R03-M1-N08-J15
Task 57 of 4096 (0,0,0,1,1,9) R03-M1-N08-J15
Task 58 of 4096 (0,0,0,1,1,10) R03-M1-N08-J15
Task 59 of 4096 (0,0,0,1,1,11) R03-M1-N08-J15
Task 60 of 4096 (0,0,0,1,1,12) R03-M1-N08-J15
Task 61 of 4096 (0,0,0,1,1,13) R03-M1-N08-J15
Task 62 of 4096 (0,0,0,1,1,14) R03-M1-N08-J15
Task 63 of 4096 (0,0,0,1,1,15) R03-M1-N08-J15
Task 64 of 4096 (0,0,0,2,0,0) R03-M1-N10-J08
Task 65 of 4096 (0,0,0,2,0,1) R03-M1-N10-J08
Task 66 of 4096 (0,0,0,2,0,2) R03-M1-N10-J08
Task 67 of 4096 (0,0,0,2,0,3) R03-M1-N10-J08
Task 68 of 4096 (0,0,0,2,0,4) R03-M1-N10-J08
Task 69 of 4096 (0,0,0,2,0,5) R03-M1-N10-J08
Task 70 of 4096 (0,0,0,2,0,6) R03-M1-N10-J08
Task 71 of 4096 (0,0,0,2,0,7) R03-M1-N10-J08
Task 72 of 4096 (0,0,0,2,0,8) R03-M1-N10-J08
Task 73 of 4096 (0,0,0,2,0,9) R03-M1-N10-J08
Task 74 of 4096 (0,0,0,2,0,10) R03-M1-N10-J08
Task 75 of 4096 (0,0,0,2,0,11) R03-M1-N10-J08
Task 76 of 4096 (0,0,0,2,0,12) R03-M1-N10-J08
Task 77 of 4096 (0,0,0,2,0,13) R03-M1-N10-J08
Task 78 of 4096 (0,0,0,2,0,14) R03-M1-N10-J08
Task 79 of 4096 (0,0,0,2,0,15) R03-M1-N10-J08
Task 80 of 4096 (0,0,0,2,1,0) R03-M1-N10-J15
Task 81 of 4096 (0,0,0,2,1,1) R03-M1-N10-J15
Task 82 of 4096 (0,0,0,2,1,2) R03-M1-N10-J15
Task 83 of 4096 (0,0,0,2,1,3) R03-M1-N10-J15
Task 84 of 4096 (0,0,0,2,1,4) R03-M1-N10-J15
Task 85 of 4096 (0,0,0,2,1,5) R03-M1-N10-J15
Task 86 of 4096 (0,0,0,2,1,6) R03-M1-N10-J15
Task 87 of 4096 (0,0,0,2,1,7) R03-M1-N10-J15
Task 88 of 4096 (0,0,0,2,1,8) R03-M1-N10-J15
Task 89 of 4096 (0,0,0,2,1,9) R03-M1-N10-J15
Task 90 of 4096 (0,0,0,2,1,10) R03-M1-N10-J15
Task 91 of 4096 (0,0,0,2,1,11) R03-M1-N10-J15
Task 92 of 4096 (0,0,0,2,1,12) R03-M1-N10-J15
Task 93 of 4096 (0,0,0,2,1,13) R03-M1-N10-J15
Task 94 of 4096 (0,0,0,2,1,14) R03-M1-N10-J15
Task 95 of 4096 (0,0,0,2,1,15) R03-M1-N10-J15
Task 96 of 4096 (0,0,0,3,0,0) R03-M1-N10-J04
Task 97 of 4096 (0,0,0,3,0,1) R03-M1-N10-J04
Task 98 of 4096 (0,0,0,3,0,2) R03-M1-N10-J04
Task 99 of 4096 (0,0,0,3,0,3) R03-M1-N10-J04
Task 100 of 4096 (0,0,0,3,0,4) R03-M1-N10-J04
Task 101 of 4096 (0,0,0,3,0,5) R03-M1-N10-J04
Task 102 of 4096 (0,0,0,3,0,6) R03-M1-N10-J04
Task 103 of 4096 (0,0,0,3,0,7) R03-M1-N10-J04
Task 104 of 4096 (0,0,0,3,0,8) R03-M1-N10-J04
Task 105 of 4096 (0,0,0,3,0,9) R03-M1-N10-J04
Task 106 of 4096 (0,0,0,3,0,10) R03-M1-N10-J04
Task 107 of 4096 (0,0,0,3,0,11) R03-M1-N10-J04
Task 108 of 4096 (0,0,0,3,0,12) R03-M1-N10-J04
Task 109 of 4096 (0,0,0,3,0,13) R03-M1-N10-J04
Task 110 of 4096 (0,0,0,3,0,14) R03-M1-N10-J04
Task 111 of 4096 (0,0,0,3,0,15) R03-M1-N10-J04
Task 112 of 4096 (0,0,0,3,1,0) R03-M1-N10-J03
Task 113 of 4096 (0,0,0,3,1,1) R03-M1-N10-J03
Task 114 of 4096 (0,0,0,3,1,2) R03-M1-N10-J03
Task 115 of 4096 (0,0,0,3,1,3) R03-M1-N10-J03
Task 116 of 4096 (0,0,0,3,1,4) R03-M1-N10-J03
Task 117 of 4096 (0,0,0,3,1,5) R03-M1-N10-J03
Task 118 of 4096 (0,0,0,3,1,6) R03-M1-N10-J03
Task 119 of 4096 (0,0,0,3,1,7) R03-M1-N10-J03
Task 120 of 4096 (0,0,0,3,1,8) R03-M1-N10-J03
Task 121 of 4096 (0,0,0,3,1,9) R03-M1-N10-J03
Task 122 of 4096 (0,0,0,3,1,10) R03-M1-N10-J03
Task 123 of 4096 (0,0,0,3,1,11) R03-M1-N10-J03
Task 124 of 4096 (0,0,0,3,1,12) R03-M1-N10-J03
Task 125 of 4096 (0,0,0,3,1,13) R03-M1-N10-J03
Task 126 of 4096 (0,0,0,3,1,14) R03-M1-N10-J03
Task 127 of 4096 (0,0,0,3,1,15) R03-M1-N10-J03
Task 128 of 4096 (0,0,1,0,0,0) R03-M1-N08-J05
Task 129 of 4096 (0,0,1,0,0,1) R03-M1-N08-J05
Task 130 of 4096 (0,0,1,0,0,2) R03-M1-N08-J05
Task 131 of 4096 (0,0,1,0,0,3) R03-M1-N08-J05
Task 132 of 4096 (0,0,1,0,0,4) R03-M1-N08-J05
Task 133 of 4096 (0,0,1,0,0,5) R03-M1-N08-J05
Task 134 of 4096 (0,0,1,0,0,6) R03-M1-N08-J05
Task 135 of 4096 (0,0,1,0,0,7) R03-M1-N08-J05
Task 136 of 4096 (0,0,1,0,0,8) R03-M1-N08-J05
Task 137 of 4096 (0,0,1,0,0,9) R03-M1-N08-J05
Task 138 of 4096 (0,0,1,0,0,10) R03-M1-N08-J05
Task 139 of 4096 (0,0,1,0,0,11) R03-M1-N08-J05
Task 140 of 4096 (0,0,1,0,0,12) R03-M1-N08-J05
Task 141 of 4096 (0,0,1,0,0,13) R03-M1-N08-J05
Task 142 of 4096 (0,0,1,0,0,14) R03-M1-N08-J05
Task 143 of 4096 (0,0,1,0,0,15) R03-M1-N08-J05
Task 144 of 4096 (0,0,1,0,1,0) R03-M1-N08-J02
Task 145 of 4096 (0,0,1,0,1,1) R03-M1-N08-J02
Task 146 of 4096 (0,0,1,0,1,2) R03-M1-N08-J02
Task 147 of 4096 (0,0,1,0,1,3) R03-M1-N08-J02
Task 148 of 4096 (0,0,1,0,1,4) R03-M1-N08-J02
Task 149 of 4096 (0,0,1,0,1,5) R03-M1-N08-J02
Task 150 of 4096 (0,0,1,0,1,6) R03-M1-N08-J02
Task 151 of 4096 (0,0,1,0,1,7) R03-M1-N08-J02
Task 152 of 4096 (0,0,1,0,1,8) R03-M1-N08-J02
Task 153 of 4096 (0,0,1,0,1,9) R03-M1-N08-J02
Task 154 of 4096 (0,0,1,0,1,10) R03-M1-N08-J02
Task 155 of 4096 (0,0,1,0,1,11) R03-M1-N08-J02
Task 156 of 4096 (0,0,1,0,1,12) R03-M1-N08-J02
Task 157 of 4096 (0,0,1,0,1,13) R03-M1-N08-J02
Task 158 of 4096 (0,0,1,0,1,14) R03-M1-N08-J02
Task 159 of 4096 (0,0,1,0,1,15) R03-M1-N08-J02
Task 160 of 4096 (0,0,1,1,0,0) R03-M1-N08-J09
Task 161 of 4096 (0,0,1,1,0,1) R03-M1-N08-J09
Task 162 of 4096 (0,0,1,1,0,2) R03-M1-N08-J09
Task 163 of 4096 (0,0,1,1,0,3) R03-M1-N08-J09
Task 164 of 4096 (0,0,1,1,0,4) R03-M1-N08-J09
Task 165 of 4096 (0,0,1,1,0,5) R03-M1-N08-J09
Task 166 of 4096 (0,0,1,1,0,6) R03-M1-N08-J09
Task 167 of 4096 (0,0,1,1,0,7) R03-M1-N08-J09
Task 168 of 4096 (0,0,1,1,0,8) R03-M1-N08-J09
Task 169 of 4096 (0,0,1,1,0,9) R03-M1-N08-J09
Task 170 of 4096 (0,0,1,1,0,10) R03-M1-N08-J09
Task 171 of 4096 (0,0,1,1,0,11) R03-M1-N08-J09
Task 172 of 4096 (0,0,1,1,0,12) R03-M1-N08-J09
Task 173 of 4096 (0,0,1,1,0,13) R03-M1-N08-J09
Task 174 of 4096 (0,0,1,1,0,14) R03-M1-N08-J09
Task 175 of 4096 (0,0,1,1,0,15) R03-M1-N08-J09
Task 176 of 4096 (0,0,1,1,1,0) R03-M1-N08-J14
Task 177 of 4096 (0,0,1,1,1,1) R03-M1-N08-J14
Task 178 of 4096 (0,0,1,1,1,2) R03-M1-N08-J14
Task 179 of 4096 (0,0,1,1,1,3) R03-M1-N08-J14
Task 180 of 4096 (0,0,1,1,1,4) R03-M1-N08-J14
Task 181 of 4096 (0,0,1,1,1,5) R03-M1-N08-J14
Task 182 of 4096 (0,0,1,1,1,6) R03-M1-N08-J14
Task 183 of 4096 (0,0,1,1,1,7) R03-M1-N08-J14
Task 184 of 4096 (0,0,1,1,1,8) R03-M1-N08-J14
Task 185 of 4096 (0,0,1,1,1,9) R03-M1-N08-J14
Task 186 of 4096 (0,0,1,1,1,10) R03-M1-N08-J14
Task 187 of 4096 (0,0,1,1,1,11) R03-M1-N08-J14
Task 188 of 4096 (0,0,1,1,1,12) R03-M1-N08-J14
Task 189 of 4096 (0,0,1,1,1,13) R03-M1-N08-J14
Task 190 of 4096 (0,0,1,1,1,14) R03-M1-N08-J14
Task 191 of 4096 (0,0,1,1,1,15) R03-M1-N08-J14
Task 192 of 4096 (0,0,1,2,0,0) R03-M1-N10-J09
Task 193 of 4096 (0,0,1,2,0,1) R03-M1-N10-J09
Task 194 of 4096 (0,0,1,2,0,2) R03-M1-N10-J09
Task 195 of 4096 (0,0,1,2,0,3) R03-M1-N10-J09
Task 196 of 4096 (0,0,1,2,0,4) R03-M1-N10-J09
Task 197 of 4096 (0,0,1,2,0,5) R03-M1-N10-J09
Task 198 of 4096 (0,0,1,2,0,6) R03-M1-N10-J09
Task 199 of 4096 (0,0,1,2,0,7) R03-M1-N10-J09
Task 200 of 4096 (0,0,1,2,0,8) R03-M1-N10-J09
Task 201 of 4096 (0,0,1,2,0,9) R03-M1-N10-J09
Task 202 of 4096 (0,0,1,2,0,10) R03-M1-N10-J09
Task 203 of 4096 (0,0,1,2,0,11) R03-M1-N10-J09
Task 204 of 4096 (0,0,1,2,0,12) R03-M1-N10-J09
Task 205 of 4096 (0,0,1,2,0,13) R03-M1-N10-J09
Task 206 of 4096 (0,0,1,2,0,14) R03-M1-N10-J09
Task 207 of 4096 (0,0,1,2,0,15) R03-M1-N10-J09
Task 208 of 4096 (0,0,1,2,1,0) R03-M1-N10-J14
Task 209 of 4096 (0,0,1,2,1,1) R03-M1-N10-J14
Task 210 of 4096 (0,0,1,2,1,2) R03-M1-N10-J14
Task 211 of 4096 (0,0,1,2,1,3) R03-M1-N10-J14
Task 212 of 4096 (0,0,1,2,1,4) R03-M1-N10-J14
Task 213 of 4096 (0,0,1,2,1,5) R03-M1-N10-J14
Task 214 of 4096 (0,0,1,2,1,6) R03-M1-N10-J14
Task 215 of 4096 (0,0,1,2,1,7) R03-M1-N10-J14
Task 216 of 4096 (0,0,1,2,1,8) R03-M1-N10-J14
Task 217 of 4096 (0,0,1,2,1,9) R03-M1-N10-J14
Task 218 of 4096 (0,0,1,2,1,10) R03-M1-N10-J14
Task 219 of 4096 (0,0,1,2,1,11) R03-M1-N10-J14
Task 220 of 4096 (0,0,1,2,1,12) R03-M1-N10-J14
Task 221 of 4096 (0,0,1,2,1,13) R03-M1-N10-J14
Task 222 of 4096 (0,0,1,2,1,14) R03-M1-N10-J14
Task 223 of 4096 (0,0,1,2,1,15) R03-M1-N10-J14
Task 224 of 4096 (0,0,1,3,0,0) R03-M1-N10-J05
Task 225 of 4096 (0,0,1,3,0,1) R03-M1-N10-J05
Task 226 of 4096 (0,0,1,3,0,2) R03-M1-N10-J05
Task 227 of 4096 (0,0,1,3,0,3) R03-M1-N10-J05
Task 228 of 4096 (0,0,1,3,0,4) R03-M1-N10-J05
Task 229 of 4096 (0,0,1,3,0,5) R03-M1-N10-J05
Task 230 of 4096 (0,0,1,3,0,6) R03-M1-N10-J05
Task 231 of 4096 (0,0,1,3,0,7) R03-M1-N10-J05
Task 232 of 4096 (0,0,1,3,0,8) R03-M1-N10-J05
Task 233 of 4096 (0,0,1,3,0,9) R03-M1-N10-J05
Task 234 of 4096 (0,0,1,3,0,10) R03-M1-N10-J05
Task 235 of 4096 (0,0,1,3,0,11) R03-M1-N10-J05
Task 236 of 4096 (0,0,1,3,0,12) R03-M1-N10-J05
Task 237 of 4096 (0,0,1,3,0,13) R03-M1-N10-J05
Task 238 of 4096 (0,0,1,3,0,14) R03-M1-N10-J05
Task 239 of 4096 (0,0,1,3,0,15) R03-M1-N10-J05
Task 240 of 4096 (0,0,1,3,1,0) R03-M1-N10-J02
Task 241 of 4096 (0,0,1,3,1,1) R03-M1-N10-J02
Task 242 of 4096 (0,0,1,3,1,2) R03-M1-N10-J02
Task 243 of 4096 (0,0,1,3,1,3) R03-M1-N10-J02
Task 244 of 4096 (0,0,1,3,1,4) R03-M1-N10-J02
Task 245 of 4096 (0,0,1,3,1,5) R03-M1-N10-J02
Task 246 of 4096 (0,0,1,3,1,6) R03-M1-N10-J02
Task 247 of 4096 (0,0,1,3,1,7) R03-M1-N10-J02
Task 248 of 4096 (0,0,1,3,1,8) R03-M1-N10-J02
Task 249 of 4096 (0,0,1,3,1,9) R03-M1-N10-J02
Task 250 of 4096 (0,0,1,3,1,10) R03-M1-N10-J02
Task 251 of 4096 (0,0,1,3,1,11) R03-M1-N10-J02
Task 252 of 4096 (0,0,1,3,1,12) R03-M1-N10-J02
Task 253 of 4096 (0,0,1,3,1,13) R03-M1-N10-J02
Task 254 of 4096 (0,0,1,3,1,14) R03-M1-N10-J02
Task 255 of 4096 (0,0,1,3,1,15) R03-M1-N10-J02
Task 256 of 4096 (0,0,2,0,0,0) R03-M1-N09-J05
Task 257 of 4096 (0,0,2,0,0,1) R03-M1-N09-J05
Task 258 of 4096 (0,0,2,0,0,2) R03-M1-N09-J05
Task 259 of 4096 (0,0,2,0,0,3) R03-M1-N09-J05
Task 260 of 4096 (0,0,2,0,0,4) R03-M1-N09-J05
Task 261 of 4096 (0,0,2,0,0,5) R03-M1-N09-J05
Task 262 of 4096 (0,0,2,0,0,6) R03-M1-N09-J05
Task 263 of 4096 (0,0,2,0,0,7) R03-M1-N09-J05
Task 264 of 4096 (0,0,2,0,0,8) R03-M1-N09-J05
Task 265 of 4096 (0,0,2,0,0,9) R03-M1-N09-J05
Task 266 of 4096 (0,0,2,0,0,10) R03-M1-N09-J05
Task 267 of 4096 (0,0,2,0,0,11) R03-M1-N09-J05
Task 268 of 4096 (0,0,2,0,0,12) R03-M1-N09-J05
Task 269 of 4096 (0,0,2,0,0,13) R03-M1-N09-J05
Task 270 of 4096 (0,0,2,0,0,14) R03-M1-N09-J05
Task 271 of 4096 (0,0,2,0,0,15) R03-M1-N09-J05
Task 272 of 4096 (0,0,2,0,1,0) R03-M1-N09-J02
Task 273 of 4096 (0,0,2,0,1,1) R03-M1-N09-J02
Task 274 of 4096 (0,0,2,0,1,2) R03-M1-N09-J02
Task 275 of 4096 (0,0,2,0,1,3) R03-M1-N09-J02
Task 276 of 4096 (0,0,2,0,1,4) R03-M1-N09-J02
Task 277 of 4096 (0,0,2,0,1,5) R03-M1-N09-J02
Task 278 of 4096 (0,0,2,0,1,6) R03-M1-N09-J02
Task 279 of 4096 (0,0,2,0,1,7) R03-M1-N09-J02
Task 280 of 4096 (0,0,2,0,1,8) R03-M1-N09-J02
Task 281 of 4096 (0,0,2,0,1,9) R03-M1-N09-J02
Task 282 of 4096 (0,0,2,0,1,10) R03-M1-N09-J02
Task 283 of 4096 (0,0,2,0,1,11) R03-M1-N09-J02
Task 284 of 4096 (0,0,2,0,1,12) R03-M1-N09-J02
Task 285 of 4096 (0,0,2,0,1,13) R03-M1-N09-J02
Task 286 of 4096 (0,0,2,0,1,14) R03-M1-N09-J02
Task 287 of 4096 (0,0,2,0,1,15) R03-M1-N09-J02
Task 288 of 4096 (0,0,2,1,0,0) R03-M1-N09-J09
Task 289 of 4096 (0,0,2,1,0,1) R03-M1-N09-J09
Task 290 of 4096 (0,0,2,1,0,2) R03-M1-N09-J09
Task 291 of 4096 (0,0,2,1,0,3) R03-M1-N09-J09
Task 292 of 4096 (0,0,2,1,0,4) R03-M1-N09-J09
Task 293 of 4096 (0,0,2,1,0,5) R03-M1-N09-J09
Task 294 of 4096 (0,0,2,1,0,6) R03-M1-N09-J09
Task 295 of 4096 (0,0,2,1,0,7) R03-M1-N09-J09
Task 296 of 4096 (0,0,2,1,0,8) R03-M1-N09-J09
Task 297 of 4096 (0,0,2,1,0,9) R03-M1-N09-J09
Task 298 of 4096 (0,0,2,1,0,10) R03-M1-N09-J09
Task 299 of 4096 (0,0,2,1,0,11) R03-M1-N09-J09
Task 300 of 4096 (0,0,2,1,0,12) R03-M1-N09-J09
Task 301 of 4096 (0,0,2,1,0,13) R03-M1-N09-J09
Task 302 of 4096 (0,0,2,1,0,14) R03-M1-N09-J09
Task 303 of 4096 (0,0,2,1,0,15) R03-M1-N09-J09
Task 304 of 4096 (0,0,2,1,1,0) R03-M1-N09-J14
Task 305 of 4096 (0,0,2,1,1,1) R03-M1-N09-J14
Task 306 of 4096 (0,0,2,1,1,2) R03-M1-N09-J14
Task 307 of 4096 (0,0,2,1,1,3) R03-M1-N09-J14
Task 308 of 4096 (0,0,2,1,1,4) R03-M1-N09-J14
Task 309 of 4096 (0,0,2,1,1,5) R03-M1-N09-J14
Task 310 of 4096 (0,0,2,1,1,6) R03-M1-N09-J14
Task 311 of 4096 (0,0,2,1,1,7) R03-M1-N09-J14
Task 312 of 4096 (0,0,2,1,1,8) R03-M1-N09-J14
Task 313 of 4096 (0,0,2,1,1,9) R03-M1-N09-J14
Task 314 of 4096 (0,0,2,1,1,10) R03-M1-N09-J14
Task 315 of 4096 (0,0,2,1,1,11) R03-M1-N09-J14
Task 316 of 4096 (0,0,2,1,1,12) R03-M1-N09-J14
Task 317 of 4096 (0,0,2,1,1,13) R03-M1-N09-J14
Task 318 of 4096 (0,0,2,1,1,14) R03-M1-N09-J14
Task 319 of 4096 (0,0,2,1,1,15) R03-M1-N09-J14
Task 320 of 4096 (0,0,2,2,0,0) R03-M1-N11-J09
Task 321 of 4096 (0,0,2,2,0,1) R03-M1-N11-J09
Task 322 of 4096 (0,0,2,2,0,2) R03-M1-N11-J09
Task 323 of 4096 (0,0,2,2,0,3) R03-M1-N11-J09
Task 324 of 4096 (0,0,2,2,0,4) R03-M1-N11-J09
Task 325 of 4096 (0,0,2,2,0,5) R03-M1-N11-J09
Task 326 of 4096 (0,0,2,2,0,6) R03-M1-N11-J09
Task 327 of 4096 (0,0,2,2,0,7) R03-M1-N11-J09
Task 328 of 4096 (0,0,2,2,0,8) R03-M1-N11-J09
Task 329 of 4096 (0,0,2,2,0,9) R03-M1-N11-J09
Task 330 of 4096 (0,0,2,2,0,10) R03-M1-N11-J09
Task 331 of 4096 (0,0,2,2,0,11) R03-M1-N11-J09
Task 332 of 4096 (0,0,2,2,0,12) R03-M1-N11-J09
Task 333 of 4096 (0,0,2,2,0,13) R03-M1-N11-J09
Task 334 of 4096 (0,0,2,2,0,14) R03-M1-N11-J09
Task 335 of 4096 (0,0,2,2,0,15) R03-M1-N11-J09
Task 336 of 4096 (0,0,2,2,1,0) R03-M1-N11-J14
Task 337 of 4096 (0,0,2,2,1,1) R03-M1-N11-J14
Task 338 of 4096 (0,0,2,2,1,2) R03-M1-N11-J14
Task 339 of 4096 (0,0,2,2,1,3) R03-M1-N11-J14
Task 340 of 4096 (0,0,2,2,1,4) R03-M1-N11-J14
Task 341 of 4096 (0,0,2,2,1,5) R03-M1-N11-J14
Task 342 of 4096 (0,0,2,2,1,6) R03-M1-N11-J14
Task 343 of 4096 (0,0,2,2,1,7) R03-M1-N11-J14
Task 344 of 4096 (0,0,2,2,1,8) R03-M1-N11-J14
Task 345 of 4096 (0,0,2,2,1,9) R03-M1-N11-J14
Task 346 of 4096 (0,0,2,2,1,10) R03-M1-N11-J14
Task 347 of 4096 (0,0,2,2,1,11) R03-M1-N11-J14
Task 348 of 4096 (0,0,2,2,1,12) R03-M1-N11-J14
Task 349 of 4096 (0,0,2,2,1,13) R03-M1-N11-J14
Task 350 of 4096 (0,0,2,2,1,14) R03-M1-N11-J14
Task 351 of 4096 (0,0,2,2,1,15) R03-M1-N11-J14
Task 352 of 4096 (0,0,2,3,0,0) R03-M1-N11-J05
Task 353 of 4096 (0,0,2,3,0,1) R03-M1-N11-J05
Task 354 of 4096 (0,0,2,3,0,2) R03-M1-N11-J05
Task 355 of 4096 (0,0,2,3,0,3) R03-M1-N11-J05
Task 356 of 4096 (0,0,2,3,0,4) R03-M1-N11-J05
Task 357 of 4096 (0,0,2,3,0,5) R03-M1-N11-J05
Task 358 of 4096 (0,0,2,3,0,6) R03-M1-N11-J05
Task 359 of 4096 (0,0,2,3,0,7) R03-M1-N11-J05
Task 360 of 4096 (0,0,2,3,0,8) R03-M1-N11-J05
Task 361 of 4096 (0,0,2,3,0,9) R03-M1-N11-J05
Task 362 of 4096 (0,0,2,3,0,10) R03-M1-N11-J05
Task 363 of 4096 (0,0,2,3,0,11) R03-M1-N11-J05
Task 364 of 4096 (0,0,2,3,0,12) R03-M1-N11-J05
Task 365 of 4096 (0,0,2,3,0,13) R03-M1-N11-J05
Task 366 of 4096 (0,0,2,3,0,14) R03-M1-N11-J05
Task 367 of 4096 (0,0,2,3,0,15) R03-M1-N11-J05
Task 368 of 4096 (0,0,2,3,1,0) R03-M1-N11-J02
Task 369 of 4096 (0,0,2,3,1,1) R03-M1-N11-J02
Task 370 of 4096 (0,0,2,3,1,2) R03-M1-N11-J02
Task 371 of 4096 (0,0,2,3,1,3) R03-M1-N11-J02
Task 372 of 4096 (0,0,2,3,1,4) R03-M1-N11-J02
Task 373 of 4096 (0,0,2,3,1,5) R03-M1-N11-J02
Task 374 of 4096 (0,0,2,3,1,6) R03-M1-N11-J02
Task 375 of 4096 (0,0,2,3,1,7) R03-M1-N11-J02
Task 376 of 4096 (0,0,2,3,1,8) R03-M1-N11-J02
Task 377 of 4096 (0,0,2,3,1,9) R03-M1-N11-J02
Task 378 of 4096 (0,0,2,3,1,10) R03-M1-N11-J02
Task 379 of 4096 (0,0,2,3,1,11) R03-M1-N11-J02
Task 380 of 4096 (0,0,2,3,1,12) R03-M1-N11-J02
Task 381 of 4096 (0,0,2,3,1,13) R03-M1-N11-J02
Task 382 of 4096 (0,0,2,3,1,14) R03-M1-N11-J02
Task 383 of 4096 (0,0,2,3,1,15) R03-M1-N11-J02
Task 384 of 4096 (0,0,3,0,0,0) R03-M1-N09-J04
Task 385 of 4096 (0,0,3,0,0,1) R03-M1-N09-J04
Task 386 of 4096 (0,0,3,0,0,2) R03-M1-N09-J04
Task 387 of 4096 (0,0,3,0,0,3) R03-M1-N09-J04
Task 388 of 4096 (0,0,3,0,0,4) R03-M1-N09-J04
Task 389 of 4096 (0,0,3,0,0,5) R03-M1-N09-J04
Task 390 of 4096 (0,0,3,0,0,6) R03-M1-N09-J04
Task 391 of 4096 (0,0,3,0,0,7) R03-M1-N09-J04
Task 392 of 4096 (0,0,3,0,0,8) R03-M1-N09-J04
Task 393 of 4096 (0,0,3,0,0,9) R03-M1-N09-J04
Task 394 of 4096 (0,0,3,0,0,10) R03-M1-N09-J04
Task 395 of 4096 (0,0,3,0,0,11) R03-M1-N09-J04
Task 396 of 4096 (0,0,3,0,0,12) R03-M1-N09-J04
Task 397 of 4096 (0,0,3,0,0,13) R03-M1-N09-J04
Task 398 of 4096 (0,0,3,0,0,14) R03-M1-N09-J04
Task 399 of 4096 (0,0,3,0,0,15) R03-M1-N09-J04
Task 400 of 4096 (0,0,3,0,1,0) R03-M1-N09-J03
Task 401 of 4096 (0,0,3,0,1,1) R03-M1-N09-J03
Task 402 of 4096 (0,0,3,0,1,2) R03-M1-N09-J03
Task 403 of 4096 (0,0,3,0,1,3) R03-M1-N09-J03
Task 404 of 4096 (0,0,3,0,1,4) R03-M1-N09-J03
Task 405 of 4096 (0,0,3,0,1,5) R03-M1-N09-J03
Task 406 of 4096 (0,0,3,0,1,6) R03-M1-N09-J03
Task 407 of 4096 (0,0,3,0,1,7) R03-M1-N09-J03
Task 408 of 4096 (0,0,3,0,1,8) R03-M1-N09-J03
Task 409 of 4096 (0,0,3,0,1,9) R03-M1-N09-J03
Task 410 of 4096 (0,0,3,0,1,10) R03-M1-N09-J03
Task 411 of 4096 (0,0,3,0,1,11) R03-M1-N09-J03
Task 412 of 4096 (0,0,3,0,1,12) R03-M1-N09-J03
Task 413 of 4096 (0,0,3,0,1,13) R03-M1-N09-J03
Task 414 of 4096 (0,0,3,0,1,14) R03-M1-N09-J03
Task 415 of 4096 (0,0,3,0,1,15) R03-M1-N09-J03
Task 416 of 4096 (0,0,3,1,0,0) R03-M1-N09-J08
Task 417 of 4096 (0,0,3,1,0,1) R03-M1-N09-J08
Task 418 of 4096 (0,0,3,1,0,2) R03-M1-N09-J08
Task 419 of 4096 (0,0,3,1,0,3) R03-M1-N09-J08
Task 420 of 4096 (0,0,3,1,0,4) R03-M1-N09-J08
Task 421 of 4096 (0,0,3,1,0,5) R03-M1-N09-J08
Task 422 of 4096 (0,0,3,1,0,6) R03-M1-N09-J08
Task 423 of 4096 (0,0,3,1,0,7) R03-M1-N09-J08
Task 424 of 4096 (0,0,3,1,0,8) R03-M1-N09-J08
Task 425 of 4096 (0,0,3,1,0,9) R03-M1-N09-J08
Task 426 of 4096 (0,0,3,1,0,10) R03-M1-N09-J08
Task 427 of 4096 (0,0,3,1,0,11) R03-M1-N09-J08
Task 428 of 4096 (0,0,3,1,0,12) R03-M1-N09-J08
Task 429 of 4096 (0,0,3,1,0,13) R03-M1-N09-J08
Task 430 of 4096 (0,0,3,1,0,14) R03-M1-N09-J08
Task 431 of 4096 (0,0,3,1,0,15) R03-M1-N09-J08
Task 432 of 4096 (0,0,3,1,1,0) R03-M1-N09-J15
Task 433 of 4096 (0,0,3,1,1,1) R03-M1-N09-J15
Task 434 of 4096 (0,0,3,1,1,2) R03-M1-N09-J15
Task 435 of 4096 (0,0,3,1,1,3) R03-M1-N09-J15
Task 436 of 4096 (0,0,3,1,1,4) R03-M1-N09-J15
Task 437 of 4096 (0,0,3,1,1,5) R03-M1-N09-J15
Task 438 of 4096 (0,0,3,1,1,6) R03-M1-N09-J15
Task 439 of 4096 (0,0,3,1,1,7) R03-M1-N09-J15
Task 440 of 4096 (0,0,3,1,1,8) R03-M1-N09-J15
Task 441 of 4096 (0,0,3,1,1,9) R03-M1-N09-J15
Task 442 of 4096 (0,0,3,1,1,10) R03-M1-N09-J15
Task 443 of 4096 (0,0,3,1,1,11) R03-M1-N09-J15
Task 444 of 4096 (0,0,3,1,1,12) R03-M1-N09-J15
Task 445 of 4096 (0,0,3,1,1,13) R03-M1-N09-J15
Task 446 of 4096 (0,0,3,1,1,14) R03-M1-N09-J15
Task 447 of 4096 (0,0,3,1,1,15) R03-M1-N09-J15
Task 448 of 4096 (0,0,3,2,0,0) R03-M1-N11-J08
Task 449 of 4096 (0,0,3,2,0,1) R03-M1-N11-J08
Task 450 of 4096 (0,0,3,2,0,2) R03-M1-N11-J08
Task 451 of 4096 (0,0,3,2,0,3) R03-M1-N11-J08
Task 452 of 4096 (0,0,3,2,0,4) R03-M1-N11-J08
Task 453 of 4096 (0,0,3,2,0,5) R03-M1-N11-J08
Task 454 of 4096 (0,0,3,2,0,6) R03-M1-N11-J08
Task 455 of 4096 (0,0,3,2,0,7) R03-M1-N11-J08
Task 456 of 4096 (0,0,3,2,0,8) R03-M1-N11-J08
Task 457 of 4096 (0,0,3,2,0,9) R03-M1-N11-J08
Task 458 of 4096 (0,0,3,2,0,10) R03-M1-N11-J08
Task 459 of 4096 (0,0,3,2,0,11) R03-M1-N11-J08
Task 460 of 4096 (0,0,3,2,0,12) R03-M1-N11-J08
Task 461 of 4096 (0,0,3,2,0,13) R03-M1-N11-J08
Task 462 of 4096 (0,0,3,2,0,14) R03-M1-N11-J08
Task 463 of 4096 (0,0,3,2,0,15) R03-M1-N11-J08
Task 464 of 4096 (0,0,3,2,1,0) R03-M1-N11-J15
Task 465 of 4096 (0,0,3,2,1,1) R03-M1-N11-J15
Task 466 of 4096 (0,0,3,2,1,2) R03-M1-N11-J15
Task 467 of 4096 (0,0,3,2,1,3) R03-M1-N11-J15
Task 468 of 4096 (0,0,3,2,1,4) R03-M1-N11-J15
Task 469 of 4096 (0,0,3,2,1,5) R03-M1-N11-J15
Task 470 of 4096 (0,0,3,2,1,6) R03-M1-N11-J15
Task 471 of 4096 (0,0,3,2,1,7) R03-M1-N11-J15
Task 472 of 4096 (0,0,3,2,1,8) R03-M1-N11-J15
Task 473 of 4096 (0,0,3,2,1,9) R03-M1-N11-J15
Task 474 of 4096 (0,0,3,2,1,10) R03-M1-N11-J15
Task 475 of 4096 (0,0,3,2,1,11) R03-M1-N11-J15
Task 476 of 4096 (0,0,3,2,1,12) R03-M1-N11-J15
Task 477 of 4096 (0,0,3,2,1,13) R03-M1-N11-J15
Task 478 of 4096 (0,0,3,2,1,14) R03-M1-N11-J15
Task 479 of 4096 (0,0,3,2,1,15) R03-M1-N11-J15
Task 480 of 4096 (0,0,3,3,0,0) R03-M1-N11-J04
Task 481 of 4096 (0,0,3,3,0,1) R03-M1-N11-J04
Task 482 of 4096 (0,0,3,3,0,2) R03-M1-N11-J04
Task 483 of 4096 (0,0,3,3,0,3) R03-M1-N11-J04
Task 484 of 4096 (0,0,3,3,0,4) R03-M1-N11-J04
Task 485 of 4096 (0,0,3,3,0,5) R03-M1-N11-J04
Task 486 of 4096 (0,0,3,3,0,6) R03-M1-N11-J04
Task 487 of 4096 (0,0,3,3,0,7) R03-M1-N11-J04
Task 488 of 4096 (0,0,3,3,0,8) R03-M1-N11-J04
Task 489 of 4096 (0,0,3,3,0,9) R03-M1-N11-J04
Task 490 of 4096 (0,0,3,3,0,10) R03-M1-N11-J04
Task 491 of 4096 (0,0,3,3,0,11) R03-M1-N11-J04
Task 492 of 4096 (0,0,3,3,0,12) R03-M1-N11-J04
Task 493 of 4096 (0,0,3,3,0,13) R03-M1-N11-J04
Task 494 of 4096 (0,0,3,3,0,14) R03-M1-N11-J04
Task 495 of 4096 (0,0,3,3,0,15) R03-M1-N11-J04
Task 496 of 4096 (0,0,3,3,1,0) R03-M1-N11-J03
Task 497 of 4096 (0,0,3,3,1,1) R03-M1-N11-J03
Task 498 of 4096 (0,0,3,3,1,2) R03-M1-N11-J03
Task 499 of 4096 (0,0,3,3,1,3) R03-M1-N11-J03
Task 500 of 4096 (0,0,3,3,1,4) R03-M1-N11-J03
Task 501 of 4096 (0,0,3,3,1,5) R03-M1-N11-J03
Task 502 of 4096 (0,0,3,3,1,6) R03-M1-N11-J03
Task 503 of 4096 (0,0,3,3,1,7) R03-M1-N11-J03
Task 504 of 4096 (0,0,3,3,1,8) R03-M1-N11-J03
Task 505 of 4096 (0,0,3,3,1,9) R03-M1-N11-J03
Task 506 of 4096 (0,0,3,3,1,10) R03-M1-N11-J03
Task 507 of 4096 (0,0,3,3,1,11) R03-M1-N11-J03
Task 508 of 4096 (0,0,3,3,1,12) R03-M1-N11-J03
Task 509 of 4096 (0,0,3,3,1,13) R03-M1-N11-J03
Task 510 of 4096 (0,0,3,3,1,14) R03-M1-N11-J03
Task 511 of 4096 (0,0,3,3,1,15) R03-M1-N11-J03
Task 512 of 4096 (0,1,0,0,0,0) R03-M1-N08-J07
Task 513 of 4096 (0,1,0,0,0,1) R03-M1-N08-J07
Task 514 of 4096 (0,1,0,0,0,2) R03-M1-N08-J07
Task 515 of 4096 (0,1,0,0,0,3) R03-M1-N08-J07
Task 516 of 4096 (0,1,0,0,0,4) R03-M1-N08-J07
Task 517 of 4096 (0,1,0,0,0,5) R03-M1-N08-J07
Task 518 of 4096 (0,1,0,0,0,6) R03-M1-N08-J07
Task 519 of 4096 (0,1,0,0,0,7) R03-M1-N08-J07
Task 520 of 4096 (0,1,0,0,0,8) R03-M1-N08-J07
Task 521 of 4096 (0,1,0,0,0,9) R03-M1-N08-J07
Task 522 of 4096 (0,1,0,0,0,10) R03-M1-N08-J07
Task 523 of 4096 (0,1,0,0,0,11) R03-M1-N08-J07
Task 524 of 4096 (0,1,0,0,0,12) R03-M1-N08-J07
Task 525 of 4096 (0,1,0,0,0,13) R03-M1-N08-J07
Task 526 of 4096 (0,1,0,0,0,14) R03-M1-N08-J07
Task 527 of 4096 (0,1,0,0,0,15) R03-M1-N08-J07
Task 528 of 4096 (0,1,0,0,1,0) R03-M1-N08-J00
Task 529 of 4096 (0,1,0,0,1,1) R03-M1-N08-J00
Task 530 of 4096 (0,1,0,0,1,2) R03-M1-N08-J00
Task 531 of 4096 (0,1,0,0,1,3) R03-M1-N08-J00
Task 532 of 4096 (0,1,0,0,1,4) R03-M1-N08-J00
Task 533 of 4096 (0,1,0,0,1,5) R03-M1-N08-J00
Task 534 of 4096 (0,1,0,0,1,6) R03-M1-N08-J00
Task 535 of 4096 (0,1,0,0,1,7) R03-M1-N08-J00
Task 536 of 4096 (0,1,0,0,1,8) R03-M1-N08-J00
Task 537 of 4096 (0,1,0,0,1,9) R03-M1-N08-J00
Task 538 of 4096 (0,1,0,0,1,10) R03-M1-N08-J00
Task 539 of 4096 (0,1,0,0,1,11) R03-M1-N08-J00
Task 540 of 4096 (0,1,0,0,1,12) R03-M1-N08-J00
Task 541 of 4096 (0,1,0,0,1,13) R03-M1-N08-J00
Task 542 of 4096 (0,1,0,0,1,14) R03-M1-N08-J00
Task 543 of 4096 (0,1,0,0,1,15) R03-M1-N08-J00
Task 544 of 4096 (0,1,0,1,0,0) R03-M1-N08-J11
Task 545 of 4096 (0,1,0,1,0,1) R03-M1-N08-J11
Task 546 of 4096 (0,1,0,1,0,2) R03-M1-N08-J11
Task 547 of 4096 (0,1,0,1,0,3) R03-M1-N08-J11
Task 548 of 4096 (0,1,0,1,0,4) R03-M1-N08-J11
Task 549 of 4096 (0,1,0,1,0,5) R03-M1-N08-J11
Task 550 of 4096 (0,1,0,1,0,6) R03-M1-N08-J11
Task 551 of 4096 (0,1,0,1,0,7) R03-M1-N08-J11
Task 552 of 4096 (0,1,0,1,0,8) R03-M1-N08-J11
Task 553 of 4096 (0,1,0,1,0,9) R03-M1-N08-J11
Task 554 of 4096 (0,1,0,1,0,10) R03-M1-N08-J11
Task 555 of 4096 (0,1,0,1,0,11) R03-M1-N08-J11
Task 556 of 4096 (0,1,0,1,0,12) R03-M1-N08-J11
Task 557 of 4096 (0,1,0,1,0,13) R03-M1-N08-J11
Task 558 of 4096 (0,1,0,1,0,14) R03-M1-N08-J11
Task 559 of 4096 (0,1,0,1,0,15) R03-M1-N08-J11
Task 560 of 4096 (0,1,0,1,1,0) R03-M1-N08-J12
Task 561 of 4096 (0,1,0,1,1,1) R03-M1-N08-J12
Task 562 of 4096 (0,1,0,1,1,2) R03-M1-N08-J12
Task 563 of 4096 (0,1,0,1,1,3) R03-M1-N08-J12
Task 564 of 4096 (0,1,0,1,1,4) R03-M1-N08-J12
Task 565 of 4096 (0,1,0,1,1,5) R03-M1-N08-J12
Task 566 of 4096 (0,1,0,1,1,6) R03-M1-N08-J12
Task 567 of 4096 (0,1,0,1,1,7) R03-M1-N08-J12
Task 568 of 4096 (0,1,0,1,1,8) R03-M1-N08-J12
Task 569 of 4096 (0,1,0,1,1,9) R03-M1-N08-J12
Task 570 of 4096 (0,1,0,1,1,10) R03-M1-N08-J12
Task 571 of 4096 (0,1,0,1,1,11) R03-M1-N08-J12
Task 572 of 4096 (0,1,0,1,1,12) R03-M1-N08-J12
Task 573 of 4096 (0,1,0,1,1,13) R03-M1-N08-J12
Task 574 of 4096 (0,1,0,1,1,14) R03-M1-N08-J12
Task 575 of 4096 (0,1,0,1,1,15) R03-M1-N08-J12
Task 576 of 4096 (0,1,0,2,0,0) R03-M1-N10-J11
Task 577 of 4096 (0,1,0,2,0,1) R03-M1-N10-J11
Task 578 of 4096 (0,1,0,2,0,2) R03-M1-N10-J11
Task 579 of 4096 (0,1,0,2,0,3) R03-M1-N10-J11
Task 580 of 4096 (0,1,0,2,0,4) R03-M1-N10-J11
Task 581 of 4096 (0,1,0,2,0,5) R03-M1-N10-J11
Task 582 of 4096 (0,1,0,2,0,6) R03-M1-N10-J11
Task 583 of 4096 (0,1,0,2,0,7) R03-M1-N10-J11
Task 584 of 4096 (0,1,0,2,0,8) R03-M1-N10-J11
Task 585 of 4096 (0,1,0,2,0,9) R03-M1-N10-J11
Task 586 of 4096 (0,1,0,2,0,10) R03-M1-N10-J11
Task 587 of 4096 (0,1,0,2,0,11) R03-M1-N10-J11
Task 588 of 4096 (0,1,0,2,0,12) R03-M1-N10-J11
Task 589 of 4096 (0,1,0,2,0,13) R03-M1-N10-J11
Task 590 of 4096 (0,1,0,2,0,14) R03-M1-N10-J11
Task 591 of 4096 (0,1,0,2,0,15) R03-M1-N10-J11
Task 592 of 4096 (0,1,0,2,1,0) R03-M1-N10-J12
Task 593 of 4096 (0,1,0,2,1,1) R03-M1-N10-J12
Task 594 of 4096 (0,1,0,2,1,2) R03-M1-N10-J12
Task 595 of 4096 (0,1,0,2,1,3) R03-M1-N10-J12
Task 596 of 4096 (0,1,0,2,1,4) R03-M1-N10-J12
Task 597 of 4096 (0,1,0,2,1,5) R03-M1-N10-J12
Task 598 of 4096 (0,1,0,2,1,6) R03-M1-N10-J12
Task 599 of 4096 (0,1,0,2,1,7) R03-M1-N10-J12
Task 600 of 4096 (0,1,0,2,1,8) R03-M1-N10-J12
Task 601 of 4096 (0,1,0,2,1,9) R03-M1-N10-J12
Task 602 of 4096 (0,1,0,2,1,10) R03-M1-N10-J12
Task 603 of 4096 (0,1,0,2,1,11) R03-M1-N10-J12
Task 604 of 4096 (0,1,0,2,1,12) R03-M1-N10-J12
Task 605 of 4096 (0,1,0,2,1,13) R03-M1-N10-J12
Task 606 of 4096 (0,1,0,2,1,14) R03-M1-N10-J12
Task 607 of 4096 (0,1,0,2,1,15) R03-M1-N10-J12
Task 608 of 4096 (0,1,0,3,0,0) R03-M1-N10-J07
Task 609 of 4096 (0,1,0,3,0,1) R03-M1-N10-J07
Task 610 of 4096 (0,1,0,3,0,2) R03-M1-N10-J07
Task 611 of 4096 (0,1,0,3,0,3) R03-M1-N10-J07
Task 612 of 4096 (0,1,0,3,0,4) R03-M1-N10-J07
Task 613 of 4096 (0,1,0,3,0,5) R03-M1-N10-J07
Task 614 of 4096 (0,1,0,3,0,6) R03-M1-N10-J07
Task 615 of 4096 (0,1,0,3,0,7) R03-M1-N10-J07
Task 616 of 4096 (0,1,0,3,0,8) R03-M1-N10-J07
Task 617 of 4096 (0,1,0,3,0,9) R03-M1-N10-J07
Task 618 of 4096 (0,1,0,3,0,10) R03-M1-N10-J07
Task 619 of 4096 (0,1,0,3,0,11) R03-M1-N10-J07
Task 620 of 4096 (0,1,0,3,0,12) R03-M1-N10-J07
Task 621 of 4096 (0,1,0,3,0,13) R03-M1-N10-J07
Task 622 of 4096 (0,1,0,3,0,14) R03-M1-N10-J07
Task 623 of 4096 (0,1,0,3,0,15) R03-M1-N10-J07
Task 624 of 4096 (0,1,0,3,1,0) R03-M1-N10-J00
Task 625 of 4096 (0,1,0,3,1,1) R03-M1-N10-J00
Task 626 of 4096 (0,1,0,3,1,2) R03-M1-N10-J00
Task 627 of 4096 (0,1,0,3,1,3) R03-M1-N10-J00
Task 628 of 4096 (0,1,0,3,1,4) R03-M1-N10-J00
Task 629 of 4096 (0,1,0,3,1,5) R03-M1-N10-J00
Task 630 of 4096 (0,1,0,3,1,6) R03-M1-N10-J00
Task 631 of 4096 (0,1,0,3,1,7) R03-M1-N10-J00
Task 632 of 4096 (0,1,0,3,1,8) R03-M1-N10-J00
Task 633 of 4096 (0,1,0,3,1,9) R03-M1-N10-J00
Task 634 of 4096 (0,1,0,3,1,10) R03-M1-N10-J00
Task 635 of 4096 (0,1,0,3,1,11) R03-M1-N10-J00
Task 636 of 4096 (0,1,0,3,1,12) R03-M1-N10-J00
Task 637 of 4096 (0,1,0,3,1,13) R03-M1-N10-J00
Task 638 of 4096 (0,1,0,3,1,14) R03-M1-N10-J00
Task 639 of 4096 (0,1,0,3,1,15) R03-M1-N10-J00
Task 640 of 4096 (0,1,1,0,0,0) R03-M1-N08-J06
Task 641 of 4096 (0,1,1,0,0,1) R03-M1-N08-J06
Task 642 of 4096 (0,1,1,0,0,2) R03-M1-N08-J06
Task 643 of 4096 (0,1,1,0,0,3) R03-M1-N08-J06
Task 644 of 4096 (0,1,1,0,0,4) R03-M1-N08-J06
Task 645 of 4096 (0,1,1,0,0,5) R03-M1-N08-J06
Task 646 of 4096 (0,1,1,0,0,6) R03-M1-N08-J06
Task 647 of 4096 (0,1,1,0,0,7) R03-M1-N08-J06
Task 648 of 4096 (0,1,1,0,0,8) R03-M1-N08-J06
Task 649 of 4096 (0,1,1,0,0,9) R03-M1-N08-J06
Task 650 of 4096 (0,1,1,0,0,10) R03-M1-N08-J06
Task 651 of 4096 (0,1,1,0,0,11) R03-M1-N08-J06
Task 652 of 4096 (0,1,1,0,0,12) R03-M1-N08-J06
Task 653 of 4096 (0,1,1,0,0,13) R03-M1-N08-J06
Task 654 of 4096 (0,1,1,0,0,14) R03-M1-N08-J06
Task 655 of 4096 (0,1,1,0,0,15) R03-M1-N08-J06
Task 656 of 4096 (0,1,1,0,1,0) R03-M1-N08-J01
Task 657 of 4096 (0,1,1,0,1,1) R03-M1-N08-J01
Task 658 of 4096 (0,1,1,0,1,2) R03-M1-N08-J01
Task 659 of 4096 (0,1,1,0,1,3) R03-M1-N08-J01
Task 660 of 4096 (0,1,1,0,1,4) R03-M1-N08-J01
Task 661 of 4096 (0,1,1,0,1,5) R03-M1-N08-J01
Task 662 of 4096 (0,1,1,0,1,6) R03-M1-N08-J01
Task 663 of 4096 (0,1,1,0,1,7) R03-M1-N08-J01
Task 664 of 4096 (0,1,1,0,1,8) R03-M1-N08-J01
Task 665 of 4096 (0,1,1,0,1,9) R03-M1-N08-J01
Task 666 of 4096 (0,1,1,0,1,10) R03-M1-N08-J01
Task 667 of 4096 (0,1,1,0,1,11) R03-M1-N08-J01
Task 668 of 4096 (0,1,1,0,1,12) R03-M1-N08-J01
Task 669 of 4096 (0,1,1,0,1,13) R03-M1-N08-J01
Task 670 of 4096 (0,1,1,0,1,14) R03-M1-N08-J01
Task 671 of 4096 (0,1,1,0,1,15) R03-M1-N08-J01
Task 672 of 4096 (0,1,1,1,0,0) R03-M1-N08-J10
Task 673 of 4096 (0,1,1,1,0,1) R03-M1-N08-J10
Task 674 of 4096 (0,1,1,1,0,2) R03-M1-N08-J10
Task 675 of 4096 (0,1,1,1,0,3) R03-M1-N08-J10
Task 676 of 4096 (0,1,1,1,0,4) R03-M1-N08-J10
Task 677 of 4096 (0,1,1,1,0,5) R03-M1-N08-J10
Task 678 of 4096 (0,1,1,1,0,6) R03-M1-N08-J10
Task 679 of 4096 (0,1,1,1,0,7) R03-M1-N08-J10
Task 680 of 4096 (0,1,1,1,0,8) R03-M1-N08-J10
Task 681 of 4096 (0,1,1,1,0,9) R03-M1-N08-J10
Task 682 of 4096 (0,1,1,1,0,10) R03-M1-N08-J10
Task 683 of 4096 (0,1,1,1,0,11) R03-M1-N08-J10
Task 684 of 4096 (0,1,1,1,0,12) R03-M1-N08-J10
Task 685 of 4096 (0,1,1,1,0,13) R03-M1-N08-J10
Task 686 of 4096 (0,1,1,1,0,14) R03-M1-N08-J10
Task 687 of 4096 (0,1,1,1,0,15) R03-M1-N08-J10
Task 688 of 4096 (0,1,1,1,1,0) R03-M1-N08-J13
Task 689 of 4096 (0,1,1,1,1,1) R03-M1-N08-J13
Task 690 of 4096 (0,1,1,1,1,2) R03-M1-N08-J13
Task 691 of 4096 (0,1,1,1,1,3) R03-M1-N08-J13
Task 692 of 4096 (0,1,1,1,1,4) R03-M1-N08-J13
Task 693 of 4096 (0,1,1,1,1,5) R03-M1-N08-J13
Task 694 of 4096 (0,1,1,1,1,6) R03-M1-N08-J13
Task 695 of 4096 (0,1,1,1,1,7) R03-M1-N08-J13
Task 696 of 4096 (0,1,1,1,1,8) R03-M1-N08-J13
Task 697 of 4096 (0,1,1,1,1,9) R03-M1-N08-J13
Task 698 of 4096 (0,1,1,1,1,10) R03-M1-N08-J13
Task 699 of 4096 (0,1,1,1,1,11) R03-M1-N08-J13
Task 700 of 4096 (0,1,1,1,1,12) R03-M1-N08-J13
Task 701 of 4096 (0,1,1,1,1,13) R03-M1-N08-J13
Task 702 of 4096 (0,1,1,1,1,14) R03-M1-N08-J13
Task 703 of 4096 (0,1,1,1,1,15) R03-M1-N08-J13
Task 704 of 4096 (0,1,1,2,0,0) R03-M1-N10-J10
Task 705 of 4096 (0,1,1,2,0,1) R03-M1-N10-J10
Task 706 of 4096 (0,1,1,2,0,2) R03-M1-N10-J10
Task 707 of 4096 (0,1,1,2,0,3) R03-M1-N10-J10
Task 708 of 4096 (0,1,1,2,0,4) R03-M1-N10-J10
Task 709 of 4096 (0,1,1,2,0,5) R03-M1-N10-J10
Task 710 of 4096 (0,1,1,2,0,6) R03-M1-N10-J10
Task 711 of 4096 (0,1,1,2,0,7) R03-M1-N10-J10
Task 712 of 4096 (0,1,1,2,0,8) R03-M1-N10-J10
Task 713 of 4096 (0,1,1,2,0,9) R03-M1-N10-J10
Task 714 of 4096 (0,1,1,2,0,10) R03-M1-N10-J10
Task 715 of 4096 (0,1,1,2,0,11) R03-M1-N10-J10
Task 716 of 4096 (0,1,1,2,0,12) R03-M1-N10-J10
Task 717 of 4096 (0,1,1,2,0,13) R03-M1-N10-J10
Task 718 of 4096 (0,1,1,2,0,14) R03-M1-N10-J10
Task 719 of 4096 (0,1,1,2,0,15) R03-M1-N10-J10
Task 720 of 4096 (0,1,1,2,1,0) R03-M1-N10-J13
Task 721 of 4096 (0,1,1,2,1,1) R03-M1-N10-J13
Task 722 of 4096 (0,1,1,2,1,2) R03-M1-N10-J13
Task 723 of 4096 (0,1,1,2,1,3) R03-M1-N10-J13
Task 724 of 4096 (0,1,1,2,1,4) R03-M1-N10-J13
Task 725 of 4096 (0,1,1,2,1,5) R03-M1-N10-J13
Task 726 of 4096 (0,1,1,2,1,6) R03-M1-N10-J13
Task 727 of 4096 (0,1,1,2,1,7) R03-M1-N10-J13
Task 728 of 4096 (0,1,1,2,1,8) R03-M1-N10-J13
Task 729 of 4096 (0,1,1,2,1,9) R03-M1-N10-J13
Task 730 of 4096 (0,1,1,2,1,10) R03-M1-N10-J13
Task 731 of 4096 (0,1,1,2,1,11) R03-M1-N10-J13
Task 732 of 4096 (0,1,1,2,1,12) R03-M1-N10-J13
Task 733 of 4096 (0,1,1,2,1,13) R03-M1-N10-J13
Task 734 of 4096 (0,1,1,2,1,14) R03-M1-N10-J13
Task 735 of 4096 (0,1,1,2,1,15) R03-M1-N10-J13
Task 736 of 4096 (0,1,1,3,0,0) R03-M1-N10-J06
Task 737 of 4096 (0,1,1,3,0,1) R03-M1-N10-J06
Task 738 of 4096 (0,1,1,3,0,2) R03-M1-N10-J06
Task 739 of 4096 (0,1,1,3,0,3) R03-M1-N10-J06
Task 740 of 4096 (0,1,1,3,0,4) R03-M1-N10-J06
Task 741 of 4096 (0,1,1,3,0,5) R03-M1-N10-J06
Task 742 of 4096 (0,1,1,3,0,6) R03-M1-N10-J06
Task 743 of 4096 (0,1,1,3,0,7) R03-M1-N10-J06
Task 744 of 4096 (0,1,1,3,0,8) R03-M1-N10-J06
Task 745 of 4096 (0,1,1,3,0,9) R03-M1-N10-J06
Task 746 of 4096 (0,1,1,3,0,10) R03-M1-N10-J06
Task 747 of 4096 (0,1,1,3,0,11) R03-M1-N10-J06
Task 748 of 4096 (0,1,1,3,0,12) R03-M1-N10-J06
Task 749 of 4096 (0,1,1,3,0,13) R03-M1-N10-J06
Task 750 of 4096 (0,1,1,3,0,14) R03-M1-N10-J06
Task 751 of 4096 (0,1,1,3,0,15) R03-M1-N10-J06
Task 752 of 4096 (0,1,1,3,1,0) R03-M1-N10-J01
Task 753 of 4096 (0,1,1,3,1,1) R03-M1-N10-J01
Task 754 of 4096 (0,1,1,3,1,2) R03-M1-N10-J01
Task 755 of 4096 (0,1,1,3,1,3) R03-M1-N10-J01
Task 756 of 4096 (0,1,1,3,1,4) R03-M1-N10-J01
Task 757 of 4096 (0,1,1,3,1,5) R03-M1-N10-J01
Task 758 of 4096 (0,1,1,3,1,6) R03-M1-N10-J01
Task 759 of 4096 (0,1,1,3,1,7) R03-M1-N10-J01
Task 760 of 4096 (0,1,1,3,1,8) R03-M1-N10-J01
Task 761 of 4096 (0,1,1,3,1,9) R03-M1-N10-J01
Task 762 of 4096 (0,1,1,3,1,10) R03-M1-N10-J01
Task 763 of 4096 (0,1,1,3,1,11) R03-M1-N10-J01
Task 764 of 4096 (0,1,1,3,1,12) R03-M1-N10-J01
Task 765 of 4096 (0,1,1,3,1,13) R03-M1-N10-J01
Task 766 of 4096 (0,1,1,3,1,14) R03-M1-N10-J01
Task 767 of 4096 (0,1,1,3,1,15) R03-M1-N10-J01
Task 768 of 4096 (0,1,2,0,0,0) R03-M1-N09-J06
Task 769 of 4096 (0,1,2,0,0,1) R03-M1-N09-J06
Task 770 of 4096 (0,1,2,0,0,2) R03-M1-N09-J06
Task 771 of 4096 (0,1,2,0,0,3) R03-M1-N09-J06
Task 772 of 4096 (0,1,2,0,0,4) R03-M1-N09-J06
Task 773 of 4096 (0,1,2,0,0,5) R03-M1-N09-J06
Task 774 of 4096 (0,1,2,0,0,6) R03-M1-N09-J06
Task 775 of 4096 (0,1,2,0,0,7) R03-M1-N09-J06
Task 776 of 4096 (0,1,2,0,0,8) R03-M1-N09-J06
Task 777 of 4096 (0,1,2,0,0,9) R03-M1-N09-J06
Task 778 of 4096 (0,1,2,0,0,10) R03-M1-N09-J06
Task 779 of 4096 (0,1,2,0,0,11) R03-M1-N09-J06
Task 780 of 4096 (0,1,2,0,0,12) R03-M1-N09-J06
Task 781 of 4096 (0,1,2,0,0,13) R03-M1-N09-J06
Task 782 of 4096 (0,1,2,0,0,14) R03-M1-N09-J06
Task 783 of 4096 (0,1,2,0,0,15) R03-M1-N09-J06
Task 784 of 4096 (0,1,2,0,1,0) R03-M1-N09-J01
Task 785 of 4096 (0,1,2,0,1,1) R03-M1-N09-J01
Task 786 of 4096 (0,1,2,0,1,2) R03-M1-N09-J01
Task 787 of 4096 (0,1,2,0,1,3) R03-M1-N09-J01
Task 788 of 4096 (0,1,2,0,1,4) R03-M1-N09-J01
Task 789 of 4096 (0,1,2,0,1,5) R03-M1-N09-J01
Task 790 of 4096 (0,1,2,0,1,6) R03-M1-N09-J01
Task 791 of 4096 (0,1,2,0,1,7) R03-M1-N09-J01
Task 792 of 4096 (0,1,2,0,1,8) R03-M1-N09-J01
Task 793 of 4096 (0,1,2,0,1,9) R03-M1-N09-J01
Task 794 of 4096 (0,1,2,0,1,10) R03-M1-N09-J01
Task 795 of 4096 (0,1,2,0,1,11) R03-M1-N09-J01
Task 796 of 4096 (0,1,2,0,1,12) R03-M1-N09-J01
Task 797 of 4096 (0,1,2,0,1,13) R03-M1-N09-J01
Task 798 of 4096 (0,1,2,0,1,14) R03-M1-N09-J01
Task 799 of 4096 (0,1,2,0,1,15) R03-M1-N09-J01
Task 800 of 4096 (0,1,2,1,0,0) R03-M1-N09-J10
Task 801 of 4096 (0,1,2,1,0,1) R03-M1-N09-J10
Task 802 of 4096 (0,1,2,1,0,2) R03-M1-N09-J10
Task 803 of 4096 (0,1,2,1,0,3) R03-M1-N09-J10
Task 804 of 4096 (0,1,2,1,0,4) R03-M1-N09-J10
Task 805 of 4096 (0,1,2,1,0,5) R03-M1-N09-J10
Task 806 of 4096 (0,1,2,1,0,6) R03-M1-N09-J10
Task 807 of 4096 (0,1,2,1,0,7) R03-M1-N09-J10
Task 808 of 4096 (0,1,2,1,0,8) R03-M1-N09-J10
Task 809 of 4096 (0,1,2,1,0,9) R03-M1-N09-J10
Task 810 of 4096 (0,1,2,1,0,10) R03-M1-N09-J10
Task 811 of 4096 (0,1,2,1,0,11) R03-M1-N09-J10
Task 812 of 4096 (0,1,2,1,0,12) R03-M1-N09-J10
Task 813 of 4096 (0,1,2,1,0,13) R03-M1-N09-J10
Task 814 of 4096 (0,1,2,1,0,14) R03-M1-N09-J10
Task 815 of 4096 (0,1,2,1,0,15) R03-M1-N09-J10
Task 816 of 4096 (0,1,2,1,1,0) R03-M1-N09-J13
Task 817 of 4096 (0,1,2,1,1,1) R03-M1-N09-J13
Task 818 of 4096 (0,1,2,1,1,2) R03-M1-N09-J13
Task 819 of 4096 (0,1,2,1,1,3) R03-M1-N09-J13
Task 820 of 4096 (0,1,2,1,1,4) R03-M1-N09-J13
Task 821 of 4096 (0,1,2,1,1,5) R03-M1-N09-J13
Task 822 of 4096 (0,1,2,1,1,6) R03-M1-N09-J13
Task 823 of 4096 (0,1,2,1,1,7) R03-M1-N09-J13
Task 824 of 4096 (0,1,2,1,1,8) R03-M1-N09-J13
Task 825 of 4096 (0,1,2,1,1,9) R03-M1-N09-J13
Task 826 of 4096 (0,1,2,1,1,10) R03-M1-N09-J13
Task 827 of 4096 (0,1,2,1,1,11) R03-M1-N09-J13
Task 828 of 4096 (0,1,2,1,1,12) R03-M1-N09-J13
Task 829 of 4096 (0,1,2,1,1,13) R03-M1-N09-J13
Task 830 of 4096 (0,1,2,1,1,14) R03-M1-N09-J13
Task 831 of 4096 (0,1,2,1,1,15) R03-M1-N09-J13
Task 832 of 4096 (0,1,2,2,0,0) R03-M1-N11-J10
Task 833 of 4096 (0,1,2,2,0,1) R03-M1-N11-J10
Task 834 of 4096 (0,1,2,2,0,2) R03-M1-N11-J10
Task 835 of 4096 (0,1,2,2,0,3) R03-M1-N11-J10
Task 836 of 4096 (0,1,2,2,0,4) R03-M1-N11-J10
Task 837 of 4096 (0,1,2,2,0,5) R03-M1-N11-J10
Task 838 of 4096 (0,1,2,2,0,6) R03-M1-N11-J10
Task 839 of 4096 (0,1,2,2,0,7) R03-M1-N11-J10
Task 840 of 4096 (0,1,2,2,0,8) R03-M1-N11-J10
Task 841 of 4096 (0,1,2,2,0,9) R03-M1-N11-J10
Task 842 of 4096 (0,1,2,2,0,10) R03-M1-N11-J10
Task 843 of 4096 (0,1,2,2,0,11) R03-M1-N11-J10
Task 844 of 4096 (0,1,2,2,0,12) R03-M1-N11-J10
Task 845 of 4096 (0,1,2,2,0,13) R03-M1-N11-J10
Task 846 of 4096 (0,1,2,2,0,14) R03-M1-N11-J10
Task 847 of 4096 (0,1,2,2,0,15) R03-M1-N11-J10
Task 848 of 4096 (0,1,2,2,1,0) R03-M1-N11-J13
Task 849 of 4096 (0,1,2,2,1,1) R03-M1-N11-J13
Task 850 of 4096 (0,1,2,2,1,2) R03-M1-N11-J13
Task 851 of 4096 (0,1,2,2,1,3) R03-M1-N11-J13
Task 852 of 4096 (0,1,2,2,1,4) R03-M1-N11-J13
Task 853 of 4096 (0,1,2,2,1,5) R03-M1-N11-J13
Task 854 of 4096 (0,1,2,2,1,6) R03-M1-N11-J13
Task 855 of 4096 (0,1,2,2,1,7) R03-M1-N11-J13
Task 856 of 4096 (0,1,2,2,1,8) R03-M1-N11-J13
Task 857 of 4096 (0,1,2,2,1,9) R03-M1-N11-J13
Task 858 of 4096 (0,1,2,2,1,10) R03-M1-N11-J13
Task 859 of 4096 (0,1,2,2,1,11) R03-M1-N11-J13
Task 860 of 4096 (0,1,2,2,1,12) R03-M1-N11-J13
Task 861 of 4096 (0,1,2,2,1,13) R03-M1-N11-J13
Task 862 of 4096 (0,1,2,2,1,14) R03-M1-N11-J13
Task 863 of 4096 (0,1,2,2,1,15) R03-M1-N11-J13
Task 864 of 4096 (0,1,2,3,0,0) R03-M1-N11-J06
Task 865 of 4096 (0,1,2,3,0,1) R03-M1-N11-J06
Task 866 of 4096 (0,1,2,3,0,2) R03-M1-N11-J06
Task 867 of 4096 (0,1,2,3,0,3) R03-M1-N11-J06
Task 868 of 4096 (0,1,2,3,0,4) R03-M1-N11-J06
Task 869 of 4096 (0,1,2,3,0,5) R03-M1-N11-J06
Task 870 of 4096 (0,1,2,3,0,6) R03-M1-N11-J06
Task 871 of 4096 (0,1,2,3,0,7) R03-M1-N11-J06
Task 872 of 4096 (0,1,2,3,0,8) R03-M1-N11-J06
Task 873 of 4096 (0,1,2,3,0,9) R03-M1-N11-J06
Task 874 of 4096 (0,1,2,3,0,10) R03-M1-N11-J06
Task 875 of 4096 (0,1,2,3,0,11) R03-M1-N11-J06
Task 876 of 4096 (0,1,2,3,0,12) R03-M1-N11-J06
Task 877 of 4096 (0,1,2,3,0,13) R03-M1-N11-J06
Task 878 of 4096 (0,1,2,3,0,14) R03-M1-N11-J06
Task 879 of 4096 (0,1,2,3,0,15) R03-M1-N11-J06
Task 880 of 4096 (0,1,2,3,1,0) R03-M1-N11-J01
Task 881 of 4096 (0,1,2,3,1,1) R03-M1-N11-J01
Task 882 of 4096 (0,1,2,3,1,2) R03-M1-N11-J01
Task 883 of 4096 (0,1,2,3,1,3) R03-M1-N11-J01
Task 884 of 4096 (0,1,2,3,1,4) R03-M1-N11-J01
Task 885 of 4096 (0,1,2,3,1,5) R03-M1-N11-J01
Task 886 of 4096 (0,1,2,3,1,6) R03-M1-N11-J01
Task 887 of 4096 (0,1,2,3,1,7) R03-M1-N11-J01
Task 888 of 4096 (0,1,2,3,1,8) R03-M1-N11-J01
Task 889 of 4096 (0,1,2,3,1,9) R03-M1-N11-J01
Task 890 of 4096 (0,1,2,3,1,10) R03-M1-N11-J01
Task 891 of 4096 (0,1,2,3,1,11) R03-M1-N11-J01
Task 892 of 4096 (0,1,2,3,1,12) R03-M1-N11-J01
Task 893 of 4096 (0,1,2,3,1,13) R03-M1-N11-J01
Task 894 of 4096 (0,1,2,3,1,14) R03-M1-N11-J01
Task 895 of 4096 (0,1,2,3,1,15) R03-M1-N11-J01
Task 896 of 4096 (0,1,3,0,0,0) R03-M1-N09-J07
Task 897 of 4096 (0,1,3,0,0,1) R03-M1-N09-J07
Task 898 of 4096 (0,1,3,0,0,2) R03-M1-N09-J07
Task 899 of 4096 (0,1,3,0,0,3) R03-M1-N09-J07
Task 900 of 4096 (0,1,3,0,0,4) R03-M1-N09-J07
Task 901 of 4096 (0,1,3,0,0,5) R03-M1-N09-J07
Task 902 of 4096 (0,1,3,0,0,6) R03-M1-N09-J07
Task 903 of 4096 (0,1,3,0,0,7) R03-M1-N09-J07
Task 904 of 4096 (0,1,3,0,0,8) R03-M1-N09-J07
Task 905 of 4096 (0,1,3,0,0,9) R03-M1-N09-J07
Task 906 of 4096 (0,1,3,0,0,10) R03-M1-N09-J07
Task 907 of 4096 (0,1,3,0,0,11) R03-M1-N09-J07
Task 908 of 4096 (0,1,3,0,0,12) R03-M1-N09-J07
Task 909 of 4096 (0,1,3,0,0,13) R03-M1-N09-J07
Task 910 of 4096 (0,1,3,0,0,14) R03-M1-N09-J07
Task 911 of 4096 (0,1,3,0,0,15) R03-M1-N09-J07
Task 912 of 4096 (0,1,3,0,1,0) R03-M1-N09-J00
Task 913 of 4096 (0,1,3,0,1,1) R03-M1-N09-J00
Task 914 of 4096 (0,1,3,0,1,2) R03-M1-N09-J00
Task 915 of 4096 (0,1,3,0,1,3) R03-M1-N09-J00
Task 916 of 4096 (0,1,3,0,1,4) R03-M1-N09-J00
Task 917 of 4096 (0,1,3,0,1,5) R03-M1-N09-J00
Task 918 of 4096 (0,1,3,0,1,6) R03-M1-N09-J00
Task 919 of 4096 (0,1,3,0,1,7) R03-M1-N09-J00
Task 920 of 4096 (0,1,3,0,1,8) R03-M1-N09-J00
Task 921 of 4096 (0,1,3,0,1,9) R03-M1-N09-J00
Task 922 of 4096 (0,1,3,0,1,10) R03-M1-N09-J00
Task 923 of 4096 (0,1,3,0,1,11) R03-M1-N09-J00
Task 924 of 4096 (0,1,3,0,1,12) R03-M1-N09-J00
Task 925 of 4096 (0,1,3,0,1,13) R03-M1-N09-J00
Task 926 of 4096 (0,1,3,0,1,14) R03-M1-N09-J00
Task 927 of 4096 (0,1,3,0,1,15) R03-M1-N09-J00
Task 928 of 4096 (0,1,3,1,0,0) R03-M1-N09-J11
Task 929 of 4096 (0,1,3,1,0,1) R03-M1-N09-J11
Task 930 of 4096 (0,1,3,1,0,2) R03-M1-N09-J11
Task 931 of 4096 (0,1,3,1,0,3) R03-M1-N09-J11
Task 932 of 4096 (0,1,3,1,0,4) R03-M1-N09-J11
Task 933 of 4096 (0,1,3,1,0,5) R03-M1-N09-J11
Task 934 of 4096 (0,1,3,1,0,6) R03-M1-N09-J11
Task 935 of 4096 (0,1,3,1,0,7) R03-M1-N09-J11
Task 936 of 4096 (0,1,3,1,0,8) R03-M1-N09-J11
Task 937 of 4096 (0,1,3,1,0,9) R03-M1-N09-J11
Task 938 of 4096 (0,1,3,1,0,10) R03-M1-N09-J11
Task 939 of 4096 (0,1,3,1,0,11) R03-M1-N09-J11
Task 940 of 4096 (0,1,3,1,0,12) R03-M1-N09-J11
Task 941 of 4096 (0,1,3,1,0,13) R03-M1-N09-J11
Task 942 of 4096 (0,1,3,1,0,14) R03-M1-N09-J11
Task 943 of 4096 (0,1,3,1,0,15) R03-M1-N09-J11
Task 944 of 4096 (0,1,3,1,1,0) R03-M1-N09-J12
Task 945 of 4096 (0,1,3,1,1,1) R03-M1-N09-J12
Task 946 of 4096 (0,1,3,1,1,2) R03-M1-N09-J12
Task 947 of 4096 (0,1,3,1,1,3) R03-M1-N09-J12
Task 948 of 4096 (0,1,3,1,1,4) R03-M1-N09-J12
Task 949 of 4096 (0,1,3,1,1,5) R03-M1-N09-J12
Task 950 of 4096 (0,1,3,1,1,6) R03-M1-N09-J12
Task 951 of 4096 (0,1,3,1,1,7) R03-M1-N09-J12
Task 952 of 4096 (0,1,3,1,1,8) R03-M1-N09-J12
Task 953 of 4096 (0,1,3,1,1,9) R03-M1-N09-J12
Task 954 of 4096 (0,1,3,1,1,10) R03-M1-N09-J12
Task 955 of 4096 (0,1,3,1,1,11) R03-M1-N09-J12
Task 956 of 4096 (0,1,3,1,1,12) R03-M1-N09-J12
Task 957 of 4096 (0,1,3,1,1,13) R03-M1-N09-J12
Task 958 of 4096 (0,1,3,1,1,14) R03-M1-N09-J12
Task 959 of 4096 (0,1,3,1,1,15) R03-M1-N09-J12
Task 960 of 4096 (0,1,3,2,0,0) R03-M1-N11-J11
Task 961 of 4096 (0,1,3,2,0,1) R03-M1-N11-J11
Task 962 of 4096 (0,1,3,2,0,2) R03-M1-N11-J11
Task 963 of 4096 (0,1,3,2,0,3) R03-M1-N11-J11
Task 964 of 4096 (0,1,3,2,0,4) R03-M1-N11-J11
Task 965 of 4096 (0,1,3,2,0,5) R03-M1-N11-J11
Task 966 of 4096 (0,1,3,2,0,6) R03-M1-N11-J11
Task 967 of 4096 (0,1,3,2,0,7) R03-M1-N11-J11
Task 968 of 4096 (0,1,3,2,0,8) R03-M1-N11-J11
Task 969 of 4096 (0,1,3,2,0,9) R03-M1-N11-J11
Task 970 of 4096 (0,1,3,2,0,10) R03-M1-N11-J11
Task 971 of 4096 (0,1,3,2,0,11) R03-M1-N11-J11
Task 972 of 4096 (0,1,3,2,0,12) R03-M1-N11-J11
Task 973 of 4096 (0,1,3,2,0,13) R03-M1-N11-J11
Task 974 of 4096 (0,1,3,2,0,14) R03-M1-N11-J11
Task 975 of 4096 (0,1,3,2,0,15) R03-M1-N11-J11
Task 976 of 4096 (0,1,3,2,1,0) R03-M1-N11-J12
Task 977 of 4096 (0,1,3,2,1,1) R03-M1-N11-J12
Task 978 of 4096 (0,1,3,2,1,2) R03-M1-N11-J12
Task 979 of 4096 (0,1,3,2,1,3) R03-M1-N11-J12
Task 980 of 4096 (0,1,3,2,1,4) R03-M1-N11-J12
Task 981 of 4096 (0,1,3,2,1,5) R03-M1-N11-J12
Task 982 of 4096 (0,1,3,2,1,6) R03-M1-N11-J12
Task 983 of 4096 (0,1,3,2,1,7) R03-M1-N11-J12
Task 984 of 4096 (0,1,3,2,1,8) R03-M1-N11-J12
Task 985 of 4096 (0,1,3,2,1,9) R03-M1-N11-J12
Task 986 of 4096 (0,1,3,2,1,10) R03-M1-N11-J12
Task 987 of 4096 (0,1,3,2,1,11) R03-M1-N11-J12
Task 988 of 4096 (0,1,3,2,1,12) R03-M1-N11-J12
Task 989 of 4096 (0,1,3,2,1,13) R03-M1-N11-J12
Task 990 of 4096 (0,1,3,2,1,14) R03-M1-N11-J12
Task 991 of 4096 (0,1,3,2,1,15) R03-M1-N11-J12
Task 992 of 4096 (0,1,3,3,0,0) R03-M1-N11-J07
Task 993 of 4096 (0,1,3,3,0,1) R03-M1-N11-J07
Task 994 of 4096 (0,1,3,3,0,2) R03-M1-N11-J07
Task 995 of 4096 (0,1,3,3,0,3) R03-M1-N11-J07
Task 996 of 4096 (0,1,3,3,0,4) R03-M1-N11-J07
Task 997 of 4096 (0,1,3,3,0,5) R03-M1-N11-J07
Task 998 of 4096 (0,1,3,3,0,6) R03-M1-N11-J07
Task 999 of 4096 (0,1,3,3,0,7) R03-M1-N11-J07
Task 1000 of 4096 (0,1,3,3,0,8) R03-M1-N11-J07
Task 1001 of 4096 (0,1,3,3,0,9) R03-M1-N11-J07
Task 1002 of 4096 (0,1,3,3,0,10) R03-M1-N11-J07
Task 1003 of 4096 (0,1,3,3,0,11) R03-M1-N11-J07
Task 1004 of 4096 (0,1,3,3,0,12) R03-M1-N11-J07
Task 1005 of 4096 (0,1,3,3,0,13) R03-M1-N11-J07
Task 1006 of 4096 (0,1,3,3,0,14) R03-M1-N11-J07
Task 1007 of 4096 (0,1,3,3,0,15) R03-M1-N11-J07
Task 1008 of 4096 (0,1,3,3,1,0) R03-M1-N11-J00
Task 1009 of 4096 (0,1,3,3,1,1) R03-M1-N11-J00
Task 1010 of 4096 (0,1,3,3,1,2) R03-M1-N11-J00
Task 1011 of 4096 (0,1,3,3,1,3) R03-M1-N11-J00
Task 1012 of 4096 (0,1,3,3,1,4) R03-M1-N11-J00
Task 1013 of 4096 (0,1,3,3,1,5) R03-M1-N11-J00
Task 1014 of 4096 (0,1,3,3,1,6) R03-M1-N11-J00
Task 1015 of 4096 (0,1,3,3,1,7) R03-M1-N11-J00
Task 1016 of 4096 (0,1,3,3,1,8) R03-M1-N11-J00
Task 1017 of 4096 (0,1,3,3,1,9) R03-M1-N11-J00
Task 1018 of 4096 (0,1,3,3,1,10) R03-M1-N11-J00
Task 1019 of 4096 (0,1,3,3,1,11) R03-M1-N11-J00
Task 1020 of 4096 (0,1,3,3,1,12) R03-M1-N11-J00
Task 1021 of 4096 (0,1,3,3,1,13) R03-M1-N11-J00
Task 1022 of 4096 (0,1,3,3,1,14) R03-M1-N11-J00
Task 1023 of 4096 (0,1,3,3,1,15) R03-M1-N11-J00
Task 1024 of 4096 (1,0,0,0,0,0) R03-M1-N08-J25
Task 1025 of 4096 (1,0,0,0,0,1) R03-M1-N08-J25
Task 1026 of 4096 (1,0,0,0,0,2) R03-M1-N08-J25
Task 1027 of 4096 (1,0,0,0,0,3) R03-M1-N08-J25
Task 1028 of 4096 (1,0,0,0,0,4) R03-M1-N08-J25
Task 1029 of 4096 (1,0,0,0,0,5) R03-M1-N08-J25
Task 1030 of 4096 (1,0,0,0,0,6) R03-M1-N08-J25
Task 1031 of 4096 (1,0,0,0,0,7) R03-M1-N08-J25
Task 1032 of 4096 (1,0,0,0,0,8) R03-M1-N08-J25
Task 1033 of 4096 (1,0,0,0,0,9) R03-M1-N08-J25
Task 1034 of 4096 (1,0,0,0,0,10) R03-M1-N08-J25
Task 1035 of 4096 (1,0,0,0,0,11) R03-M1-N08-J25
Task 1036 of 4096 (1,0,0,0,0,12) R03-M1-N08-J25
Task 1037 of 4096 (1,0,0,0,0,13) R03-M1-N08-J25
Task 1038 of 4096 (1,0,0,0,0,14) R03-M1-N08-J25
Task 1039 of 4096 (1,0,0,0,0,15) R03-M1-N08-J25
Task 1040 of 4096 (1,0,0,0,1,0) R03-M1-N08-J30
Task 1041 of 4096 (1,0,0,0,1,1) R03-M1-N08-J30
Task 1042 of 4096 (1,0,0,0,1,2) R03-M1-N08-J30
Task 1043 of 4096 (1,0,0,0,1,3) R03-M1-N08-J30
Task 1044 of 4096 (1,0,0,0,1,4) R03-M1-N08-J30
Task 1045 of 4096 (1,0,0,0,1,5) R03-M1-N08-J30
Task 1046 of 4096 (1,0,0,0,1,6) R03-M1-N08-J30
Task 1047 of 4096 (1,0,0,0,1,7) R03-M1-N08-J30
Task 1048 of 4096 (1,0,0,0,1,8) R03-M1-N08-J30
Task 1049 of 4096 (1,0,0,0,1,9) R03-M1-N08-J30
Task 1050 of 4096 (1,0,0,0,1,10) R03-M1-N08-J30
Task 1051 of 4096 (1,0,0,0,1,11) R03-M1-N08-J30
Task 1052 of 4096 (1,0,0,0,1,12) R03-M1-N08-J30
Task 1053 of 4096 (1,0,0,0,1,13) R03-M1-N08-J30
Task 1054 of 4096 (1,0,0,0,1,14) R03-M1-N08-J30
Task 1055 of 4096 (1,0,0,0,1,15) R03-M1-N08-J30
Task 1056 of 4096 (1,0,0,1,0,0) R03-M1-N08-J21
Task 1057 of 4096 (1,0,0,1,0,1) R03-M1-N08-J21
Task 1058 of 4096 (1,0,0,1,0,2) R03-M1-N08-J21
Task 1059 of 4096 (1,0,0,1,0,3) R03-M1-N08-J21
Task 1060 of 4096 (1,0,0,1,0,4) R03-M1-N08-J21
Task 1061 of 4096 (1,0,0,1,0,5) R03-M1-N08-J21
Task 1062 of 4096 (1,0,0,1,0,6) R03-M1-N08-J21
Task 1063 of 4096 (1,0,0,1,0,7) R03-M1-N08-J21
Task 1064 of 4096 (1,0,0,1,0,8) R03-M1-N08-J21
Task 1065 of 4096 (1,0,0,1,0,9) R03-M1-N08-J21
Task 1066 of 4096 (1,0,0,1,0,10) R03-M1-N08-J21
Task 1067 of 4096 (1,0,0,1,0,11) R03-M1-N08-J21
Task 1068 of 4096 (1,0,0,1,0,12) R03-M1-N08-J21
Task 1069 of 4096 (1,0,0,1,0,13) R03-M1-N08-J21
Task 1070 of 4096 (1,0,0,1,0,14) R03-M1-N08-J21
Task 1071 of 4096 (1,0,0,1,0,15) R03-M1-N08-J21
Task 1072 of 4096 (1,0,0,1,1,0) R03-M1-N08-J18
Task 1073 of 4096 (1,0,0,1,1,1) R03-M1-N08-J18
Task 1074 of 4096 (1,0,0,1,1,2) R03-M1-N08-J18
Task 1075 of 4096 (1,0,0,1,1,3) R03-M1-N08-J18
Task 1076 of 4096 (1,0,0,1,1,4) R03-M1-N08-J18
Task 1077 of 4096 (1,0,0,1,1,5) R03-M1-N08-J18
Task 1078 of 4096 (1,0,0,1,1,6) R03-M1-N08-J18
Task 1079 of 4096 (1,0,0,1,1,7) R03-M1-N08-J18
Task 1080 of 4096 (1,0,0,1,1,8) R03-M1-N08-J18
Task 1081 of 4096 (1,0,0,1,1,9) R03-M1-N08-J18
Task 1082 of 4096 (1,0,0,1,1,10) R03-M1-N08-J18
Task 1083 of 4096 (1,0,0,1,1,11) R03-M1-N08-J18
Task 1084 of 4096 (1,0,0,1,1,12) R03-M1-N08-J18
Task 1085 of 4096 (1,0,0,1,1,13) R03-M1-N08-J18
Task 1086 of 4096 (1,0,0,1,1,14) R03-M1-N08-J18
Task 1087 of 4096 (1,0,0,1,1,15) R03-M1-N08-J18
Task 1088 of 4096 (1,0,0,2,0,0) R03-M1-N10-J21
Task 1089 of 4096 (1,0,0,2,0,1) R03-M1-N10-J21
Task 1090 of 4096 (1,0,0,2,0,2) R03-M1-N10-J21
Task 1091 of 4096 (1,0,0,2,0,3) R03-M1-N10-J21
Task 1092 of 4096 (1,0,0,2,0,4) R03-M1-N10-J21
Task 1093 of 4096 (1,0,0,2,0,5) R03-M1-N10-J21
Task 1094 of 4096 (1,0,0,2,0,6) R03-M1-N10-J21
Task 1095 of 4096 (1,0,0,2,0,7) R03-M1-N10-J21
Task 1096 of 4096 (1,0,0,2,0,8) R03-M1-N10-J21
Task 1097 of 4096 (1,0,0,2,0,9) R03-M1-N10-J21
Task 1098 of 4096 (1,0,0,2,0,10) R03-M1-N10-J21
Task 1099 of 4096 (1,0,0,2,0,11) R03-M1-N10-J21
Task 1100 of 4096 (1,0,0,2,0,12) R03-M1-N10-J21
Task 1101 of 4096 (1,0,0,2,0,13) R03-M1-N10-J21
Task 1102 of 4096 (1,0,0,2,0,14) R03-M1-N10-J21
Task 1103 of 4096 (1,0,0,2,0,15) R03-M1-N10-J21
Task 1104 of 4096 (1,0,0,2,1,0) R03-M1-N10-J18
Task 1105 of 4096 (1,0,0,2,1,1) R03-M1-N10-J18
Task 1106 of 4096 (1,0,0,2,1,2) R03-M1-N10-J18
Task 1107 of 4096 (1,0,0,2,1,3) R03-M1-N10-J18
Task 1108 of 4096 (1,0,0,2,1,4) R03-M1-N10-J18
Task 1109 of 4096 (1,0,0,2,1,5) R03-M1-N10-J18
Task 1110 of 4096 (1,0,0,2,1,6) R03-M1-N10-J18
Task 1111 of 4096 (1,0,0,2,1,7) R03-M1-N10-J18
Task 1112 of 4096 (1,0,0,2,1,8) R03-M1-N10-J18
Task 1113 of 4096 (1,0,0,2,1,9) R03-M1-N10-J18
Task 1114 of 4096 (1,0,0,2,1,10) R03-M1-N10-J18
Task 1115 of 4096 (1,0,0,2,1,11) R03-M1-N10-J18
Task 1116 of 4096 (1,0,0,2,1,12) R03-M1-N10-J18
Task 1117 of 4096 (1,0,0,2,1,13) R03-M1-N10-J18
Task 1118 of 4096 (1,0,0,2,1,14) R03-M1-N10-J18
Task 1119 of 4096 (1,0,0,2,1,15) R03-M1-N10-J18
Task 1120 of 4096 (1,0,0,3,0,0) R03-M1-N10-J25
Task 1121 of 4096 (1,0,0,3,0,1) R03-M1-N10-J25
Task 1122 of 4096 (1,0,0,3,0,2) R03-M1-N10-J25
Task 1123 of 4096 (1,0,0,3,0,3) R03-M1-N10-J25
Task 1124 of 4096 (1,0,0,3,0,4) R03-M1-N10-J25
Task 1125 of 4096 (1,0,0,3,0,5) R03-M1-N10-J25
Task 1126 of 4096 (1,0,0,3,0,6) R03-M1-N10-J25
Task 1127 of 4096 (1,0,0,3,0,7) R03-M1-N10-J25
Task 1128 of 4096 (1,0,0,3,0,8) R03-M1-N10-J25
Task 1129 of 4096 (1,0,0,3,0,9) R03-M1-N10-J25
Task 1130 of 4096 (1,0,0,3,0,10) R03-M1-N10-J25
Task 1131 of 4096 (1,0,0,3,0,11) R03-M1-N10-J25
Task 1132 of 4096 (1,0,0,3,0,12) R03-M1-N10-J25
Task 1133 of 4096 (1,0,0,3,0,13) R03-M1-N10-J25
Task 1134 of 4096 (1,0,0,3,0,14) R03-M1-N10-J25
Task 1135 of 4096 (1,0,0,3,0,15) R03-M1-N10-J25
Task 1136 of 4096 (1,0,0,3,1,0) R03-M1-N10-J30
Task 1137 of 4096 (1,0,0,3,1,1) R03-M1-N10-J30
Task 1138 of 4096 (1,0,0,3,1,2) R03-M1-N10-J30
Task 1139 of 4096 (1,0,0,3,1,3) R03-M1-N10-J30
Task 1140 of 4096 (1,0,0,3,1,4) R03-M1-N10-J30
Task 1141 of 4096 (1,0,0,3,1,5) R03-M1-N10-J30
Task 1142 of 4096 (1,0,0,3,1,6) R03-M1-N10-J30
Task 1143 of 4096 (1,0,0,3,1,7) R03-M1-N10-J30
Task 1144 of 4096 (1,0,0,3,1,8) R03-M1-N10-J30
Task 1145 of 4096 (1,0,0,3,1,9) R03-M1-N10-J30
Task 1146 of 4096 (1,0,0,3,1,10) R03-M1-N10-J30
Task 1147 of 4096 (1,0,0,3,1,11) R03-M1-N10-J30
Task 1148 of 4096 (1,0,0,3,1,12) R03-M1-N10-J30
Task 1149 of 4096 (1,0,0,3,1,13) R03-M1-N10-J30
Task 1150 of 4096 (1,0,0,3,1,14) R03-M1-N10-J30
Task 1151 of 4096 (1,0,0,3,1,15) R03-M1-N10-J30
Task 1152 of 4096 (1,0,1,0,0,0) R03-M1-N08-J24
Task 1153 of 4096 (1,0,1,0,0,1) R03-M1-N08-J24
Task 1154 of 4096 (1,0,1,0,0,2) R03-M1-N08-J24
Task 1155 of 4096 (1,0,1,0,0,3) R03-M1-N08-J24
Task 1156 of 4096 (1,0,1,0,0,4) R03-M1-N08-J24
Task 1157 of 4096 (1,0,1,0,0,5) R03-M1-N08-J24
Task 1158 of 4096 (1,0,1,0,0,6) R03-M1-N08-J24
Task 1159 of 4096 (1,0,1,0,0,7) R03-M1-N08-J24
Task 1160 of 4096 (1,0,1,0,0,8) R03-M1-N08-J24
Task 1161 of 4096 (1,0,1,0,0,9) R03-M1-N08-J24
Task 1162 of 4096 (1,0,1,0,0,10) R03-M1-N08-J24
Task 1163 of 4096 (1,0,1,0,0,11) R03-M1-N08-J24
Task 1164 of 4096 (1,0,1,0,0,12) R03-M1-N08-J24
Task 1165 of 4096 (1,0,1,0,0,13) R03-M1-N08-J24
Task 1166 of 4096 (1,0,1,0,0,14) R03-M1-N08-J24
Task 1167 of 4096 (1,0,1,0,0,15) R03-M1-N08-J24
Task 1168 of 4096 (1,0,1,0,1,0) R03-M1-N08-J31
Task 1169 of 4096 (1,0,1,0,1,1) R03-M1-N08-J31
Task 1170 of 4096 (1,0,1,0,1,2) R03-M1-N08-J31
Task 1171 of 4096 (1,0,1,0,1,3) R03-M1-N08-J31
Task 1172 of 4096 (1,0,1,0,1,4) R03-M1-N08-J31
Task 1173 of 4096 (1,0,1,0,1,5) R03-M1-N08-J31
Task 1174 of 4096 (1,0,1,0,1,6) R03-M1-N08-J31
Task 1175 of 4096 (1,0,1,0,1,7) R03-M1-N08-J31
Task 1176 of 4096 (1,0,1,0,1,8) R03-M1-N08-J31
Task 1177 of 4096 (1,0,1,0,1,9) R03-M1-N08-J31
Task 1178 of 4096 (1,0,1,0,1,10) R03-M1-N08-J31
Task 1179 of 4096 (1,0,1,0,1,11) R03-M1-N08-J31
Task 1180 of 4096 (1,0,1,0,1,12) R03-M1-N08-J31
Task 1181 of 4096 (1,0,1,0,1,13) R03-M1-N08-J31
Task 1182 of 4096 (1,0,1,0,1,14) R03-M1-N08-J31
Task 1183 of 4096 (1,0,1,0,1,15) R03-M1-N08-J31
Task 1184 of 4096 (1,0,1,1,0,0) R03-M1-N08-J20
Task 1185 of 4096 (1,0,1,1,0,1) R03-M1-N08-J20
Task 1186 of 4096 (1,0,1,1,0,2) R03-M1-N08-J20
Task 1187 of 4096 (1,0,1,1,0,3) R03-M1-N08-J20
Task 1188 of 4096 (1,0,1,1,0,4) R03-M1-N08-J20
Task 1189 of 4096 (1,0,1,1,0,5) R03-M1-N08-J20
Task 1190 of 4096 (1,0,1,1,0,6) R03-M1-N08-J20
Task 1191 of 4096 (1,0,1,1,0,7) R03-M1-N08-J20
Task 1192 of 4096 (1,0,1,1,0,8) R03-M1-N08-J20
Task 1193 of 4096 (1,0,1,1,0,9) R03-M1-N08-J20
Task 1194 of 4096 (1,0,1,1,0,10) R03-M1-N08-J20
Task 1195 of 4096 (1,0,1,1,0,11) R03-M1-N08-J20
Task 1196 of 4096 (1,0,1,1,0,12) R03-M1-N08-J20
Task 1197 of 4096 (1,0,1,1,0,13) R03-M1-N08-J20
Task 1198 of 4096 (1,0,1,1,0,14) R03-M1-N08-J20
Task 1199 of 4096 (1,0,1,1,0,15) R03-M1-N08-J20
Task 1200 of 4096 (1,0,1,1,1,0) R03-M1-N08-J19
Task 1201 of 4096 (1,0,1,1,1,1) R03-M1-N08-J19
Task 1202 of 4096 (1,0,1,1,1,2) R03-M1-N08-J19
Task 1203 of 4096 (1,0,1,1,1,3) R03-M1-N08-J19
Task 1204 of 4096 (1,0,1,1,1,4) R03-M1-N08-J19
Task 1205 of 4096 (1,0,1,1,1,5) R03-M1-N08-J19
Task 1206 of 4096 (1,0,1,1,1,6) R03-M1-N08-J19
Task 1207 of 4096 (1,0,1,1,1,7) R03-M1-N08-J19
Task 1208 of 4096 (1,0,1,1,1,8) R03-M1-N08-J19
Task 1209 of 4096 (1,0,1,1,1,9) R03-M1-N08-J19
Task 1210 of 4096 (1,0,1,1,1,10) R03-M1-N08-J19
Task 1211 of 4096 (1,0,1,1,1,11) R03-M1-N08-J19
Task 1212 of 4096 (1,0,1,1,1,12) R03-M1-N08-J19
Task 1213 of 4096 (1,0,1,1,1,13) R03-M1-N08-J19
Task 1214 of 4096 (1,0,1,1,1,14) R03-M1-N08-J19
Task 1215 of 4096 (1,0,1,1,1,15) R03-M1-N08-J19
Task 1216 of 4096 (1,0,1,2,0,0) R03-M1-N10-J20
Task 1217 of 4096 (1,0,1,2,0,1) R03-M1-N10-J20
Task 1218 of 4096 (1,0,1,2,0,2) R03-M1-N10-J20
Task 1219 of 4096 (1,0,1,2,0,3) R03-M1-N10-J20
Task 1220 of 4096 (1,0,1,2,0,4) R03-M1-N10-J20
Task 1221 of 4096 (1,0,1,2,0,5) R03-M1-N10-J20
Task 1222 of 4096 (1,0,1,2,0,6) R03-M1-N10-J20
Task 1223 of 4096 (1,0,1,2,0,7) R03-M1-N10-J20
Task 1224 of 4096 (1,0,1,2,0,8) R03-M1-N10-J20
Task 1225 of 4096 (1,0,1,2,0,9) R03-M1-N10-J20
Task 1226 of 4096 (1,0,1,2,0,10) R03-M1-N10-J20
Task 1227 of 4096 (1,0,1,2,0,11) R03-M1-N10-J20
Task 1228 of 4096 (1,0,1,2,0,12) R03-M1-N10-J20
Task 1229 of 4096 (1,0,1,2,0,13) R03-M1-N10-J20
Task 1230 of 4096 (1,0,1,2,0,14) R03-M1-N10-J20
Task 1231 of 4096 (1,0,1,2,0,15) R03-M1-N10-J20
Task 1232 of 4096 (1,0,1,2,1,0) R03-M1-N10-J19
Task 1233 of 4096 (1,0,1,2,1,1) R03-M1-N10-J19
Task 1234 of 4096 (1,0,1,2,1,2) R03-M1-N10-J19
Task 1235 of 4096 (1,0,1,2,1,3) R03-M1-N10-J19
Task 1236 of 4096 (1,0,1,2,1,4) R03-M1-N10-J19
Task 1237 of 4096 (1,0,1,2,1,5) R03-M1-N10-J19
Task 1238 of 4096 (1,0,1,2,1,6) R03-M1-N10-J19
Task 1239 of 4096 (1,0,1,2,1,7) R03-M1-N10-J19
Task 1240 of 4096 (1,0,1,2,1,8) R03-M1-N10-J19
Task 1241 of 4096 (1,0,1,2,1,9) R03-M1-N10-J19
Task 1242 of 4096 (1,0,1,2,1,10) R03-M1-N10-J19
Task 1243 of 4096 (1,0,1,2,1,11) R03-M1-N10-J19
Task 1244 of 4096 (1,0,1,2,1,12) R03-M1-N10-J19
Task 1245 of 4096 (1,0,1,2,1,13) R03-M1-N10-J19
Task 1246 of 4096 (1,0,1,2,1,14) R03-M1-N10-J19
Task 1247 of 4096 (1,0,1,2,1,15) R03-M1-N10-J19
Task 1248 of 4096 (1,0,1,3,0,0) R03-M1-N10-J24
Task 1249 of 4096 (1,0,1,3,0,1) R03-M1-N10-J24
Task 1250 of 4096 (1,0,1,3,0,2) R03-M1-N10-J24
Task 1251 of 4096 (1,0,1,3,0,3) R03-M1-N10-J24
Task 1252 of 4096 (1,0,1,3,0,4) R03-M1-N10-J24
Task 1253 of 4096 (1,0,1,3,0,5) R03-M1-N10-J24
Task 1254 of 4096 (1,0,1,3,0,6) R03-M1-N10-J24
Task 1255 of 4096 (1,0,1,3,0,7) R03-M1-N10-J24
Task 1256 of 4096 (1,0,1,3,0,8) R03-M1-N10-J24
Task 1257 of 4096 (1,0,1,3,0,9) R03-M1-N10-J24
Task 1258 of 4096 (1,0,1,3,0,10) R03-M1-N10-J24
Task 1259 of 4096 (1,0,1,3,0,11) R03-M1-N10-J24
Task 1260 of 4096 (1,0,1,3,0,12) R03-M1-N10-J24
Task 1261 of 4096 (1,0,1,3,0,13) R03-M1-N10-J24
Task 1262 of 4096 (1,0,1,3,0,14) R03-M1-N10-J24
Task 1263 of 4096 (1,0,1,3,0,15) R03-M1-N10-J24
Task 1264 of 4096 (1,0,1,3,1,0) R03-M1-N10-J31
Task 1265 of 4096 (1,0,1,3,1,1) R03-M1-N10-J31
Task 1266 of 4096 (1,0,1,3,1,2) R03-M1-N10-J31
Task 1267 of 4096 (1,0,1,3,1,3) R03-M1-N10-J31
Task 1268 of 4096 (1,0,1,3,1,4) R03-M1-N10-J31
Task 1269 of 4096 (1,0,1,3,1,5) R03-M1-N10-J31
Task 1270 of 4096 (1,0,1,3,1,6) R03-M1-N10-J31
Task 1271 of 4096 (1,0,1,3,1,7) R03-M1-N10-J31
Task 1272 of 4096 (1,0,1,3,1,8) R03-M1-N10-J31
Task 1273 of 4096 (1,0,1,3,1,9) R03-M1-N10-J31
Task 1274 of 4096 (1,0,1,3,1,10) R03-M1-N10-J31
Task 1275 of 4096 (1,0,1,3,1,11) R03-M1-N10-J31
Task 1276 of 4096 (1,0,1,3,1,12) R03-M1-N10-J31
Task 1277 of 4096 (1,0,1,3,1,13) R03-M1-N10-J31
Task 1278 of 4096 (1,0,1,3,1,14) R03-M1-N10-J31
Task 1279 of 4096 (1,0,1,3,1,15) R03-M1-N10-J31
Task 1280 of 4096 (1,0,2,0,0,0) R03-M1-N09-J24
Task 1281 of 4096 (1,0,2,0,0,1) R03-M1-N09-J24
Task 1282 of 4096 (1,0,2,0,0,2) R03-M1-N09-J24
Task 1283 of 4096 (1,0,2,0,0,3) R03-M1-N09-J24
Task 1284 of 4096 (1,0,2,0,0,4) R03-M1-N09-J24
Task 1285 of 4096 (1,0,2,0,0,5) R03-M1-N09-J24
Task 1286 of 4096 (1,0,2,0,0,6) R03-M1-N09-J24
Task 1287 of 4096 (1,0,2,0,0,7) R03-M1-N09-J24
Task 1288 of 4096 (1,0,2,0,0,8) R03-M1-N09-J24
Task 1289 of 4096 (1,0,2,0,0,9) R03-M1-N09-J24
Task 1290 of 4096 (1,0,2,0,0,10) R03-M1-N09-J24
Task 1291 of 4096 (1,0,2,0,0,11) R03-M1-N09-J24
Task 1292 of 4096 (1,0,2,0,0,12) R03-M1-N09-J24
Task 1293 of 4096 (1,0,2,0,0,13) R03-M1-N09-J24
Task 1294 of 4096 (1,0,2,0,0,14) R03-M1-N09-J24
Task 1295 of 4096 (1,0,2,0,0,15) R03-M1-N09-J24
Task 1296 of 4096 (1,0,2,0,1,0) R03-M1-N09-J31
Task 1297 of 4096 (1,0,2,0,1,1) R03-M1-N09-J31
Task 1298 of 4096 (1,0,2,0,1,2) R03-M1-N09-J31
Task 1299 of 4096 (1,0,2,0,1,3) R03-M1-N09-J31
Task 1300 of 4096 (1,0,2,0,1,4) R03-M1-N09-J31
Task 1301 of 4096 (1,0,2,0,1,5) R03-M1-N09-J31
Task 1302 of 4096 (1,0,2,0,1,6) R03-M1-N09-J31
Task 1303 of 4096 (1,0,2,0,1,7) R03-M1-N09-J31
Task 1304 of 4096 (1,0,2,0,1,8) R03-M1-N09-J31
Task 1305 of 4096 (1,0,2,0,1,9) R03-M1-N09-J31
Task 1306 of 4096 (1,0,2,0,1,10) R03-M1-N09-J31
Task 1307 of 4096 (1,0,2,0,1,11) R03-M1-N09-J31
Task 1308 of 4096 (1,0,2,0,1,12) R03-M1-N09-J31
Task 1309 of 4096 (1,0,2,0,1,13) R03-M1-N09-J31
Task 1310 of 4096 (1,0,2,0,1,14) R03-M1-N09-J31
Task 1311 of 4096 (1,0,2,0,1,15) R03-M1-N09-J31
Task 1312 of 4096 (1,0,2,1,0,0) R03-M1-N09-J20
Task 1313 of 4096 (1,0,2,1,0,1) R03-M1-N09-J20
Task 1314 of 4096 (1,0,2,1,0,2) R03-M1-N09-J20
Task 1315 of 4096 (1,0,2,1,0,3) R03-M1-N09-J20
Task 1316 of 4096 (1,0,2,1,0,4) R03-M1-N09-J20
Task 1317 of 4096 (1,0,2,1,0,5) R03-M1-N09-J20
Task 1318 of 4096 (1,0,2,1,0,6) R03-M1-N09-J20
Task 1319 of 4096 (1,0,2,1,0,7) R03-M1-N09-J20
Task 1320 of 4096 (1,0,2,1,0,8) R03-M1-N09-J20
Task 1321 of 4096 (1,0,2,1,0,9) R03-M1-N09-J20
Task 1322 of 4096 (1,0,2,1,0,10) R03-M1-N09-J20
Task 1323 of 4096 (1,0,2,1,0,11) R03-M1-N09-J20
Task 1324 of 4096 (1,0,2,1,0,12) R03-M1-N09-J20
Task 1325 of 4096 (1,0,2,1,0,13) R03-M1-N09-J20
Task 1326 of 4096 (1,0,2,1,0,14) R03-M1-N09-J20
Task 1327 of 4096 (1,0,2,1,0,15) R03-M1-N09-J20
Task 1328 of 4096 (1,0,2,1,1,0) R03-M1-N09-J19
Task 1329 of 4096 (1,0,2,1,1,1) R03-M1-N09-J19
Task 1330 of 4096 (1,0,2,1,1,2) R03-M1-N09-J19
Task 1331 of 4096 (1,0,2,1,1,3) R03-M1-N09-J19
Task 1332 of 4096 (1,0,2,1,1,4) R03-M1-N09-J19
Task 1333 of 4096 (1,0,2,1,1,5) R03-M1-N09-J19
Task 1334 of 4096 (1,0,2,1,1,6) R03-M1-N09-J19
Task 1335 of 4096 (1,0,2,1,1,7) R03-M1-N09-J19
Task 1336 of 4096 (1,0,2,1,1,8) R03-M1-N09-J19
Task 1337 of 4096 (1,0,2,1,1,9) R03-M1-N09-J19
Task 1338 of 4096 (1,0,2,1,1,10) R03-M1-N09-J19
Task 1339 of 4096 (1,0,2,1,1,11) R03-M1-N09-J19
Task 1340 of 4096 (1,0,2,1,1,12) R03-M1-N09-J19
Task 1341 of 4096 (1,0,2,1,1,13) R03-M1-N09-J19
Task 1342 of 4096 (1,0,2,1,1,14) R03-M1-N09-J19
Task 1343 of 4096 (1,0,2,1,1,15) R03-M1-N09-J19
Task 1344 of 4096 (1,0,2,2,0,0) R03-M1-N11-J20
Task 1345 of 4096 (1,0,2,2,0,1) R03-M1-N11-J20
Task 1346 of 4096 (1,0,2,2,0,2) R03-M1-N11-J20
Task 1347 of 4096 (1,0,2,2,0,3) R03-M1-N11-J20
Task 1348 of 4096 (1,0,2,2,0,4) R03-M1-N11-J20
Task 1349 of 4096 (1,0,2,2,0,5) R03-M1-N11-J20
Task 1350 of 4096 (1,0,2,2,0,6) R03-M1-N11-J20
Task 1351 of 4096 (1,0,2,2,0,7) R03-M1-N11-J20
Task 1352 of 4096 (1,0,2,2,0,8) R03-M1-N11-J20
Task 1353 of 4096 (1,0,2,2,0,9) R03-M1-N11-J20
Task 1354 of 4096 (1,0,2,2,0,10) R03-M1-N11-J20
Task 1355 of 4096 (1,0,2,2,0,11) R03-M1-N11-J20
Task 1356 of 4096 (1,0,2,2,0,12) R03-M1-N11-J20
Task 1357 of 4096 (1,0,2,2,0,13) R03-M1-N11-J20
Task 1358 of 4096 (1,0,2,2,0,14) R03-M1-N11-J20
Task 1359 of 4096 (1,0,2,2,0,15) R03-M1-N11-J20
Task 1360 of 4096 (1,0,2,2,1,0) R03-M1-N11-J19
Task 1361 of 4096 (1,0,2,2,1,1) R03-M1-N11-J19
Task 1362 of 4096 (1,0,2,2,1,2) R03-M1-N11-J19
Task 1363 of 4096 (1,0,2,2,1,3) R03-M1-N11-J19
Task 1364 of 4096 (1,0,2,2,1,4) R03-M1-N11-J19
Task 1365 of 4096 (1,0,2,2,1,5) R03-M1-N11-J19
Task 1366 of 4096 (1,0,2,2,1,6) R03-M1-N11-J19
Task 1367 of 4096 (1,0,2,2,1,7) R03-M1-N11-J19
Task 1368 of 4096 (1,0,2,2,1,8) R03-M1-N11-J19
Task 1369 of 4096 (1,0,2,2,1,9) R03-M1-N11-J19
Task 1370 of 4096 (1,0,2,2,1,10) R03-M1-N11-J19
Task 1371 of 4096 (1,0,2,2,1,11) R03-M1-N11-J19
Task 1372 of 4096 (1,0,2,2,1,12) R03-M1-N11-J19
Task 1373 of 4096 (1,0,2,2,1,13) R03-M1-N11-J19
Task 1374 of 4096 (1,0,2,2,1,14) R03-M1-N11-J19
Task 1375 of 4096 (1,0,2,2,1,15) R03-M1-N11-J19
Task 1376 of 4096 (1,0,2,3,0,0) R03-M1-N11-J24
Task 1377 of 4096 (1,0,2,3,0,1) R03-M1-N11-J24
Task 1378 of 4096 (1,0,2,3,0,2) R03-M1-N11-J24
Task 1379 of 4096 (1,0,2,3,0,3) R03-M1-N11-J24
Task 1380 of 4096 (1,0,2,3,0,4) R03-M1-N11-J24
Task 1381 of 4096 (1,0,2,3,0,5) R03-M1-N11-J24
Task 1382 of 4096 (1,0,2,3,0,6) R03-M1-N11-J24
Task 1383 of 4096 (1,0,2,3,0,7) R03-M1-N11-J24
Task 1384 of 4096 (1,0,2,3,0,8) R03-M1-N11-J24
Task 1385 of 4096 (1,0,2,3,0,9) R03-M1-N11-J24
Task 1386 of 4096 (1,0,2,3,0,10) R03-M1-N11-J24
Task 1387 of 4096 (1,0,2,3,0,11) R03-M1-N11-J24
Task 1388 of 4096 (1,0,2,3,0,12) R03-M1-N11-J24
Task 1389 of 4096 (1,0,2,3,0,13) R03-M1-N11-J24
Task 1390 of 4096 (1,0,2,3,0,14) R03-M1-N11-J24
Task 1391 of 4096 (1,0,2,3,0,15) R03-M1-N11-J24
Task 1392 of 4096 (1,0,2,3,1,0) R03-M1-N11-J31
Task 1393 of 4096 (1,0,2,3,1,1) R03-M1-N11-J31
Task 1394 of 4096 (1,0,2,3,1,2) R03-M1-N11-J31
Task 1395 of 4096 (1,0,2,3,1,3) R03-M1-N11-J31
Task 1396 of 4096 (1,0,2,3,1,4) R03-M1-N11-J31
Task 1397 of 4096 (1,0,2,3,1,5) R03-M1-N11-J31
Task 1398 of 4096 (1,0,2,3,1,6) R03-M1-N11-J31
Task 1399 of 4096 (1,0,2,3,1,7) R03-M1-N11-J31
Task 1400 of 4096 (1,0,2,3,1,8) R03-M1-N11-J31
Task 1401 of 4096 (1,0,2,3,1,9) R03-M1-N11-J31
Task 1402 of 4096 (1,0,2,3,1,10) R03-M1-N11-J31
Task 1403 of 4096 (1,0,2,3,1,11) R03-M1-N11-J31
Task 1404 of 4096 (1,0,2,3,1,12) R03-M1-N11-J31
Task 1405 of 4096 (1,0,2,3,1,13) R03-M1-N11-J31
Task 1406 of 4096 (1,0,2,3,1,14) R03-M1-N11-J31
Task 1407 of 4096 (1,0,2,3,1,15) R03-M1-N11-J31
Task 1408 of 4096 (1,0,3,0,0,0) R03-M1-N09-J25
Task 1409 of 4096 (1,0,3,0,0,1) R03-M1-N09-J25
Task 1410 of 4096 (1,0,3,0,0,2) R03-M1-N09-J25
Task 1411 of 4096 (1,0,3,0,0,3) R03-M1-N09-J25
Task 1412 of 4096 (1,0,3,0,0,4) R03-M1-N09-J25
Task 1413 of 4096 (1,0,3,0,0,5) R03-M1-N09-J25
Task 1414 of 4096 (1,0,3,0,0,6) R03-M1-N09-J25
Task 1415 of 4096 (1,0,3,0,0,7) R03-M1-N09-J25
Task 1416 of 4096 (1,0,3,0,0,8) R03-M1-N09-J25
Task 1417 of 4096 (1,0,3,0,0,9) R03-M1-N09-J25
Task 1418 of 4096 (1,0,3,0,0,10) R03-M1-N09-J25
Task 1419 of 4096 (1,0,3,0,0,11) R03-M1-N09-J25
Task 1420 of 4096 (1,0,3,0,0,12) R03-M1-N09-J25
Task 1421 of 4096 (1,0,3,0,0,13) R03-M1-N09-J25
Task 1422 of 4096 (1,0,3,0,0,14) R03-M1-N09-J25
Task 1423 of 4096 (1,0,3,0,0,15) R03-M1-N09-J25
Task 1424 of 4096 (1,0,3,0,1,0) R03-M1-N09-J30
Task 1425 of 4096 (1,0,3,0,1,1) R03-M1-N09-J30
Task 1426 of 4096 (1,0,3,0,1,2) R03-M1-N09-J30
Task 1427 of 4096 (1,0,3,0,1,3) R03-M1-N09-J30
Task 1428 of 4096 (1,0,3,0,1,4) R03-M1-N09-J30
Task 1429 of 4096 (1,0,3,0,1,5) R03-M1-N09-J30
Task 1430 of 4096 (1,0,3,0,1,6) R03-M1-N09-J30
Task 1431 of 4096 (1,0,3,0,1,7) R03-M1-N09-J30
Task 1432 of 4096 (1,0,3,0,1,8) R03-M1-N09-J30
Task 1433 of 4096 (1,0,3,0,1,9) R03-M1-N09-J30
Task 1434 of 4096 (1,0,3,0,1,10) R03-M1-N09-J30
Task 1435 of 4096 (1,0,3,0,1,11) R03-M1-N09-J30
Task 1436 of 4096 (1,0,3,0,1,12) R03-M1-N09-J30
Task 1437 of 4096 (1,0,3,0,1,13) R03-M1-N09-J30
Task 1438 of 4096 (1,0,3,0,1,14) R03-M1-N09-J30
Task 1439 of 4096 (1,0,3,0,1,15) R03-M1-N09-J30
Task 1440 of 4096 (1,0,3,1,0,0) R03-M1-N09-J21
Task 1441 of 4096 (1,0,3,1,0,1) R03-M1-N09-J21
Task 1442 of 4096 (1,0,3,1,0,2) R03-M1-N09-J21
Task 1443 of 4096 (1,0,3,1,0,3) R03-M1-N09-J21
Task 1444 of 4096 (1,0,3,1,0,4) R03-M1-N09-J21
Task 1445 of 4096 (1,0,3,1,0,5) R03-M1-N09-J21
Task 1446 of 4096 (1,0,3,1,0,6) R03-M1-N09-J21
Task 1447 of 4096 (1,0,3,1,0,7) R03-M1-N09-J21
Task 1448 of 4096 (1,0,3,1,0,8) R03-M1-N09-J21
Task 1449 of 4096 (1,0,3,1,0,9) R03-M1-N09-J21
Task 1450 of 4096 (1,0,3,1,0,10) R03-M1-N09-J21
Task 1451 of 4096 (1,0,3,1,0,11) R03-M1-N09-J21
Task 1452 of 4096 (1,0,3,1,0,12) R03-M1-N09-J21
Task 1453 of 4096 (1,0,3,1,0,13) R03-M1-N09-J21
Task 1454 of 4096 (1,0,3,1,0,14) R03-M1-N09-J21
Task 1455 of 4096 (1,0,3,1,0,15) R03-M1-N09-J21
Task 1456 of 4096 (1,0,3,1,1,0) R03-M1-N09-J18
Task 1457 of 4096 (1,0,3,1,1,1) R03-M1-N09-J18
Task 1458 of 4096 (1,0,3,1,1,2) R03-M1-N09-J18
Task 1459 of 4096 (1,0,3,1,1,3) R03-M1-N09-J18
Task 1460 of 4096 (1,0,3,1,1,4) R03-M1-N09-J18
Task 1461 of 4096 (1,0,3,1,1,5) R03-M1-N09-J18
Task 1462 of 4096 (1,0,3,1,1,6) R03-M1-N09-J18
Task 1463 of 4096 (1,0,3,1,1,7) R03-M1-N09-J18
Task 1464 of 4096 (1,0,3,1,1,8) R03-M1-N09-J18
Task 1465 of 4096 (1,0,3,1,1,9) R03-M1-N09-J18
Task 1466 of 4096 (1,0,3,1,1,10) R03-M1-N09-J18
Task 1467 of 4096 (1,0,3,1,1,11) R03-M1-N09-J18
Task 1468 of 4096 (1,0,3,1,1,12) R03-M1-N09-J18
Task 1469 of 4096 (1,0,3,1,1,13) R03-M1-N09-J18
Task 1470 of 4096 (1,0,3,1,1,14) R03-M1-N09-J18
Task 1471 of 4096 (1,0,3,1,1,15) R03-M1-N09-J18
Task 1472 of 4096 (1,0,3,2,0,0) R03-M1-N11-J21
Task 1473 of 4096 (1,0,3,2,0,1) R03-M1-N11-J21
Task 1474 of 4096 (1,0,3,2,0,2) R03-M1-N11-J21
Task 1475 of 4096 (1,0,3,2,0,3) R03-M1-N11-J21
Task 1476 of 4096 (1,0,3,2,0,4) R03-M1-N11-J21
Task 1477 of 4096 (1,0,3,2,0,5) R03-M1-N11-J21
Task 1478 of 4096 (1,0,3,2,0,6) R03-M1-N11-J21
Task 1479 of 4096 (1,0,3,2,0,7) R03-M1-N11-J21
Task 1480 of 4096 (1,0,3,2,0,8) R03-M1-N11-J21
Task 1481 of 4096 (1,0,3,2,0,9) R03-M1-N11-J21
Task 1482 of 4096 (1,0,3,2,0,10) R03-M1-N11-J21
Task 1483 of 4096 (1,0,3,2,0,11) R03-M1-N11-J21
Task 1484 of 4096 (1,0,3,2,0,12) R03-M1-N11-J21
Task 1485 of 4096 (1,0,3,2,0,13) R03-M1-N11-J21
Task 1486 of 4096 (1,0,3,2,0,14) R03-M1-N11-J21
Task 1487 of 4096 (1,0,3,2,0,15) R03-M1-N11-J21
Task 1488 of 4096 (1,0,3,2,1,0) R03-M1-N11-J18
Task 1489 of 4096 (1,0,3,2,1,1) R03-M1-N11-J18
Task 1490 of 4096 (1,0,3,2,1,2) R03-M1-N11-J18
Task 1491 of 4096 (1,0,3,2,1,3) R03-M1-N11-J18
Task 1492 of 4096 (1,0,3,2,1,4) R03-M1-N11-J18
Task 1493 of 4096 (1,0,3,2,1,5) R03-M1-N11-J18
Task 1494 of 4096 (1,0,3,2,1,6) R03-M1-N11-J18
Task 1495 of 4096 (1,0,3,2,1,7) R03-M1-N11-J18
Task 1496 of 4096 (1,0,3,2,1,8) R03-M1-N11-J18
Task 1497 of 4096 (1,0,3,2,1,9) R03-M1-N11-J18
Task 1498 of 4096 (1,0,3,2,1,10) R03-M1-N11-J18
Task 1499 of 4096 (1,0,3,2,1,11) R03-M1-N11-J18
Task 1500 of 4096 (1,0,3,2,1,12) R03-M1-N11-J18
Task 1501 of 4096 (1,0,3,2,1,13) R03-M1-N11-J18
Task 1502 of 4096 (1,0,3,2,1,14) R03-M1-N11-J18
Task 1503 of 4096 (1,0,3,2,1,15) R03-M1-N11-J18
Task 1504 of 4096 (1,0,3,3,0,0) R03-M1-N11-J25
Task 1505 of 4096 (1,0,3,3,0,1) R03-M1-N11-J25
Task 1506 of 4096 (1,0,3,3,0,2) R03-M1-N11-J25
Task 1507 of 4096 (1,0,3,3,0,3) R03-M1-N11-J25
Task 1508 of 4096 (1,0,3,3,0,4) R03-M1-N11-J25
Task 1509 of 4096 (1,0,3,3,0,5) R03-M1-N11-J25
Task 1510 of 4096 (1,0,3,3,0,6) R03-M1-N11-J25
Task 1511 of 4096 (1,0,3,3,0,7) R03-M1-N11-J25
Task 1512 of 4096 (1,0,3,3,0,8) R03-M1-N11-J25
Task 1513 of 4096 (1,0,3,3,0,9) R03-M1-N11-J25
Task 1514 of 4096 (1,0,3,3,0,10) R03-M1-N11-J25
Task 1515 of 4096 (1,0,3,3,0,11) R03-M1-N11-J25
Task 1516 of 4096 (1,0,3,3,0,12) R03-M1-N11-J25
Task 1517 of 4096 (1,0,3,3,0,13) R03-M1-N11-J25
Task 1518 of 4096 (1,0,3,3,0,14) R03-M1-N11-J25
Task 1519 of 4096 (1,0,3,3,0,15) R03-M1-N11-J25
Task 1520 of 4096 (1,0,3,3,1,0) R03-M1-N11-J30
Task 1521 of 4096 (1,0,3,3,1,1) R03-M1-N11-J30
Task 1522 of 4096 (1,0,3,3,1,2) R03-M1-N11-J30
Task 1523 of 4096 (1,0,3,3,1,3) R03-M1-N11-J30
Task 1524 of 4096 (1,0,3,3,1,4) R03-M1-N11-J30
Task 1525 of 4096 (1,0,3,3,1,5) R03-M1-N11-J30
Task 1526 of 4096 (1,0,3,3,1,6) R03-M1-N11-J30
Task 1527 of 4096 (1,0,3,3,1,7) R03-M1-N11-J30
Task 1528 of 4096 (1,0,3,3,1,8) R03-M1-N11-J30
Task 1529 of 4096 (1,0,3,3,1,9) R03-M1-N11-J30
Task 1530 of 4096 (1,0,3,3,1,10) R03-M1-N11-J30
Task 1531 of 4096 (1,0,3,3,1,11) R03-M1-N11-J30
Task 1532 of 4096 (1,0,3,3,1,12) R03-M1-N11-J30
Task 1533 of 4096 (1,0,3,3,1,13) R03-M1-N11-J30
Task 1534 of 4096 (1,0,3,3,1,14) R03-M1-N11-J30
Task 1535 of 4096 (1,0,3,3,1,15) R03-M1-N11-J30
Task 1536 of 4096 (1,1,0,0,0,0) R03-M1-N08-J26
Task 1537 of 4096 (1,1,0,0,0,1) R03-M1-N08-J26
Task 1538 of 4096 (1,1,0,0,0,2) R03-M1-N08-J26
Task 1539 of 4096 (1,1,0,0,0,3) R03-M1-N08-J26
Task 1540 of 4096 (1,1,0,0,0,4) R03-M1-N08-J26
Task 1541 of 4096 (1,1,0,0,0,5) R03-M1-N08-J26
Task 1542 of 4096 (1,1,0,0,0,6) R03-M1-N08-J26
Task 1543 of 4096 (1,1,0,0,0,7) R03-M1-N08-J26
Task 1544 of 4096 (1,1,0,0,0,8) R03-M1-N08-J26
Task 1545 of 4096 (1,1,0,0,0,9) R03-M1-N08-J26
Task 1546 of 4096 (1,1,0,0,0,10) R03-M1-N08-J26
Task 1547 of 4096 (1,1,0,0,0,11) R03-M1-N08-J26
Task 1548 of 4096 (1,1,0,0,0,12) R03-M1-N08-J26
Task 1549 of 4096 (1,1,0,0,0,13) R03-M1-N08-J26
Task 1550 of 4096 (1,1,0,0,0,14) R03-M1-N08-J26
Task 1551 of 4096 (1,1,0,0,0,15) R03-M1-N08-J26
Task 1552 of 4096 (1,1,0,0,1,0) R03-M1-N08-J29
Task 1553 of 4096 (1,1,0,0,1,1) R03-M1-N08-J29
Task 1554 of 4096 (1,1,0,0,1,2) R03-M1-N08-J29
Task 1555 of 4096 (1,1,0,0,1,3) R03-M1-N08-J29
Task 1556 of 4096 (1,1,0,0,1,4) R03-M1-N08-J29
Task 1557 of 4096 (1,1,0,0,1,5) R03-M1-N08-J29
Task 1558 of 4096 (1,1,0,0,1,6) R03-M1-N08-J29
Task 1559 of 4096 (1,1,0,0,1,7) R03-M1-N08-J29
Task 1560 of 4096 (1,1,0,0,1,8) R03-M1-N08-J29
Task 1561 of 4096 (1,1,0,0,1,9) R03-M1-N08-J29
Task 1562 of 4096 (1,1,0,0,1,10) R03-M1-N08-J29
Task 1563 of 4096 (1,1,0,0,1,11) R03-M1-N08-J29
Task 1564 of 4096 (1,1,0,0,1,12) R03-M1-N08-J29
Task 1565 of 4096 (1,1,0,0,1,13) R03-M1-N08-J29
Task 1566 of 4096 (1,1,0,0,1,14) R03-M1-N08-J29
Task 1567 of 4096 (1,1,0,0,1,15) R03-M1-N08-J29
Task 1568 of 4096 (1,1,0,1,0,0) R03-M1-N08-J22
Task 1569 of 4096 (1,1,0,1,0,1) R03-M1-N08-J22
Task 1570 of 4096 (1,1,0,1,0,2) R03-M1-N08-J22
Task 1571 of 4096 (1,1,0,1,0,3) R03-M1-N08-J22
Task 1572 of 4096 (1,1,0,1,0,4) R03-M1-N08-J22
Task 1573 of 4096 (1,1,0,1,0,5) R03-M1-N08-J22
Task 1574 of 4096 (1,1,0,1,0,6) R03-M1-N08-J22
Task 1575 of 4096 (1,1,0,1,0,7) R03-M1-N08-J22
Task 1576 of 4096 (1,1,0,1,0,8) R03-M1-N08-J22
Task 1577 of 4096 (1,1,0,1,0,9) R03-M1-N08-J22
Task 1578 of 4096 (1,1,0,1,0,10) R03-M1-N08-J22
Task 1579 of 4096 (1,1,0,1,0,11) R03-M1-N08-J22
Task 1580 of 4096 (1,1,0,1,0,12) R03-M1-N08-J22
Task 1581 of 4096 (1,1,0,1,0,13) R03-M1-N08-J22
Task 1582 of 4096 (1,1,0,1,0,14) R03-M1-N08-J22
Task 1583 of 4096 (1,1,0,1,0,15) R03-M1-N08-J22
Task 1584 of 4096 (1,1,0,1,1,0) R03-M1-N08-J17
Task 1585 of 4096 (1,1,0,1,1,1) R03-M1-N08-J17
Task 1586 of 4096 (1,1,0,1,1,2) R03-M1-N08-J17
Task 1587 of 4096 (1,1,0,1,1,3) R03-M1-N08-J17
Task 1588 of 4096 (1,1,0,1,1,4) R03-M1-N08-J17
Task 1589 of 4096 (1,1,0,1,1,5) R03-M1-N08-J17
Task 1590 of 4096 (1,1,0,1,1,6) R03-M1-N08-J17
Task 1591 of 4096 (1,1,0,1,1,7) R03-M1-N08-J17
Task 1592 of 4096 (1,1,0,1,1,8) R03-M1-N08-J17
Task 1593 of 4096 (1,1,0,1,1,9) R03-M1-N08-J17
Task 1594 of 4096 (1,1,0,1,1,10) R03-M1-N08-J17
Task 1595 of 4096 (1,1,0,1,1,11) R03-M1-N08-J17
Task 1596 of 4096 (1,1,0,1,1,12) R03-M1-N08-J17
Task 1597 of 4096 (1,1,0,1,1,13) R03-M1-N08-J17
Task 1598 of 4096 (1,1,0,1,1,14) R03-M1-N08-J17
Task 1599 of 4096 (1,1,0,1,1,15) R03-M1-N08-J17
Task 1600 of 4096 (1,1,0,2,0,0) R03-M1-N10-J22
Task 1601 of 4096 (1,1,0,2,0,1) R03-M1-N10-J22
Task 1602 of 4096 (1,1,0,2,0,2) R03-M1-N10-J22
Task 1603 of 4096 (1,1,0,2,0,3) R03-M1-N10-J22
Task 1604 of 4096 (1,1,0,2,0,4) R03-M1-N10-J22
Task 1605 of 4096 (1,1,0,2,0,5) R03-M1-N10-J22
Task 1606 of 4096 (1,1,0,2,0,6) R03-M1-N10-J22
Task 1607 of 4096 (1,1,0,2,0,7) R03-M1-N10-J22
Task 1608 of 4096 (1,1,0,2,0,8) R03-M1-N10-J22
Task 1609 of 4096 (1,1,0,2,0,9) R03-M1-N10-J22
Task 1610 of 4096 (1,1,0,2,0,10) R03-M1-N10-J22
Task 1611 of 4096 (1,1,0,2,0,11) R03-M1-N10-J22
Task 1612 of 4096 (1,1,0,2,0,12) R03-M1-N10-J22
Task 1613 of 4096 (1,1,0,2,0,13) R03-M1-N10-J22
Task 1614 of 4096 (1,1,0,2,0,14) R03-M1-N10-J22
Task 1615 of 4096 (1,1,0,2,0,15) R03-M1-N10-J22
Task 1616 of 4096 (1,1,0,2,1,0) R03-M1-N10-J17
Task 1617 of 4096 (1,1,0,2,1,1) R03-M1-N10-J17
Task 1618 of 4096 (1,1,0,2,1,2) R03-M1-N10-J17
Task 1619 of 4096 (1,1,0,2,1,3) R03-M1-N10-J17
Task 1620 of 4096 (1,1,0,2,1,4) R03-M1-N10-J17
Task 1621 of 4096 (1,1,0,2,1,5) R03-M1-N10-J17
Task 1622 of 4096 (1,1,0,2,1,6) R03-M1-N10-J17
Task 1623 of 4096 (1,1,0,2,1,7) R03-M1-N10-J17
Task 1624 of 4096 (1,1,0,2,1,8) R03-M1-N10-J17
Task 1625 of 4096 (1,1,0,2,1,9) R03-M1-N10-J17
Task 1626 of 4096 (1,1,0,2,1,10) R03-M1-N10-J17
Task 1627 of 4096 (1,1,0,2,1,11) R03-M1-N10-J17
Task 1628 of 4096 (1,1,0,2,1,12) R03-M1-N10-J17
Task 1629 of 4096 (1,1,0,2,1,13) R03-M1-N10-J17
Task 1630 of 4096 (1,1,0,2,1,14) R03-M1-N10-J17
Task 1631 of 4096 (1,1,0,2,1,15) R03-M1-N10-J17
Task 1632 of 4096 (1,1,0,3,0,0) R03-M1-N10-J26
Task 1633 of 4096 (1,1,0,3,0,1) R03-M1-N10-J26
Task 1634 of 4096 (1,1,0,3,0,2) R03-M1-N10-J26
Task 1635 of 4096 (1,1,0,3,0,3) R03-M1-N10-J26
Task 1636 of 4096 (1,1,0,3,0,4) R03-M1-N10-J26
Task 1637 of 4096 (1,1,0,3,0,5) R03-M1-N10-J26
Task 1638 of 4096 (1,1,0,3,0,6) R03-M1-N10-J26
Task 1639 of 4096 (1,1,0,3,0,7) R03-M1-N10-J26
Task 1640 of 4096 (1,1,0,3,0,8) R03-M1-N10-J26
Task 1641 of 4096 (1,1,0,3,0,9) R03-M1-N10-J26
Task 1642 of 4096 (1,1,0,3,0,10) R03-M1-N10-J26
Task 1643 of 4096 (1,1,0,3,0,11) R03-M1-N10-J26
Task 1644 of 4096 (1,1,0,3,0,12) R03-M1-N10-J26
Task 1645 of 4096 (1,1,0,3,0,13) R03-M1-N10-J26
Task 1646 of 4096 (1,1,0,3,0,14) R03-M1-N10-J26
Task 1647 of 4096 (1,1,0,3,0,15) R03-M1-N10-J26
Task 1648 of 4096 (1,1,0,3,1,0) R03-M1-N10-J29
Task 1649 of 4096 (1,1,0,3,1,1) R03-M1-N10-J29
Task 1650 of 4096 (1,1,0,3,1,2) R03-M1-N10-J29
Task 1651 of 4096 (1,1,0,3,1,3) R03-M1-N10-J29
Task 1652 of 4096 (1,1,0,3,1,4) R03-M1-N10-J29
Task 1653 of 4096 (1,1,0,3,1,5) R03-M1-N10-J29
Task 1654 of 4096 (1,1,0,3,1,6) R03-M1-N10-J29
Task 1655 of 4096 (1,1,0,3,1,7) R03-M1-N10-J29
Task 1656 of 4096 (1,1,0,3,1,8) R03-M1-N10-J29
Task 1657 of 4096 (1,1,0,3,1,9) R03-M1-N10-J29
Task 1658 of 4096 (1,1,0,3,1,10) R03-M1-N10-J29
Task 1659 of 4096 (1,1,0,3,1,11) R03-M1-N10-J29
Task 1660 of 4096 (1,1,0,3,1,12) R03-M1-N10-J29
Task 1661 of 4096 (1,1,0,3,1,13) R03-M1-N10-J29
Task 1662 of 4096 (1,1,0,3,1,14) R03-M1-N10-J29
Task 1663 of 4096 (1,1,0,3,1,15) R03-M1-N10-J29
Task 1664 of 4096 (1,1,1,0,0,0) R03-M1-N08-J27
Task 1665 of 4096 (1,1,1,0,0,1) R03-M1-N08-J27
Task 1666 of 4096 (1,1,1,0,0,2) R03-M1-N08-J27
Task 1667 of 4096 (1,1,1,0,0,3) R03-M1-N08-J27
Task 1668 of 4096 (1,1,1,0,0,4) R03-M1-N08-J27
Task 1669 of 4096 (1,1,1,0,0,5) R03-M1-N08-J27
Task 1670 of 4096 (1,1,1,0,0,6) R03-M1-N08-J27
Task 1671 of 4096 (1,1,1,0,0,7) R03-M1-N08-J27
Task 1672 of 4096 (1,1,1,0,0,8) R03-M1-N08-J27
Task 1673 of 4096 (1,1,1,0,0,9) R03-M1-N08-J27
Task 1674 of 4096 (1,1,1,0,0,10) R03-M1-N08-J27
Task 1675 of 4096 (1,1,1,0,0,11) R03-M1-N08-J27
Task 1676 of 4096 (1,1,1,0,0,12) R03-M1-N08-J27
Task 1677 of 4096 (1,1,1,0,0,13) R03-M1-N08-J27
Task 1678 of 4096 (1,1,1,0,0,14) R03-M1-N08-J27
Task 1679 of 4096 (1,1,1,0,0,15) R03-M1-N08-J27
Task 1680 of 4096 (1,1,1,0,1,0) R03-M1-N08-J28
Task 1681 of 4096 (1,1,1,0,1,1) R03-M1-N08-J28
Task 1682 of 4096 (1,1,1,0,1,2) R03-M1-N08-J28
Task 1683 of 4096 (1,1,1,0,1,3) R03-M1-N08-J28
Task 1684 of 4096 (1,1,1,0,1,4) R03-M1-N08-J28
Task 1685 of 4096 (1,1,1,0,1,5) R03-M1-N08-J28
Task 1686 of 4096 (1,1,1,0,1,6) R03-M1-N08-J28
Task 1687 of 4096 (1,1,1,0,1,7) R03-M1-N08-J28
Task 1688 of 4096 (1,1,1,0,1,8) R03-M1-N08-J28
Task 1689 of 4096 (1,1,1,0,1,9) R03-M1-N08-J28
Task 1690 of 4096 (1,1,1,0,1,10) R03-M1-N08-J28
Task 1691 of 4096 (1,1,1,0,1,11) R03-M1-N08-J28
Task 1692 of 4096 (1,1,1,0,1,12) R03-M1-N08-J28
Task 1693 of 4096 (1,1,1,0,1,13) R03-M1-N08-J28
Task 1694 of 4096 (1,1,1,0,1,14) R03-M1-N08-J28
Task 1695 of 4096 (1,1,1,0,1,15) R03-M1-N08-J28
Task 1696 of 4096 (1,1,1,1,0,0) R03-M1-N08-J23
Task 1697 of 4096 (1,1,1,1,0,1) R03-M1-N08-J23
Task 1698 of 4096 (1,1,1,1,0,2) R03-M1-N08-J23
Task 1699 of 4096 (1,1,1,1,0,3) R03-M1-N08-J23
Task 1700 of 4096 (1,1,1,1,0,4) R03-M1-N08-J23
Task 1701 of 4096 (1,1,1,1,0,5) R03-M1-N08-J23
Task 1702 of 4096 (1,1,1,1,0,6) R03-M1-N08-J23
Task 1703 of 4096 (1,1,1,1,0,7) R03-M1-N08-J23
Task 1704 of 4096 (1,1,1,1,0,8) R03-M1-N08-J23
Task 1705 of 4096 (1,1,1,1,0,9) R03-M1-N08-J23
Task 1706 of 4096 (1,1,1,1,0,10) R03-M1-N08-J23
Task 1707 of 4096 (1,1,1,1,0,11) R03-M1-N08-J23
Task 1708 of 4096 (1,1,1,1,0,12) R03-M1-N08-J23
Task 1709 of 4096 (1,1,1,1,0,13) R03-M1-N08-J23
Task 1710 of 4096 (1,1,1,1,0,14) R03-M1-N08-J23
Task 1711 of 4096 (1,1,1,1,0,15) R03-M1-N08-J23
Task 1712 of 4096 (1,1,1,1,1,0) R03-M1-N08-J16
Task 1713 of 4096 (1,1,1,1,1,1) R03-M1-N08-J16
Task 1714 of 4096 (1,1,1,1,1,2) R03-M1-N08-J16
Task 1715 of 4096 (1,1,1,1,1,3) R03-M1-N08-J16
Task 1716 of 4096 (1,1,1,1,1,4) R03-M1-N08-J16
Task 1717 of 4096 (1,1,1,1,1,5) R03-M1-N08-J16
Task 1718 of 4096 (1,1,1,1,1,6) R03-M1-N08-J16
Task 1719 of 4096 (1,1,1,1,1,7) R03-M1-N08-J16
Task 1720 of 4096 (1,1,1,1,1,8) R03-M1-N08-J16
Task 1721 of 4096 (1,1,1,1,1,9) R03-M1-N08-J16
Task 1722 of 4096 (1,1,1,1,1,10) R03-M1-N08-J16
Task 1723 of 4096 (1,1,1,1,1,11) R03-M1-N08-J16
Task 1724 of 4096 (1,1,1,1,1,12) R03-M1-N08-J16
Task 1725 of 4096 (1,1,1,1,1,13) R03-M1-N08-J16
Task 1726 of 4096 (1,1,1,1,1,14) R03-M1-N08-J16
Task 1727 of 4096 (1,1,1,1,1,15) R03-M1-N08-J16
Task 1728 of 4096 (1,1,1,2,0,0) R03-M1-N10-J23
Task 1729 of 4096 (1,1,1,2,0,1) R03-M1-N10-J23
Task 1730 of 4096 (1,1,1,2,0,2) R03-M1-N10-J23
Task 1731 of 4096 (1,1,1,2,0,3) R03-M1-N10-J23
Task 1732 of 4096 (1,1,1,2,0,4) R03-M1-N10-J23
Task 1733 of 4096 (1,1,1,2,0,5) R03-M1-N10-J23
Task 1734 of 4096 (1,1,1,2,0,6) R03-M1-N10-J23
Task 1735 of 4096 (1,1,1,2,0,7) R03-M1-N10-J23
Task 1736 of 4096 (1,1,1,2,0,8) R03-M1-N10-J23
Task 1737 of 4096 (1,1,1,2,0,9) R03-M1-N10-J23
Task 1738 of 4096 (1,1,1,2,0,10) R03-M1-N10-J23
Task 1739 of 4096 (1,1,1,2,0,11) R03-M1-N10-J23
Task 1740 of 4096 (1,1,1,2,0,12) R03-M1-N10-J23
Task 1741 of 4096 (1,1,1,2,0,13) R03-M1-N10-J23
Task 1742 of 4096 (1,1,1,2,0,14) R03-M1-N10-J23
Task 1743 of 4096 (1,1,1,2,0,15) R03-M1-N10-J23
Task 1744 of 4096 (1,1,1,2,1,0) R03-M1-N10-J16
Task 1745 of 4096 (1,1,1,2,1,1) R03-M1-N10-J16
Task 1746 of 4096 (1,1,1,2,1,2) R03-M1-N10-J16
Task 1747 of 4096 (1,1,1,2,1,3) R03-M1-N10-J16
Task 1748 of 4096 (1,1,1,2,1,4) R03-M1-N10-J16
Task 1749 of 4096 (1,1,1,2,1,5) R03-M1-N10-J16
Task 1750 of 4096 (1,1,1,2,1,6) R03-M1-N10-J16
Task 1751 of 4096 (1,1,1,2,1,7) R03-M1-N10-J16
Task 1752 of 4096 (1,1,1,2,1,8) R03-M1-N10-J16
Task 1753 of 4096 (1,1,1,2,1,9) R03-M1-N10-J16
Task 1754 of 4096 (1,1,1,2,1,10) R03-M1-N10-J16
Task 1755 of 4096 (1,1,1,2,1,11) R03-M1-N10-J16
Task 1756 of 4096 (1,1,1,2,1,12) R03-M1-N10-J16
Task 1757 of 4096 (1,1,1,2,1,13) R03-M1-N10-J16
Task 1758 of 4096 (1,1,1,2,1,14) R03-M1-N10-J16
Task 1759 of 4096 (1,1,1,2,1,15) R03-M1-N10-J16
Task 1760 of 4096 (1,1,1,3,0,0) R03-M1-N10-J27
Task 1761 of 4096 (1,1,1,3,0,1) R03-M1-N10-J27
Task 1762 of 4096 (1,1,1,3,0,2) R03-M1-N10-J27
Task 1763 of 4096 (1,1,1,3,0,3) R03-M1-N10-J27
Task 1764 of 4096 (1,1,1,3,0,4) R03-M1-N10-J27
Task 1765 of 4096 (1,1,1,3,0,5) R03-M1-N10-J27
Task 1766 of 4096 (1,1,1,3,0,6) R03-M1-N10-J27
Task 1767 of 4096 (1,1,1,3,0,7) R03-M1-N10-J27
Task 1768 of 4096 (1,1,1,3,0,8) R03-M1-N10-J27
Task 1769 of 4096 (1,1,1,3,0,9) R03-M1-N10-J27
Task 1770 of 4096 (1,1,1,3,0,10) R03-M1-N10-J27
Task 1771 of 4096 (1,1,1,3,0,11) R03-M1-N10-J27
Task 1772 of 4096 (1,1,1,3,0,12) R03-M1-N10-J27
Task 1773 of 4096 (1,1,1,3,0,13) R03-M1-N10-J27
Task 1774 of 4096 (1,1,1,3,0,14) R03-M1-N10-J27
Task 1775 of 4096 (1,1,1,3,0,15) R03-M1-N10-J27
Task 1776 of 4096 (1,1,1,3,1,0) R03-M1-N10-J28
Task 1777 of 4096 (1,1,1,3,1,1) R03-M1-N10-J28
Task 1778 of 4096 (1,1,1,3,1,2) R03-M1-N10-J28
Task 1779 of 4096 (1,1,1,3,1,3) R03-M1-N10-J28
Task 1780 of 4096 (1,1,1,3,1,4) R03-M1-N10-J28
Task 1781 of 4096 (1,1,1,3,1,5) R03-M1-N10-J28
Task 1782 of 4096 (1,1,1,3,1,6) R03-M1-N10-J28
Task 1783 of 4096 (1,1,1,3,1,7) R03-M1-N10-J28
Task 1784 of 4096 (1,1,1,3,1,8) R03-M1-N10-J28
Task 1785 of 4096 (1,1,1,3,1,9) R03-M1-N10-J28
Task 1786 of 4096 (1,1,1,3,1,10) R03-M1-N10-J28
Task 1787 of 4096 (1,1,1,3,1,11) R03-M1-N10-J28
Task 1788 of 4096 (1,1,1,3,1,12) R03-M1-N10-J28
Task 1789 of 4096 (1,1,1,3,1,13) R03-M1-N10-J28
Task 1790 of 4096 (1,1,1,3,1,14) R03-M1-N10-J28
Task 1791 of 4096 (1,1,1,3,1,15) R03-M1-N10-J28
Task 1792 of 4096 (1,1,2,0,0,0) R03-M1-N09-J27
Task 1793 of 4096 (1,1,2,0,0,1) R03-M1-N09-J27
Task 1794 of 4096 (1,1,2,0,0,2) R03-M1-N09-J27
Task 1795 of 4096 (1,1,2,0,0,3) R03-M1-N09-J27
Task 1796 of 4096 (1,1,2,0,0,4) R03-M1-N09-J27
Task 1797 of 4096 (1,1,2,0,0,5) R03-M1-N09-J27
Task 1798 of 4096 (1,1,2,0,0,6) R03-M1-N09-J27
Task 1799 of 4096 (1,1,2,0,0,7) R03-M1-N09-J27
Task 1800 of 4096 (1,1,2,0,0,8) R03-M1-N09-J27
Task 1801 of 4096 (1,1,2,0,0,9) R03-M1-N09-J27
Task 1802 of 4096 (1,1,2,0,0,10) R03-M1-N09-J27
Task 1803 of 4096 (1,1,2,0,0,11) R03-M1-N09-J27
Task 1804 of 4096 (1,1,2,0,0,12) R03-M1-N09-J27
Task 1805 of 4096 (1,1,2,0,0,13) R03-M1-N09-J27
Task 1806 of 4096 (1,1,2,0,0,14) R03-M1-N09-J27
Task 1807 of 4096 (1,1,2,0,0,15) R03-M1-N09-J27
Task 1808 of 4096 (1,1,2,0,1,0) R03-M1-N09-J28
Task 1809 of 4096 (1,1,2,0,1,1) R03-M1-N09-J28
Task 1810 of 4096 (1,1,2,0,1,2) R03-M1-N09-J28
Task 1811 of 4096 (1,1,2,0,1,3) R03-M1-N09-J28
Task 1812 of 4096 (1,1,2,0,1,4) R03-M1-N09-J28
Task 1813 of 4096 (1,1,2,0,1,5) R03-M1-N09-J28
Task 1814 of 4096 (1,1,2,0,1,6) R03-M1-N09-J28
Task 1815 of 4096 (1,1,2,0,1,7) R03-M1-N09-J28
Task 1816 of 4096 (1,1,2,0,1,8) R03-M1-N09-J28
Task 1817 of 4096 (1,1,2,0,1,9) R03-M1-N09-J28
Task 1818 of 4096 (1,1,2,0,1,10) R03-M1-N09-J28
Task 1819 of 4096 (1,1,2,0,1,11) R03-M1-N09-J28
Task 1820 of 4096 (1,1,2,0,1,12) R03-M1-N09-J28
Task 1821 of 4096 (1,1,2,0,1,13) R03-M1-N09-J28
Task 1822 of 4096 (1,1,2,0,1,14) R03-M1-N09-J28
Task 1823 of 4096 (1,1,2,0,1,15) R03-M1-N09-J28
Task 1824 of 4096 (1,1,2,1,0,0) R03-M1-N09-J23
Task 1825 of 4096 (1,1,2,1,0,1) R03-M1-N09-J23
Task 1826 of 4096 (1,1,2,1,0,2) R03-M1-N09-J23
Task 1827 of 4096 (1,1,2,1,0,3) R03-M1-N09-J23
Task 1828 of 4096 (1,1,2,1,0,4) R03-M1-N09-J23
Task 1829 of 4096 (1,1,2,1,0,5) R03-M1-N09-J23
Task 1830 of 4096 (1,1,2,1,0,6) R03-M1-N09-J23
Task 1831 of 4096 (1,1,2,1,0,7) R03-M1-N09-J23
Task 1832 of 4096 (1,1,2,1,0,8) R03-M1-N09-J23
Task 1833 of 4096 (1,1,2,1,0,9) R03-M1-N09-J23
Task 1834 of 4096 (1,1,2,1,0,10) R03-M1-N09-J23
Task 1835 of 4096 (1,1,2,1,0,11) R03-M1-N09-J23
Task 1836 of 4096 (1,1,2,1,0,12) R03-M1-N09-J23
Task 1837 of 4096 (1,1,2,1,0,13) R03-M1-N09-J23
Task 1838 of 4096 (1,1,2,1,0,14) R03-M1-N09-J23
Task 1839 of 4096 (1,1,2,1,0,15) R03-M1-N09-J23
Task 1840 of 4096 (1,1,2,1,1,0) R03-M1-N09-J16
Task 1841 of 4096 (1,1,2,1,1,1) R03-M1-N09-J16
Task 1842 of 4096 (1,1,2,1,1,2) R03-M1-N09-J16
Task 1843 of 4096 (1,1,2,1,1,3) R03-M1-N09-J16
Task 1844 of 4096 (1,1,2,1,1,4) R03-M1-N09-J16
Task 1845 of 4096 (1,1,2,1,1,5) R03-M1-N09-J16
Task 1846 of 4096 (1,1,2,1,1,6) R03-M1-N09-J16
Task 1847 of 4096 (1,1,2,1,1,7) R03-M1-N09-J16
Task 1848 of 4096 (1,1,2,1,1,8) R03-M1-N09-J16
Task 1849 of 4096 (1,1,2,1,1,9) R03-M1-N09-J16
Task 1850 of 4096 (1,1,2,1,1,10) R03-M1-N09-J16
Task 1851 of 4096 (1,1,2,1,1,11) R03-M1-N09-J16
Task 1852 of 4096 (1,1,2,1,1,12) R03-M1-N09-J16
Task 1853 of 4096 (1,1,2,1,1,13) R03-M1-N09-J16
Task 1854 of 4096 (1,1,2,1,1,14) R03-M1-N09-J16
Task 1855 of 4096 (1,1,2,1,1,15) R03-M1-N09-J16
Task 1856 of 4096 (1,1,2,2,0,0) R03-M1-N11-J23
Task 1857 of 4096 (1,1,2,2,0,1) R03-M1-N11-J23
Task 1858 of 4096 (1,1,2,2,0,2) R03-M1-N11-J23
Task 1859 of 4096 (1,1,2,2,0,3) R03-M1-N11-J23
Task 1860 of 4096 (1,1,2,2,0,4) R03-M1-N11-J23
Task 1861 of 4096 (1,1,2,2,0,5) R03-M1-N11-J23
Task 1862 of 4096 (1,1,2,2,0,6) R03-M1-N11-J23
Task 1863 of 4096 (1,1,2,2,0,7) R03-M1-N11-J23
Task 1864 of 4096 (1,1,2,2,0,8) R03-M1-N11-J23
Task 1865 of 4096 (1,1,2,2,0,9) R03-M1-N11-J23
Task 1866 of 4096 (1,1,2,2,0,10) R03-M1-N11-J23
Task 1867 of 4096 (1,1,2,2,0,11) R03-M1-N11-J23
Task 1868 of 4096 (1,1,2,2,0,12) R03-M1-N11-J23
Task 1869 of 4096 (1,1,2,2,0,13) R03-M1-N11-J23
Task 1870 of 4096 (1,1,2,2,0,14) R03-M1-N11-J23
Task 1871 of 4096 (1,1,2,2,0,15) R03-M1-N11-J23
Task 1872 of 4096 (1,1,2,2,1,0) R03-M1-N11-J16
Task 1873 of 4096 (1,1,2,2,1,1) R03-M1-N11-J16
Task 1874 of 4096 (1,1,2,2,1,2) R03-M1-N11-J16
Task 1875 of 4096 (1,1,2,2,1,3) R03-M1-N11-J16
Task 1876 of 4096 (1,1,2,2,1,4) R03-M1-N11-J16
Task 1877 of 4096 (1,1,2,2,1,5) R03-M1-N11-J16
Task 1878 of 4096 (1,1,2,2,1,6) R03-M1-N11-J16
Task 1879 of 4096 (1,1,2,2,1,7) R03-M1-N11-J16
Task 1880 of 4096 (1,1,2,2,1,8) R03-M1-N11-J16
Task 1881 of 4096 (1,1,2,2,1,9) R03-M1-N11-J16
Task 1882 of 4096 (1,1,2,2,1,10) R03-M1-N11-J16
Task 1883 of 4096 (1,1,2,2,1,11) R03-M1-N11-J16
Task 1884 of 4096 (1,1,2,2,1,12) R03-M1-N11-J16
Task 1885 of 4096 (1,1,2,2,1,13) R03-M1-N11-J16
Task 1886 of 4096 (1,1,2,2,1,14) R03-M1-N11-J16
Task 1887 of 4096 (1,1,2,2,1,15) R03-M1-N11-J16
Task 1888 of 4096 (1,1,2,3,0,0) R03-M1-N11-J27
Task 1889 of 4096 (1,1,2,3,0,1) R03-M1-N11-J27
Task 1890 of 4096 (1,1,2,3,0,2) R03-M1-N11-J27
Task 1891 of 4096 (1,1,2,3,0,3) R03-M1-N11-J27
Task 1892 of 4096 (1,1,2,3,0,4) R03-M1-N11-J27
Task 1893 of 4096 (1,1,2,3,0,5) R03-M1-N11-J27
Task 1894 of 4096 (1,1,2,3,0,6) R03-M1-N11-J27
Task 1895 of 4096 (1,1,2,3,0,7) R03-M1-N11-J27
Task 1896 of 4096 (1,1,2,3,0,8) R03-M1-N11-J27
Task 1897 of 4096 (1,1,2,3,0,9) R03-M1-N11-J27
Task 1898 of 4096 (1,1,2,3,0,10) R03-M1-N11-J27
Task 1899 of 4096 (1,1,2,3,0,11) R03-M1-N11-J27
Task 1900 of 4096 (1,1,2,3,0,12) R03-M1-N11-J27
Task 1901 of 4096 (1,1,2,3,0,13) R03-M1-N11-J27
Task 1902 of 4096 (1,1,2,3,0,14) R03-M1-N11-J27
Task 1903 of 4096 (1,1,2,3,0,15) R03-M1-N11-J27
Task 1904 of 4096 (1,1,2,3,1,0) R03-M1-N11-J28
Task 1905 of 4096 (1,1,2,3,1,1) R03-M1-N11-J28
Task 1906 of 4096 (1,1,2,3,1,2) R03-M1-N11-J28
Task 1907 of 4096 (1,1,2,3,1,3) R03-M1-N11-J28
Task 1908 of 4096 (1,1,2,3,1,4) R03-M1-N11-J28
Task 1909 of 4096 (1,1,2,3,1,5) R03-M1-N11-J28
Task 1910 of 4096 (1,1,2,3,1,6) R03-M1-N11-J28
Task 1911 of 4096 (1,1,2,3,1,7) R03-M1-N11-J28
Task 1912 of 4096 (1,1,2,3,1,8) R03-M1-N11-J28
Task 1913 of 4096 (1,1,2,3,1,9) R03-M1-N11-J28
Task 1914 of 4096 (1,1,2,3,1,10) R03-M1-N11-J28
Task 1915 of 4096 (1,1,2,3,1,11) R03-M1-N11-J28
Task 1916 of 4096 (1,1,2,3,1,12) R03-M1-N11-J28
Task 1917 of 4096 (1,1,2,3,1,13) R03-M1-N11-J28
Task 1918 of 4096 (1,1,2,3,1,14) R03-M1-N11-J28
Task 1919 of 4096 (1,1,2,3,1,15) R03-M1-N11-J28
Task 1920 of 4096 (1,1,3,0,0,0) R03-M1-N09-J26
Task 1921 of 4096 (1,1,3,0,0,1) R03-M1-N09-J26
Task 1922 of 4096 (1,1,3,0,0,2) R03-M1-N09-J26
Task 1923 of 4096 (1,1,3,0,0,3) R03-M1-N09-J26
Task 1924 of 4096 (1,1,3,0,0,4) R03-M1-N09-J26
Task 1925 of 4096 (1,1,3,0,0,5) R03-M1-N09-J26
Task 1926 of 4096 (1,1,3,0,0,6) R03-M1-N09-J26
Task 1927 of 4096 (1,1,3,0,0,7) R03-M1-N09-J26
Task 1928 of 4096 (1,1,3,0,0,8) R03-M1-N09-J26
Task 1929 of 4096 (1,1,3,0,0,9) R03-M1-N09-J26
Task 1930 of 4096 (1,1,3,0,0,10) R03-M1-N09-J26
Task 1931 of 4096 (1,1,3,0,0,11) R03-M1-N09-J26
Task 1932 of 4096 (1,1,3,0,0,12) R03-M1-N09-J26
Task 1933 of 4096 (1,1,3,0,0,13) R03-M1-N09-J26
Task 1934 of 4096 (1,1,3,0,0,14) R03-M1-N09-J26
Task 1935 of 4096 (1,1,3,0,0,15) R03-M1-N09-J26
Task 1936 of 4096 (1,1,3,0,1,0) R03-M1-N09-J29
Task 1937 of 4096 (1,1,3,0,1,1) R03-M1-N09-J29
Task 1938 of 4096 (1,1,3,0,1,2) R03-M1-N09-J29
Task 1939 of 4096 (1,1,3,0,1,3) R03-M1-N09-J29
Task 1940 of 4096 (1,1,3,0,1,4) R03-M1-N09-J29
Task 1941 of 4096 (1,1,3,0,1,5) R03-M1-N09-J29
Task 1942 of 4096 (1,1,3,0,1,6) R03-M1-N09-J29
Task 1943 of 4096 (1,1,3,0,1,7) R03-M1-N09-J29
Task 1944 of 4096 (1,1,3,0,1,8) R03-M1-N09-J29
Task 1945 of 4096 (1,1,3,0,1,9) R03-M1-N09-J29
Task 1946 of 4096 (1,1,3,0,1,10) R03-M1-N09-J29
Task 1947 of 4096 (1,1,3,0,1,11) R03-M1-N09-J29
Task 1948 of 4096 (1,1,3,0,1,12) R03-M1-N09-J29
Task 1949 of 4096 (1,1,3,0,1,13) R03-M1-N09-J29
Task 1950 of 4096 (1,1,3,0,1,14) R03-M1-N09-J29
Task 1951 of 4096 (1,1,3,0,1,15) R03-M1-N09-J29
Task 1952 of 4096 (1,1,3,1,0,0) R03-M1-N09-J22
Task 1953 of 4096 (1,1,3,1,0,1) R03-M1-N09-J22
Task 1954 of 4096 (1,1,3,1,0,2) R03-M1-N09-J22
Task 1955 of 4096 (1,1,3,1,0,3) R03-M1-N09-J22
Task 1956 of 4096 (1,1,3,1,0,4) R03-M1-N09-J22
Task 1957 of 4096 (1,1,3,1,0,5) R03-M1-N09-J22
Task 1958 of 4096 (1,1,3,1,0,6) R03-M1-N09-J22
Task 1959 of 4096 (1,1,3,1,0,7) R03-M1-N09-J22
Task 1960 of 4096 (1,1,3,1,0,8) R03-M1-N09-J22
Task 1961 of 4096 (1,1,3,1,0,9) R03-M1-N09-J22
Task 1962 of 4096 (1,1,3,1,0,10) R03-M1-N09-J22
Task 1963 of 4096 (1,1,3,1,0,11) R03-M1-N09-J22
Task 1964 of 4096 (1,1,3,1,0,12) R03-M1-N09-J22
Task 1965 of 4096 (1,1,3,1,0,13) R03-M1-N09-J22
Task 1966 of 4096 (1,1,3,1,0,14) R03-M1-N09-J22
Task 1967 of 4096 (1,1,3,1,0,15) R03-M1-N09-J22
Task 1968 of 4096 (1,1,3,1,1,0) R03-M1-N09-J17
Task 1969 of 4096 (1,1,3,1,1,1) R03-M1-N09-J17
Task 1970 of 4096 (1,1,3,1,1,2) R03-M1-N09-J17
Task 1971 of 4096 (1,1,3,1,1,3) R03-M1-N09-J17
Task 1972 of 4096 (1,1,3,1,1,4) R03-M1-N09-J17
Task 1973 of 4096 (1,1,3,1,1,5) R03-M1-N09-J17
Task 1974 of 4096 (1,1,3,1,1,6) R03-M1-N09-J17
Task 1975 of 4096 (1,1,3,1,1,7) R03-M1-N09-J17
Task 1976 of 4096 (1,1,3,1,1,8) R03-M1-N09-J17
Task 1977 of 4096 (1,1,3,1,1,9) R03-M1-N09-J17
Task 1978 of 4096 (1,1,3,1,1,10) R03-M1-N09-J17
Task 1979 of 4096 (1,1,3,1,1,11) R03-M1-N09-J17
Task 1980 of 4096 (1,1,3,1,1,12) R03-M1-N09-J17
Task 1981 of 4096 (1,1,3,1,1,13) R03-M1-N09-J17
Task 1982 of 4096 (1,1,3,1,1,14) R03-M1-N09-J17
Task 1983 of 4096 (1,1,3,1,1,15) R03-M1-N09-J17
Task 1984 of 4096 (1,1,3,2,0,0) R03-M1-N11-J22
Task 1985 of 4096 (1,1,3,2,0,1) R03-M1-N11-J22
Task 1986 of 4096 (1,1,3,2,0,2) R03-M1-N11-J22
Task 1987 of 4096 (1,1,3,2,0,3) R03-M1-N11-J22
Task 1988 of 4096 (1,1,3,2,0,4) R03-M1-N11-J22
Task 1989 of 4096 (1,1,3,2,0,5) R03-M1-N11-J22
Task 1990 of 4096 (1,1,3,2,0,6) R03-M1-N11-J22
Task 1991 of 4096 (1,1,3,2,0,7) R03-M1-N11-J22
Task 1992 of 4096 (1,1,3,2,0,8) R03-M1-N11-J22
Task 1993 of 4096 (1,1,3,2,0,9) R03-M1-N11-J22
Task 1994 of 4096 (1,1,3,2,0,10) R03-M1-N11-J22
Task 1995 of 4096 (1,1,3,2,0,11) R03-M1-N11-J22
Task 1996 of 4096 (1,1,3,2,0,12) R03-M1-N11-J22
Task 1997 of 4096 (1,1,3,2,0,13) R03-M1-N11-J22
Task 1998 of 4096 (1,1,3,2,0,14) R03-M1-N11-J22
Task 1999 of 4096 (1,1,3,2,0,15) R03-M1-N11-J22
Task 2000 of 4096 (1,1,3,2,1,0) R03-M1-N11-J17
Task 2001 of 4096 (1,1,3,2,1,1) R03-M1-N11-J17
Task 2002 of 4096 (1,1,3,2,1,2) R03-M1-N11-J17
Task 2003 of 4096 (1,1,3,2,1,3) R03-M1-N11-J17
Task 2004 of 4096 (1,1,3,2,1,4) R03-M1-N11-J17
Task 2005 of 4096 (1,1,3,2,1,5) R03-M1-N11-J17
Task 2006 of 4096 (1,1,3,2,1,6) R03-M1-N11-J17
Task 2007 of 4096 (1,1,3,2,1,7) R03-M1-N11-J17
Task 2008 of 4096 (1,1,3,2,1,8) R03-M1-N11-J17
Task 2009 of 4096 (1,1,3,2,1,9) R03-M1-N11-J17
Task 2010 of 4096 (1,1,3,2,1,10) R03-M1-N11-J17
Task 2011 of 4096 (1,1,3,2,1,11) R03-M1-N11-J17
Task 2012 of 4096 (1,1,3,2,1,12) R03-M1-N11-J17
Task 2013 of 4096 (1,1,3,2,1,13) R03-M1-N11-J17
Task 2014 of 4096 (1,1,3,2,1,14) R03-M1-N11-J17
Task 2015 of 4096 (1,1,3,2,1,15) R03-M1-N11-J17
Task 2016 of 4096 (1,1,3,3,0,0) R03-M1-N11-J26
Task 2017 of 4096 (1,1,3,3,0,1) R03-M1-N11-J26
Task 2018 of 4096 (1,1,3,3,0,2) R03-M1-N11-J26
Task 2019 of 4096 (1,1,3,3,0,3) R03-M1-N11-J26
Task 2020 of 4096 (1,1,3,3,0,4) R03-M1-N11-J26
Task 2021 of 4096 (1,1,3,3,0,5) R03-M1-N11-J26
Task 2022 of 4096 (1,1,3,3,0,6) R03-M1-N11-J26
Task 2023 of 4096 (1,1,3,3,0,7) R03-M1-N11-J26
Task 2024 of 4096 (1,1,3,3,0,8) R03-M1-N11-J26
Task 2025 of 4096 (1,1,3,3,0,9) R03-M1-N11-J26
Task 2026 of 4096 (1,1,3,3,0,10) R03-M1-N11-J26
Task 2027 of 4096 (1,1,3,3,0,11) R03-M1-N11-J26
Task 2028 of 4096 (1,1,3,3,0,12) R03-M1-N11-J26
Task 2029 of 4096 (1,1,3,3,0,13) R03-M1-N11-J26
Task 2030 of 4096 (1,1,3,3,0,14) R03-M1-N11-J26
Task 2031 of 4096 (1,1,3,3,0,15) R03-M1-N11-J26
Task 2032 of 4096 (1,1,3,3,1,0) R03-M1-N11-J29
Task 2033 of 4096 (1,1,3,3,1,1) R03-M1-N11-J29
Task 2034 of 4096 (1,1,3,3,1,2) R03-M1-N11-J29
Task 2035 of 4096 (1,1,3,3,1,3) R03-M1-N11-J29
Task 2036 of 4096 (1,1,3,3,1,4) R03-M1-N11-J29
Task 2037 of 4096 (1,1,3,3,1,5) R03-M1-N11-J29
Task 2038 of 4096 (1,1,3,3,1,6) R03-M1-N11-J29
Task 2039 of 4096 (1,1,3,3,1,7) R03-M1-N11-J29
Task 2040 of 4096 (1,1,3,3,1,8) R03-M1-N11-J29
Task 2041 of 4096 (1,1,3,3,1,9) R03-M1-N11-J29
Task 2042 of 4096 (1,1,3,3,1,10) R03-M1-N11-J29
Task 2043 of 4096 (1,1,3,3,1,11) R03-M1-N11-J29
Task 2044 of 4096 (1,1,3,3,1,12) R03-M1-N11-J29
Task 2045 of 4096 (1,1,3,3,1,13) R03-M1-N11-J29
Task 2046 of 4096 (1,1,3,3,1,14) R03-M1-N11-J29
Task 2047 of 4096 (1,1,3,3,1,15) R03-M1-N11-J29
Task 2048 of 4096 (2,0,0,0,0,0) R03-M1-N12-J25
Task 2049 of 4096 (2,0,0,0,0,1) R03-M1-N12-J25
Task 2050 of 4096 (2,0,0,0,0,2) R03-M1-N12-J25
Task 2051 of 4096 (2,0,0,0,0,3) R03-M1-N12-J25
Task 2052 of 4096 (2,0,0,0,0,4) R03-M1-N12-J25
Task 2053 of 4096 (2,0,0,0,0,5) R03-M1-N12-J25
Task 2054 of 4096 (2,0,0,0,0,6) R03-M1-N12-J25
Task 2055 of 4096 (2,0,0,0,0,7) R03-M1-N12-J25
Task 2056 of 4096 (2,0,0,0,0,8) R03-M1-N12-J25
Task 2057 of 4096 (2,0,0,0,0,9) R03-M1-N12-J25
Task 2058 of 4096 (2,0,0,0,0,10) R03-M1-N12-J25
Task 2059 of 4096 (2,0,0,0,0,11) R03-M1-N12-J25
Task 2060 of 4096 (2,0,0,0,0,12) R03-M1-N12-J25
Task 2061 of 4096 (2,0,0,0,0,13) R03-M1-N12-J25
Task 2062 of 4096 (2,0,0,0,0,14) R03-M1-N12-J25
Task 2063 of 4096 (2,0,0,0,0,15) R03-M1-N12-J25
Task 2064 of 4096 (2,0,0,0,1,0) R03-M1-N12-J30
Task 2065 of 4096 (2,0,0,0,1,1) R03-M1-N12-J30
Task 2066 of 4096 (2,0,0,0,1,2) R03-M1-N12-J30
Task 2067 of 4096 (2,0,0,0,1,3) R03-M1-N12-J30
Task 2068 of 4096 (2,0,0,0,1,4) R03-M1-N12-J30
Task 2069 of 4096 (2,0,0,0,1,5) R03-M1-N12-J30
Task 2070 of 4096 (2,0,0,0,1,6) R03-M1-N12-J30
Task 2071 of 4096 (2,0,0,0,1,7) R03-M1-N12-J30
Task 2072 of 4096 (2,0,0,0,1,8) R03-M1-N12-J30
Task 2073 of 4096 (2,0,0,0,1,9) R03-M1-N12-J30
Task 2074 of 4096 (2,0,0,0,1,10) R03-M1-N12-J30
Task 2075 of 4096 (2,0,0,0,1,11) R03-M1-N12-J30
Task 2076 of 4096 (2,0,0,0,1,12) R03-M1-N12-J30
Task 2077 of 4096 (2,0,0,0,1,13) R03-M1-N12-J30
Task 2078 of 4096 (2,0,0,0,1,14) R03-M1-N12-J30
Task 2079 of 4096 (2,0,0,0,1,15) R03-M1-N12-J30
Task 2080 of 4096 (2,0,0,1,0,0) R03-M1-N12-J21
Task 2081 of 4096 (2,0,0,1,0,1) R03-M1-N12-J21
Task 2082 of 4096 (2,0,0,1,0,2) R03-M1-N12-J21
Task 2083 of 4096 (2,0,0,1,0,3) R03-M1-N12-J21
Task 2084 of 4096 (2,0,0,1,0,4) R03-M1-N12-J21
Task 2085 of 4096 (2,0,0,1,0,5) R03-M1-N12-J21
Task 2086 of 4096 (2,0,0,1,0,6) R03-M1-N12-J21
Task 2087 of 4096 (2,0,0,1,0,7) R03-M1-N12-J21
Task 2088 of 4096 (2,0,0,1,0,8) R03-M1-N12-J21
Task 2089 of 4096 (2,0,0,1,0,9) R03-M1-N12-J21
Task 2090 of 4096 (2,0,0,1,0,10) R03-M1-N12-J21
Task 2091 of 4096 (2,0,0,1,0,11) R03-M1-N12-J21
Task 2092 of 4096 (2,0,0,1,0,12) R03-M1-N12-J21
Task 2093 of 4096 (2,0,0,1,0,13) R03-M1-N12-J21
Task 2094 of 4096 (2,0,0,1,0,14) R03-M1-N12-J21
Task 2095 of 4096 (2,0,0,1,0,15) R03-M1-N12-J21
Task 2096 of 4096 (2,0,0,1,1,0) R03-M1-N12-J18
Task 2097 of 4096 (2,0,0,1,1,1) R03-M1-N12-J18
Task 2098 of 4096 (2,0,0,1,1,2) R03-M1-N12-J18
Task 2099 of 4096 (2,0,0,1,1,3) R03-M1-N12-J18
Task 2100 of 4096 (2,0,0,1,1,4) R03-M1-N12-J18
Task 2101 of 4096 (2,0,0,1,1,5) R03-M1-N12-J18
Task 2102 of 4096 (2,0,0,1,1,6) R03-M1-N12-J18
Task 2103 of 4096 (2,0,0,1,1,7) R03-M1-N12-J18
Task 2104 of 4096 (2,0,0,1,1,8) R03-M1-N12-J18
Task 2105 of 4096 (2,0,0,1,1,9) R03-M1-N12-J18
Task 2106 of 4096 (2,0,0,1,1,10) R03-M1-N12-J18
Task 2107 of 4096 (2,0,0,1,1,11) R03-M1-N12-J18
Task 2108 of 4096 (2,0,0,1,1,12) R03-M1-N12-J18
Task 2109 of 4096 (2,0,0,1,1,13) R03-M1-N12-J18
Task 2110 of 4096 (2,0,0,1,1,14) R03-M1-N12-J18
Task 2111 of 4096 (2,0,0,1,1,15) R03-M1-N12-J18
Task 2112 of 4096 (2,0,0,2,0,0) R03-M1-N14-J21
Task 2113 of 4096 (2,0,0,2,0,1) R03-M1-N14-J21
Task 2114 of 4096 (2,0,0,2,0,2) R03-M1-N14-J21
Task 2115 of 4096 (2,0,0,2,0,3) R03-M1-N14-J21
Task 2116 of 4096 (2,0,0,2,0,4) R03-M1-N14-J21
Task 2117 of 4096 (2,0,0,2,0,5) R03-M1-N14-J21
Task 2118 of 4096 (2,0,0,2,0,6) R03-M1-N14-J21
Task 2119 of 4096 (2,0,0,2,0,7) R03-M1-N14-J21
Task 2120 of 4096 (2,0,0,2,0,8) R03-M1-N14-J21
Task 2121 of 4096 (2,0,0,2,0,9) R03-M1-N14-J21
Task 2122 of 4096 (2,0,0,2,0,10) R03-M1-N14-J21
Task 2123 of 4096 (2,0,0,2,0,11) R03-M1-N14-J21
Task 2124 of 4096 (2,0,0,2,0,12) R03-M1-N14-J21
Task 2125 of 4096 (2,0,0,2,0,13) R03-M1-N14-J21
Task 2126 of 4096 (2,0,0,2,0,14) R03-M1-N14-J21
Task 2127 of 4096 (2,0,0,2,0,15) R03-M1-N14-J21
Task 2128 of 4096 (2,0,0,2,1,0) R03-M1-N14-J18
Task 2129 of 4096 (2,0,0,2,1,1) R03-M1-N14-J18
Task 2130 of 4096 (2,0,0,2,1,2) R03-M1-N14-J18
Task 2131 of 4096 (2,0,0,2,1,3) R03-M1-N14-J18
Task 2132 of 4096 (2,0,0,2,1,4) R03-M1-N14-J18
Task 2133 of 4096 (2,0,0,2,1,5) R03-M1-N14-J18
Task 2134 of 4096 (2,0,0,2,1,6) R03-M1-N14-J18
Task 2135 of 4096 (2,0,0,2,1,7) R03-M1-N14-J18
Task 2136 of 4096 (2,0,0,2,1,8) R03-M1-N14-J18
Task 2137 of 4096 (2,0,0,2,1,9) R03-M1-N14-J18
Task 2138 of 4096 (2,0,0,2,1,10) R03-M1-N14-J18
Task 2139 of 4096 (2,0,0,2,1,11) R03-M1-N14-J18
Task 2140 of 4096 (2,0,0,2,1,12) R03-M1-N14-J18
Task 2141 of 4096 (2,0,0,2,1,13) R03-M1-N14-J18
Task 2142 of 4096 (2,0,0,2,1,14) R03-M1-N14-J18
Task 2143 of 4096 (2,0,0,2,1,15) R03-M1-N14-J18
Task 2144 of 4096 (2,0,0,3,0,0) R03-M1-N14-J25
Task 2145 of 4096 (2,0,0,3,0,1) R03-M1-N14-J25
Task 2146 of 4096 (2,0,0,3,0,2) R03-M1-N14-J25
Task 2147 of 4096 (2,0,0,3,0,3) R03-M1-N14-J25
Task 2148 of 4096 (2,0,0,3,0,4) R03-M1-N14-J25
Task 2149 of 4096 (2,0,0,3,0,5) R03-M1-N14-J25
Task 2150 of 4096 (2,0,0,3,0,6) R03-M1-N14-J25
Task 2151 of 4096 (2,0,0,3,0,7) R03-M1-N14-J25
Task 2152 of 4096 (2,0,0,3,0,8) R03-M1-N14-J25
Task 2153 of 4096 (2,0,0,3,0,9) R03-M1-N14-J25
Task 2154 of 4096 (2,0,0,3,0,10) R03-M1-N14-J25
Task 2155 of 4096 (2,0,0,3,0,11) R03-M1-N14-J25
Task 2156 of 4096 (2,0,0,3,0,12) R03-M1-N14-J25
Task 2157 of 4096 (2,0,0,3,0,13) R03-M1-N14-J25
Task 2158 of 4096 (2,0,0,3,0,14) R03-M1-N14-J25
Task 2159 of 4096 (2,0,0,3,0,15) R03-M1-N14-J25
Task 2160 of 4096 (2,0,0,3,1,0) R03-M1-N14-J30
Task 2161 of 4096 (2,0,0,3,1,1) R03-M1-N14-J30
Task 2162 of 4096 (2,0,0,3,1,2) R03-M1-N14-J30
Task 2163 of 4096 (2,0,0,3,1,3) R03-M1-N14-J30
Task 2164 of 4096 (2,0,0,3,1,4) R03-M1-N14-J30
Task 2165 of 4096 (2,0,0,3,1,5) R03-M1-N14-J30
Task 2166 of 4096 (2,0,0,3,1,6) R03-M1-N14-J30
Task 2167 of 4096 (2,0,0,3,1,7) R03-M1-N14-J30
Task 2168 of 4096 (2,0,0,3,1,8) R03-M1-N14-J30
Task 2169 of 4096 (2,0,0,3,1,9) R03-M1-N14-J30
Task 2170 of 4096 (2,0,0,3,1,10) R03-M1-N14-J30
Task 2171 of 4096 (2,0,0,3,1,11) R03-M1-N14-J30
Task 2172 of 4096 (2,0,0,3,1,12) R03-M1-N14-J30
Task 2173 of 4096 (2,0,0,3,1,13) R03-M1-N14-J30
Task 2174 of 4096 (2,0,0,3,1,14) R03-M1-N14-J30
Task 2175 of 4096 (2,0,0,3,1,15) R03-M1-N14-J30
Task 2176 of 4096 (2,0,1,0,0,0) R03-M1-N12-J24
Task 2177 of 4096 (2,0,1,0,0,1) R03-M1-N12-J24
Task 2178 of 4096 (2,0,1,0,0,2) R03-M1-N12-J24
Task 2179 of 4096 (2,0,1,0,0,3) R03-M1-N12-J24
Task 2180 of 4096 (2,0,1,0,0,4) R03-M1-N12-J24
Task 2181 of 4096 (2,0,1,0,0,5) R03-M1-N12-J24
Task 2182 of 4096 (2,0,1,0,0,6) R03-M1-N12-J24
Task 2183 of 4096 (2,0,1,0,0,7) R03-M1-N12-J24
Task 2184 of 4096 (2,0,1,0,0,8) R03-M1-N12-J24
Task 2185 of 4096 (2,0,1,0,0,9) R03-M1-N12-J24
Task 2186 of 4096 (2,0,1,0,0,10) R03-M1-N12-J24
Task 2187 of 4096 (2,0,1,0,0,11) R03-M1-N12-J24
Task 2188 of 4096 (2,0,1,0,0,12) R03-M1-N12-J24
Task 2189 of 4096 (2,0,1,0,0,13) R03-M1-N12-J24
Task 2190 of 4096 (2,0,1,0,0,14) R03-M1-N12-J24
Task 2191 of 4096 (2,0,1,0,0,15) R03-M1-N12-J24
Task 2192 of 4096 (2,0,1,0,1,0) R03-M1-N12-J31
Task 2193 of 4096 (2,0,1,0,1,1) R03-M1-N12-J31
Task 2194 of 4096 (2,0,1,0,1,2) R03-M1-N12-J31
Task 2195 of 4096 (2,0,1,0,1,3) R03-M1-N12-J31
Task 2196 of 4096 (2,0,1,0,1,4) R03-M1-N12-J31
Task 2197 of 4096 (2,0,1,0,1,5) R03-M1-N12-J31
Task 2198 of 4096 (2,0,1,0,1,6) R03-M1-N12-J31
Task 2199 of 4096 (2,0,1,0,1,7) R03-M1-N12-J31
Task 2200 of 4096 (2,0,1,0,1,8) R03-M1-N12-J31
Task 2201 of 4096 (2,0,1,0,1,9) R03-M1-N12-J31
Task 2202 of 4096 (2,0,1,0,1,10) R03-M1-N12-J31
Task 2203 of 4096 (2,0,1,0,1,11) R03-M1-N12-J31
Task 2204 of 4096 (2,0,1,0,1,12) R03-M1-N12-J31
Task 2205 of 4096 (2,0,1,0,1,13) R03-M1-N12-J31
Task 2206 of 4096 (2,0,1,0,1,14) R03-M1-N12-J31
Task 2207 of 4096 (2,0,1,0,1,15) R03-M1-N12-J31
Task 2208 of 4096 (2,0,1,1,0,0) R03-M1-N12-J20
Task 2209 of 4096 (2,0,1,1,0,1) R03-M1-N12-J20
Task 2210 of 4096 (2,0,1,1,0,2) R03-M1-N12-J20
Task 2211 of 4096 (2,0,1,1,0,3) R03-M1-N12-J20
Task 2212 of 4096 (2,0,1,1,0,4) R03-M1-N12-J20
Task 2213 of 4096 (2,0,1,1,0,5) R03-M1-N12-J20
Task 2214 of 4096 (2,0,1,1,0,6) R03-M1-N12-J20
Task 2215 of 4096 (2,0,1,1,0,7) R03-M1-N12-J20
Task 2216 of 4096 (2,0,1,1,0,8) R03-M1-N12-J20
Task 2217 of 4096 (2,0,1,1,0,9) R03-M1-N12-J20
Task 2218 of 4096 (2,0,1,1,0,10) R03-M1-N12-J20
Task 2219 of 4096 (2,0,1,1,0,11) R03-M1-N12-J20
Task 2220 of 4096 (2,0,1,1,0,12) R03-M1-N12-J20
Task 2221 of 4096 (2,0,1,1,0,13) R03-M1-N12-J20
Task 2222 of 4096 (2,0,1,1,0,14) R03-M1-N12-J20
Task 2223 of 4096 (2,0,1,1,0,15) R03-M1-N12-J20
Task 2224 of 4096 (2,0,1,1,1,0) R03-M1-N12-J19
Task 2225 of 4096 (2,0,1,1,1,1) R03-M1-N12-J19
Task 2226 of 4096 (2,0,1,1,1,2) R03-M1-N12-J19
Task 2227 of 4096 (2,0,1,1,1,3) R03-M1-N12-J19
Task 2228 of 4096 (2,0,1,1,1,4) R03-M1-N12-J19
Task 2229 of 4096 (2,0,1,1,1,5) R03-M1-N12-J19
Task 2230 of 4096 (2,0,1,1,1,6) R03-M1-N12-J19
Task 2231 of 4096 (2,0,1,1,1,7) R03-M1-N12-J19
Task 2232 of 4096 (2,0,1,1,1,8) R03-M1-N12-J19
Task 2233 of 4096 (2,0,1,1,1,9) R03-M1-N12-J19
Task 2234 of 4096 (2,0,1,1,1,10) R03-M1-N12-J19
Task 2235 of 4096 (2,0,1,1,1,11) R03-M1-N12-J19
Task 2236 of 4096 (2,0,1,1,1,12) R03-M1-N12-J19
Task 2237 of 4096 (2,0,1,1,1,13) R03-M1-N12-J19
Task 2238 of 4096 (2,0,1,1,1,14) R03-M1-N12-J19
Task 2239 of 4096 (2,0,1,1,1,15) R03-M1-N12-J19
Task 2240 of 4096 (2,0,1,2,0,0) R03-M1-N14-J20
Task 2241 of 4096 (2,0,1,2,0,1) R03-M1-N14-J20
Task 2242 of 4096 (2,0,1,2,0,2) R03-M1-N14-J20
Task 2243 of 4096 (2,0,1,2,0,3) R03-M1-N14-J20
Task 2244 of 4096 (2,0,1,2,0,4) R03-M1-N14-J20
Task 2245 of 4096 (2,0,1,2,0,5) R03-M1-N14-J20
Task 2246 of 4096 (2,0,1,2,0,6) R03-M1-N14-J20
Task 2247 of 4096 (2,0,1,2,0,7) R03-M1-N14-J20
Task 2248 of 4096 (2,0,1,2,0,8) R03-M1-N14-J20
Task 2249 of 4096 (2,0,1,2,0,9) R03-M1-N14-J20
Task 2250 of 4096 (2,0,1,2,0,10) R03-M1-N14-J20
Task 2251 of 4096 (2,0,1,2,0,11) R03-M1-N14-J20
Task 2252 of 4096 (2,0,1,2,0,12) R03-M1-N14-J20
Task 2253 of 4096 (2,0,1,2,0,13) R03-M1-N14-J20
Task 2254 of 4096 (2,0,1,2,0,14) R03-M1-N14-J20
Task 2255 of 4096 (2,0,1,2,0,15) R03-M1-N14-J20
Task 2256 of 4096 (2,0,1,2,1,0) R03-M1-N14-J19
Task 2257 of 4096 (2,0,1,2,1,1) R03-M1-N14-J19
Task 2258 of 4096 (2,0,1,2,1,2) R03-M1-N14-J19
Task 2259 of 4096 (2,0,1,2,1,3) R03-M1-N14-J19
Task 2260 of 4096 (2,0,1,2,1,4) R03-M1-N14-J19
Task 2261 of 4096 (2,0,1,2,1,5) R03-M1-N14-J19
Task 2262 of 4096 (2,0,1,2,1,6) R03-M1-N14-J19
Task 2263 of 4096 (2,0,1,2,1,7) R03-M1-N14-J19
Task 2264 of 4096 (2,0,1,2,1,8) R03-M1-N14-J19
Task 2265 of 4096 (2,0,1,2,1,9) R03-M1-N14-J19
Task 2266 of 4096 (2,0,1,2,1,10) R03-M1-N14-J19
Task 2267 of 4096 (2,0,1,2,1,11) R03-M1-N14-J19
Task 2268 of 4096 (2,0,1,2,1,12) R03-M1-N14-J19
Task 2269 of 4096 (2,0,1,2,1,13) R03-M1-N14-J19
Task 2270 of 4096 (2,0,1,2,1,14) R03-M1-N14-J19
Task 2271 of 4096 (2,0,1,2,1,15) R03-M1-N14-J19
Task 2272 of 4096 (2,0,1,3,0,0) R03-M1-N14-J24
Task 2273 of 4096 (2,0,1,3,0,1) R03-M1-N14-J24
Task 2274 of 4096 (2,0,1,3,0,2) R03-M1-N14-J24
Task 2275 of 4096 (2,0,1,3,0,3) R03-M1-N14-J24
Task 2276 of 4096 (2,0,1,3,0,4) R03-M1-N14-J24
Task 2277 of 4096 (2,0,1,3,0,5) R03-M1-N14-J24
Task 2278 of 4096 (2,0,1,3,0,6) R03-M1-N14-J24
Task 2279 of 4096 (2,0,1,3,0,7) R03-M1-N14-J24
Task 2280 of 4096 (2,0,1,3,0,8) R03-M1-N14-J24
Task 2281 of 4096 (2,0,1,3,0,9) R03-M1-N14-J24
Task 2282 of 4096 (2,0,1,3,0,10) R03-M1-N14-J24
Task 2283 of 4096 (2,0,1,3,0,11) R03-M1-N14-J24
Task 2284 of 4096 (2,0,1,3,0,12) R03-M1-N14-J24
Task 2285 of 4096 (2,0,1,3,0,13) R03-M1-N14-J24
Task 2286 of 4096 (2,0,1,3,0,14) R03-M1-N14-J24
Task 2287 of 4096 (2,0,1,3,0,15) R03-M1-N14-J24
Task 2288 of 4096 (2,0,1,3,1,0) R03-M1-N14-J31
Task 2289 of 4096 (2,0,1,3,1,1) R03-M1-N14-J31
Task 2290 of 4096 (2,0,1,3,1,2) R03-M1-N14-J31
Task 2291 of 4096 (2,0,1,3,1,3) R03-M1-N14-J31
Task 2292 of 4096 (2,0,1,3,1,4) R03-M1-N14-J31
Task 2293 of 4096 (2,0,1,3,1,5) R03-M1-N14-J31
Task 2294 of 4096 (2,0,1,3,1,6) R03-M1-N14-J31
Task 2295 of 4096 (2,0,1,3,1,7) R03-M1-N14-J31
Task 2296 of 4096 (2,0,1,3,1,8) R03-M1-N14-J31
Task 2297 of 4096 (2,0,1,3,1,9) R03-M1-N14-J31
Task 2298 of 4096 (2,0,1,3,1,10) R03-M1-N14-J31
Task 2299 of 4096 (2,0,1,3,1,11) R03-M1-N14-J31
Task 2300 of 4096 (2,0,1,3,1,12) R03-M1-N14-J31
Task 2301 of 4096 (2,0,1,3,1,13) R03-M1-N14-J31
Task 2302 of 4096 (2,0,1,3,1,14) R03-M1-N14-J31
Task 2303 of 4096 (2,0,1,3,1,15) R03-M1-N14-J31
Task 2304 of 4096 (2,0,2,0,0,0) R03-M1-N13-J24
Task 2305 of 4096 (2,0,2,0,0,1) R03-M1-N13-J24
Task 2306 of 4096 (2,0,2,0,0,2) R03-M1-N13-J24
Task 2307 of 4096 (2,0,2,0,0,3) R03-M1-N13-J24
Task 2308 of 4096 (2,0,2,0,0,4) R03-M1-N13-J24
Task 2309 of 4096 (2,0,2,0,0,5) R03-M1-N13-J24
Task 2310 of 4096 (2,0,2,0,0,6) R03-M1-N13-J24
Task 2311 of 4096 (2,0,2,0,0,7) R03-M1-N13-J24
Task 2312 of 4096 (2,0,2,0,0,8) R03-M1-N13-J24
Task 2313 of 4096 (2,0,2,0,0,9) R03-M1-N13-J24
Task 2314 of 4096 (2,0,2,0,0,10) R03-M1-N13-J24
Task 2315 of 4096 (2,0,2,0,0,11) R03-M1-N13-J24
Task 2316 of 4096 (2,0,2,0,0,12) R03-M1-N13-J24
Task 2317 of 4096 (2,0,2,0,0,13) R03-M1-N13-J24
Task 2318 of 4096 (2,0,2,0,0,14) R03-M1-N13-J24
Task 2319 of 4096 (2,0,2,0,0,15) R03-M1-N13-J24
Task 2320 of 4096 (2,0,2,0,1,0) R03-M1-N13-J31
Task 2321 of 4096 (2,0,2,0,1,1) R03-M1-N13-J31
Task 2322 of 4096 (2,0,2,0,1,2) R03-M1-N13-J31
Task 2323 of 4096 (2,0,2,0,1,3) R03-M1-N13-J31
Task 2324 of 4096 (2,0,2,0,1,4) R03-M1-N13-J31
Task 2325 of 4096 (2,0,2,0,1,5) R03-M1-N13-J31
Task 2326 of 4096 (2,0,2,0,1,6) R03-M1-N13-J31
Task 2327 of 4096 (2,0,2,0,1,7) R03-M1-N13-J31
Task 2328 of 4096 (2,0,2,0,1,8) R03-M1-N13-J31
Task 2329 of 4096 (2,0,2,0,1,9) R03-M1-N13-J31
Task 2330 of 4096 (2,0,2,0,1,10) R03-M1-N13-J31
Task 2331 of 4096 (2,0,2,0,1,11) R03-M1-N13-J31
Task 2332 of 4096 (2,0,2,0,1,12) R03-M1-N13-J31
Task 2333 of 4096 (2,0,2,0,1,13) R03-M1-N13-J31
Task 2334 of 4096 (2,0,2,0,1,14) R03-M1-N13-J31
Task 2335 of 4096 (2,0,2,0,1,15) R03-M1-N13-J31
Task 2336 of 4096 (2,0,2,1,0,0) R03-M1-N13-J20
Task 2337 of 4096 (2,0,2,1,0,1) R03-M1-N13-J20
Task 2338 of 4096 (2,0,2,1,0,2) R03-M1-N13-J20
Task 2339 of 4096 (2,0,2,1,0,3) R03-M1-N13-J20
Task 2340 of 4096 (2,0,2,1,0,4) R03-M1-N13-J20
Task 2341 of 4096 (2,0,2,1,0,5) R03-M1-N13-J20
Task 2342 of 4096 (2,0,2,1,0,6) R03-M1-N13-J20
Task 2343 of 4096 (2,0,2,1,0,7) R03-M1-N13-J20
Task 2344 of 4096 (2,0,2,1,0,8) R03-M1-N13-J20
Task 2345 of 4096 (2,0,2,1,0,9) R03-M1-N13-J20
Task 2346 of 4096 (2,0,2,1,0,10) R03-M1-N13-J20
Task 2347 of 4096 (2,0,2,1,0,11) R03-M1-N13-J20
Task 2348 of 4096 (2,0,2,1,0,12) R03-M1-N13-J20
Task 2349 of 4096 (2,0,2,1,0,13) R03-M1-N13-J20
Task 2350 of 4096 (2,0,2,1,0,14) R03-M1-N13-J20
Task 2351 of 4096 (2,0,2,1,0,15) R03-M1-N13-J20
Task 2352 of 4096 (2,0,2,1,1,0) R03-M1-N13-J19
Task 2353 of 4096 (2,0,2,1,1,1) R03-M1-N13-J19
Task 2354 of 4096 (2,0,2,1,1,2) R03-M1-N13-J19
Task 2355 of 4096 (2,0,2,1,1,3) R03-M1-N13-J19
Task 2356 of 4096 (2,0,2,1,1,4) R03-M1-N13-J19
Task 2357 of 4096 (2,0,2,1,1,5) R03-M1-N13-J19
Task 2358 of 4096 (2,0,2,1,1,6) R03-M1-N13-J19
Task 2359 of 4096 (2,0,2,1,1,7) R03-M1-N13-J19
Task 2360 of 4096 (2,0,2,1,1,8) R03-M1-N13-J19
Task 2361 of 4096 (2,0,2,1,1,9) R03-M1-N13-J19
Task 2362 of 4096 (2,0,2,1,1,10) R03-M1-N13-J19
Task 2363 of 4096 (2,0,2,1,1,11) R03-M1-N13-J19
Task 2364 of 4096 (2,0,2,1,1,12) R03-M1-N13-J19
Task 2365 of 4096 (2,0,2,1,1,13) R03-M1-N13-J19
Task 2366 of 4096 (2,0,2,1,1,14) R03-M1-N13-J19
Task 2367 of 4096 (2,0,2,1,1,15) R03-M1-N13-J19
Task 2368 of 4096 (2,0,2,2,0,0) R03-M1-N15-J20
Task 2369 of 4096 (2,0,2,2,0,1) R03-M1-N15-J20
Task 2370 of 4096 (2,0,2,2,0,2) R03-M1-N15-J20
Task 2371 of 4096 (2,0,2,2,0,3) R03-M1-N15-J20
Task 2372 of 4096 (2,0,2,2,0,4) R03-M1-N15-J20
Task 2373 of 4096 (2,0,2,2,0,5) R03-M1-N15-J20
Task 2374 of 4096 (2,0,2,2,0,6) R03-M1-N15-J20
Task 2375 of 4096 (2,0,2,2,0,7) R03-M1-N15-J20
Task 2376 of 4096 (2,0,2,2,0,8) R03-M1-N15-J20
Task 2377 of 4096 (2,0,2,2,0,9) R03-M1-N15-J20
Task 2378 of 4096 (2,0,2,2,0,10) R03-M1-N15-J20
Task 2379 of 4096 (2,0,2,2,0,11) R03-M1-N15-J20
Task 2380 of 4096 (2,0,2,2,0,12) R03-M1-N15-J20
Task 2381 of 4096 (2,0,2,2,0,13) R03-M1-N15-J20
Task 2382 of 4096 (2,0,2,2,0,14) R03-M1-N15-J20
Task 2383 of 4096 (2,0,2,2,0,15) R03-M1-N15-J20
Task 2384 of 4096 (2,0,2,2,1,0) R03-M1-N15-J19
Task 2385 of 4096 (2,0,2,2,1,1) R03-M1-N15-J19
Task 2386 of 4096 (2,0,2,2,1,2) R03-M1-N15-J19
Task 2387 of 4096 (2,0,2,2,1,3) R03-M1-N15-J19
Task 2388 of 4096 (2,0,2,2,1,4) R03-M1-N15-J19
Task 2389 of 4096 (2,0,2,2,1,5) R03-M1-N15-J19
Task 2390 of 4096 (2,0,2,2,1,6) R03-M1-N15-J19
Task 2391 of 4096 (2,0,2,2,1,7) R03-M1-N15-J19
Task 2392 of 4096 (2,0,2,2,1,8) R03-M1-N15-J19
Task 2393 of 4096 (2,0,2,2,1,9) R03-M1-N15-J19
Task 2394 of 4096 (2,0,2,2,1,10) R03-M1-N15-J19
Task 2395 of 4096 (2,0,2,2,1,11) R03-M1-N15-J19
Task 2396 of 4096 (2,0,2,2,1,12) R03-M1-N15-J19
Task 2397 of 4096 (2,0,2,2,1,13) R03-M1-N15-J19
Task 2398 of 4096 (2,0,2,2,1,14) R03-M1-N15-J19
Task 2399 of 4096 (2,0,2,2,1,15) R03-M1-N15-J19
Task 2400 of 4096 (2,0,2,3,0,0) R03-M1-N15-J24
Task 2401 of 4096 (2,0,2,3,0,1) R03-M1-N15-J24
Task 2402 of 4096 (2,0,2,3,0,2) R03-M1-N15-J24
Task 2403 of 4096 (2,0,2,3,0,3) R03-M1-N15-J24
Task 2404 of 4096 (2,0,2,3,0,4) R03-M1-N15-J24
Task 2405 of 4096 (2,0,2,3,0,5) R03-M1-N15-J24
Task 2406 of 4096 (2,0,2,3,0,6) R03-M1-N15-J24
Task 2407 of 4096 (2,0,2,3,0,7) R03-M1-N15-J24
Task 2408 of 4096 (2,0,2,3,0,8) R03-M1-N15-J24
Task 2409 of 4096 (2,0,2,3,0,9) R03-M1-N15-J24
Task 2410 of 4096 (2,0,2,3,0,10) R03-M1-N15-J24
Task 2411 of 4096 (2,0,2,3,0,11) R03-M1-N15-J24
Task 2412 of 4096 (2,0,2,3,0,12) R03-M1-N15-J24
Task 2413 of 4096 (2,0,2,3,0,13) R03-M1-N15-J24
Task 2414 of 4096 (2,0,2,3,0,14) R03-M1-N15-J24
Task 2415 of 4096 (2,0,2,3,0,15) R03-M1-N15-J24
Task 2416 of 4096 (2,0,2,3,1,0) R03-M1-N15-J31
Task 2417 of 4096 (2,0,2,3,1,1) R03-M1-N15-J31
Task 2418 of 4096 (2,0,2,3,1,2) R03-M1-N15-J31
Task 2419 of 4096 (2,0,2,3,1,3) R03-M1-N15-J31
Task 2420 of 4096 (2,0,2,3,1,4) R03-M1-N15-J31
Task 2421 of 4096 (2,0,2,3,1,5) R03-M1-N15-J31
Task 2422 of 4096 (2,0,2,3,1,6) R03-M1-N15-J31
Task 2423 of 4096 (2,0,2,3,1,7) R03-M1-N15-J31
Task 2424 of 4096 (2,0,2,3,1,8) R03-M1-N15-J31
Task 2425 of 4096 (2,0,2,3,1,9) R03-M1-N15-J31
Task 2426 of 4096 (2,0,2,3,1,10) R03-M1-N15-J31
Task 2427 of 4096 (2,0,2,3,1,11) R03-M1-N15-J31
Task 2428 of 4096 (2,0,2,3,1,12) R03-M1-N15-J31
Task 2429 of 4096 (2,0,2,3,1,13) R03-M1-N15-J31
Task 2430 of 4096 (2,0,2,3,1,14) R03-M1-N15-J31
Task 2431 of 4096 (2,0,2,3,1,15) R03-M1-N15-J31
Task 2432 of 4096 (2,0,3,0,0,0) R03-M1-N13-J25
Task 2433 of 4096 (2,0,3,0,0,1) R03-M1-N13-J25
Task 2434 of 4096 (2,0,3,0,0,2) R03-M1-N13-J25
Task 2435 of 4096 (2,0,3,0,0,3) R03-M1-N13-J25
Task 2436 of 4096 (2,0,3,0,0,4) R03-M1-N13-J25
Task 2437 of 4096 (2,0,3,0,0,5) R03-M1-N13-J25
Task 2438 of 4096 (2,0,3,0,0,6) R03-M1-N13-J25
Task 2439 of 4096 (2,0,3,0,0,7) R03-M1-N13-J25
Task 2440 of 4096 (2,0,3,0,0,8) R03-M1-N13-J25
Task 2441 of 4096 (2,0,3,0,0,9) R03-M1-N13-J25
Task 2442 of 4096 (2,0,3,0,0,10) R03-M1-N13-J25
Task 2443 of 4096 (2,0,3,0,0,11) R03-M1-N13-J25
Task 2444 of 4096 (2,0,3,0,0,12) R03-M1-N13-J25
Task 2445 of 4096 (2,0,3,0,0,13) R03-M1-N13-J25
Task 2446 of 4096 (2,0,3,0,0,14) R03-M1-N13-J25
Task 2447 of 4096 (2,0,3,0,0,15) R03-M1-N13-J25
Task 2448 of 4096 (2,0,3,0,1,0) R03-M1-N13-J30
Task 2449 of 4096 (2,0,3,0,1,1) R03-M1-N13-J30
Task 2450 of 4096 (2,0,3,0,1,2) R03-M1-N13-J30
Task 2451 of 4096 (2,0,3,0,1,3) R03-M1-N13-J30
Task 2452 of 4096 (2,0,3,0,1,4) R03-M1-N13-J30
Task 2453 of 4096 (2,0,3,0,1,5) R03-M1-N13-J30
Task 2454 of 4096 (2,0,3,0,1,6) R03-M1-N13-J30
Task 2455 of 4096 (2,0,3,0,1,7) R03-M1-N13-J30
Task 2456 of 4096 (2,0,3,0,1,8) R03-M1-N13-J30
Task 2457 of 4096 (2,0,3,0,1,9) R03-M1-N13-J30
Task 2458 of 4096 (2,0,3,0,1,10) R03-M1-N13-J30
Task 2459 of 4096 (2,0,3,0,1,11) R03-M1-N13-J30
Task 2460 of 4096 (2,0,3,0,1,12) R03-M1-N13-J30
Task 2461 of 4096 (2,0,3,0,1,13) R03-M1-N13-J30
Task 2462 of 4096 (2,0,3,0,1,14) R03-M1-N13-J30
Task 2463 of 4096 (2,0,3,0,1,15) R03-M1-N13-J30
Task 2464 of 4096 (2,0,3,1,0,0) R03-M1-N13-J21
Task 2465 of 4096 (2,0,3,1,0,1) R03-M1-N13-J21
Task 2466 of 4096 (2,0,3,1,0,2) R03-M1-N13-J21
Task 2467 of 4096 (2,0,3,1,0,3) R03-M1-N13-J21
Task 2468 of 4096 (2,0,3,1,0,4) R03-M1-N13-J21
Task 2469 of 4096 (2,0,3,1,0,5) R03-M1-N13-J21
Task 2470 of 4096 (2,0,3,1,0,6) R03-M1-N13-J21
Task 2471 of 4096 (2,0,3,1,0,7) R03-M1-N13-J21
Task 2472 of 4096 (2,0,3,1,0,8) R03-M1-N13-J21
Task 2473 of 4096 (2,0,3,1,0,9) R03-M1-N13-J21
Task 2474 of 4096 (2,0,3,1,0,10) R03-M1-N13-J21
Task 2475 of 4096 (2,0,3,1,0,11) R03-M1-N13-J21
Task 2476 of 4096 (2,0,3,1,0,12) R03-M1-N13-J21
Task 2477 of 4096 (2,0,3,1,0,13) R03-M1-N13-J21
Task 2478 of 4096 (2,0,3,1,0,14) R03-M1-N13-J21
Task 2479 of 4096 (2,0,3,1,0,15) R03-M1-N13-J21
Task 2480 of 4096 (2,0,3,1,1,0) R03-M1-N13-J18
Task 2481 of 4096 (2,0,3,1,1,1) R03-M1-N13-J18
Task 2482 of 4096 (2,0,3,1,1,2) R03-M1-N13-J18
Task 2483 of 4096 (2,0,3,1,1,3) R03-M1-N13-J18
Task 2484 of 4096 (2,0,3,1,1,4) R03-M1-N13-J18
Task 2485 of 4096 (2,0,3,1,1,5) R03-M1-N13-J18
Task 2486 of 4096 (2,0,3,1,1,6) R03-M1-N13-J18
Task 2487 of 4096 (2,0,3,1,1,7) R03-M1-N13-J18
Task 2488 of 4096 (2,0,3,1,1,8) R03-M1-N13-J18
Task 2489 of 4096 (2,0,3,1,1,9) R03-M1-N13-J18
Task 2490 of 4096 (2,0,3,1,1,10) R03-M1-N13-J18
Task 2491 of 4096 (2,0,3,1,1,11) R03-M1-N13-J18
Task 2492 of 4096 (2,0,3,1,1,12) R03-M1-N13-J18
Task 2493 of 4096 (2,0,3,1,1,13) R03-M1-N13-J18
Task 2494 of 4096 (2,0,3,1,1,14) R03-M1-N13-J18
Task 2495 of 4096 (2,0,3,1,1,15) R03-M1-N13-J18
Task 2496 of 4096 (2,0,3,2,0,0) R03-M1-N15-J21
Task 2497 of 4096 (2,0,3,2,0,1) R03-M1-N15-J21
Task 2498 of 4096 (2,0,3,2,0,2) R03-M1-N15-J21
Task 2499 of 4096 (2,0,3,2,0,3) R03-M1-N15-J21
Task 2500 of 4096 (2,0,3,2,0,4) R03-M1-N15-J21
Task 2501 of 4096 (2,0,3,2,0,5) R03-M1-N15-J21
Task 2502 of 4096 (2,0,3,2,0,6) R03-M1-N15-J21
Task 2503 of 4096 (2,0,3,2,0,7) R03-M1-N15-J21
Task 2504 of 4096 (2,0,3,2,0,8) R03-M1-N15-J21
Task 2505 of 4096 (2,0,3,2,0,9) R03-M1-N15-J21
Task 2506 of 4096 (2,0,3,2,0,10) R03-M1-N15-J21
Task 2507 of 4096 (2,0,3,2,0,11) R03-M1-N15-J21
Task 2508 of 4096 (2,0,3,2,0,12) R03-M1-N15-J21
Task 2509 of 4096 (2,0,3,2,0,13) R03-M1-N15-J21
Task 2510 of 4096 (2,0,3,2,0,14) R03-M1-N15-J21
Task 2511 of 4096 (2,0,3,2,0,15) R03-M1-N15-J21
Task 2512 of 4096 (2,0,3,2,1,0) R03-M1-N15-J18
Task 2513 of 4096 (2,0,3,2,1,1) R03-M1-N15-J18
Task 2514 of 4096 (2,0,3,2,1,2) R03-M1-N15-J18
Task 2515 of 4096 (2,0,3,2,1,3) R03-M1-N15-J18
Task 2516 of 4096 (2,0,3,2,1,4) R03-M1-N15-J18
Task 2517 of 4096 (2,0,3,2,1,5) R03-M1-N15-J18
Task 2518 of 4096 (2,0,3,2,1,6) R03-M1-N15-J18
Task 2519 of 4096 (2,0,3,2,1,7) R03-M1-N15-J18
Task 2520 of 4096 (2,0,3,2,1,8) R03-M1-N15-J18
Task 2521 of 4096 (2,0,3,2,1,9) R03-M1-N15-J18
Task 2522 of 4096 (2,0,3,2,1,10) R03-M1-N15-J18
Task 2523 of 4096 (2,0,3,2,1,11) R03-M1-N15-J18
Task 2524 of 4096 (2,0,3,2,1,12) R03-M1-N15-J18
Task 2525 of 4096 (2,0,3,2,1,13) R03-M1-N15-J18
Task 2526 of 4096 (2,0,3,2,1,14) R03-M1-N15-J18
Task 2527 of 4096 (2,0,3,2,1,15) R03-M1-N15-J18
Task 2528 of 4096 (2,0,3,3,0,0) R03-M1-N15-J25
Task 2529 of 4096 (2,0,3,3,0,1) R03-M1-N15-J25
Task 2530 of 4096 (2,0,3,3,0,2) R03-M1-N15-J25
Task 2531 of 4096 (2,0,3,3,0,3) R03-M1-N15-J25
Task 2532 of 4096 (2,0,3,3,0,4) R03-M1-N15-J25
Task 2533 of 4096 (2,0,3,3,0,5) R03-M1-N15-J25
Task 2534 of 4096 (2,0,3,3,0,6) R03-M1-N15-J25
Task 2535 of 4096 (2,0,3,3,0,7) R03-M1-N15-J25
Task 2536 of 4096 (2,0,3,3,0,8) R03-M1-N15-J25
Task 2537 of 4096 (2,0,3,3,0,9) R03-M1-N15-J25
Task 2538 of 4096 (2,0,3,3,0,10) R03-M1-N15-J25
Task 2539 of 4096 (2,0,3,3,0,11) R03-M1-N15-J25
Task 2540 of 4096 (2,0,3,3,0,12) R03-M1-N15-J25
Task 2541 of 4096 (2,0,3,3,0,13) R03-M1-N15-J25
Task 2542 of 4096 (2,0,3,3,0,14) R03-M1-N15-J25
Task 2543 of 4096 (2,0,3,3,0,15) R03-M1-N15-J25
Task 2544 of 4096 (2,0,3,3,1,0) R03-M1-N15-J30
Task 2545 of 4096 (2,0,3,3,1,1) R03-M1-N15-J30
Task 2546 of 4096 (2,0,3,3,1,2) R03-M1-N15-J30
Task 2547 of 4096 (2,0,3,3,1,3) R03-M1-N15-J30
Task 2548 of 4096 (2,0,3,3,1,4) R03-M1-N15-J30
Task 2549 of 4096 (2,0,3,3,1,5) R03-M1-N15-J30
Task 2550 of 4096 (2,0,3,3,1,6) R03-M1-N15-J30
Task 2551 of 4096 (2,0,3,3,1,7) R03-M1-N15-J30
Task 2552 of 4096 (2,0,3,3,1,8) R03-M1-N15-J30
Task 2553 of 4096 (2,0,3,3,1,9) R03-M1-N15-J30
Task 2554 of 4096 (2,0,3,3,1,10) R03-M1-N15-J30
Task 2555 of 4096 (2,0,3,3,1,11) R03-M1-N15-J30
Task 2556 of 4096 (2,0,3,3,1,12) R03-M1-N15-J30
Task 2557 of 4096 (2,0,3,3,1,13) R03-M1-N15-J30
Task 2558 of 4096 (2,0,3,3,1,14) R03-M1-N15-J30
Task 2559 of 4096 (2,0,3,3,1,15) R03-M1-N15-J30
Task 2560 of 4096 (2,1,0,0,0,0) R03-M1-N12-J26
Task 2561 of 4096 (2,1,0,0,0,1) R03-M1-N12-J26
Task 2562 of 4096 (2,1,0,0,0,2) R03-M1-N12-J26
Task 2563 of 4096 (2,1,0,0,0,3) R03-M1-N12-J26
Task 2564 of 4096 (2,1,0,0,0,4) R03-M1-N12-J26
Task 2565 of 4096 (2,1,0,0,0,5) R03-M1-N12-J26
Task 2566 of 4096 (2,1,0,0,0,6) R03-M1-N12-J26
Task 2567 of 4096 (2,1,0,0,0,7) R03-M1-N12-J26
Task 2568 of 4096 (2,1,0,0,0,8) R03-M1-N12-J26
Task 2569 of 4096 (2,1,0,0,0,9) R03-M1-N12-J26
Task 2570 of 4096 (2,1,0,0,0,10) R03-M1-N12-J26
Task 2571 of 4096 (2,1,0,0,0,11) R03-M1-N12-J26
Task 2572 of 4096 (2,1,0,0,0,12) R03-M1-N12-J26
Task 2573 of 4096 (2,1,0,0,0,13) R03-M1-N12-J26
Task 2574 of 4096 (2,1,0,0,0,14) R03-M1-N12-J26
Task 2575 of 4096 (2,1,0,0,0,15) R03-M1-N12-J26
Task 2576 of 4096 (2,1,0,0,1,0) R03-M1-N12-J29
Task 2577 of 4096 (2,1,0,0,1,1) R03-M1-N12-J29
Task 2578 of 4096 (2,1,0,0,1,2) R03-M1-N12-J29
Task 2579 of 4096 (2,1,0,0,1,3) R03-M1-N12-J29
Task 2580 of 4096 (2,1,0,0,1,4) R03-M1-N12-J29
Task 2581 of 4096 (2,1,0,0,1,5) R03-M1-N12-J29
Task 2582 of 4096 (2,1,0,0,1,6) R03-M1-N12-J29
Task 2583 of 4096 (2,1,0,0,1,7) R03-M1-N12-J29
Task 2584 of 4096 (2,1,0,0,1,8) R03-M1-N12-J29
Task 2585 of 4096 (2,1,0,0,1,9) R03-M1-N12-J29
Task 2586 of 4096 (2,1,0,0,1,10) R03-M1-N12-J29
Task 2587 of 4096 (2,1,0,0,1,11) R03-M1-N12-J29
Task 2588 of 4096 (2,1,0,0,1,12) R03-M1-N12-J29
Task 2589 of 4096 (2,1,0,0,1,13) R03-M1-N12-J29
Task 2590 of 4096 (2,1,0,0,1,14) R03-M1-N12-J29
Task 2591 of 4096 (2,1,0,0,1,15) R03-M1-N12-J29
Task 2592 of 4096 (2,1,0,1,0,0) R03-M1-N12-J22
Task 2593 of 4096 (2,1,0,1,0,1) R03-M1-N12-J22
Task 2594 of 4096 (2,1,0,1,0,2) R03-M1-N12-J22
Task 2595 of 4096 (2,1,0,1,0,3) R03-M1-N12-J22
Task 2596 of 4096 (2,1,0,1,0,4) R03-M1-N12-J22
Task 2597 of 4096 (2,1,0,1,0,5) R03-M1-N12-J22
Task 2598 of 4096 (2,1,0,1,0,6) R03-M1-N12-J22
Task 2599 of 4096 (2,1,0,1,0,7) R03-M1-N12-J22
Task 2600 of 4096 (2,1,0,1,0,8) R03-M1-N12-J22
Task 2601 of 4096 (2,1,0,1,0,9) R03-M1-N12-J22
Task 2602 of 4096 (2,1,0,1,0,10) R03-M1-N12-J22
Task 2603 of 4096 (2,1,0,1,0,11) R03-M1-N12-J22
Task 2604 of 4096 (2,1,0,1,0,12) R03-M1-N12-J22
Task 2605 of 4096 (2,1,0,1,0,13) R03-M1-N12-J22
Task 2606 of 4096 (2,1,0,1,0,14) R03-M1-N12-J22
Task 2607 of 4096 (2,1,0,1,0,15) R03-M1-N12-J22
Task 2608 of 4096 (2,1,0,1,1,0) R03-M1-N12-J17
Task 2609 of 4096 (2,1,0,1,1,1) R03-M1-N12-J17
Task 2610 of 4096 (2,1,0,1,1,2) R03-M1-N12-J17
Task 2611 of 4096 (2,1,0,1,1,3) R03-M1-N12-J17
Task 2612 of 4096 (2,1,0,1,1,4) R03-M1-N12-J17
Task 2613 of 4096 (2,1,0,1,1,5) R03-M1-N12-J17
Task 2614 of 4096 (2,1,0,1,1,6) R03-M1-N12-J17
Task 2615 of 4096 (2,1,0,1,1,7) R03-M1-N12-J17
Task 2616 of 4096 (2,1,0,1,1,8) R03-M1-N12-J17
Task 2617 of 4096 (2,1,0,1,1,9) R03-M1-N12-J17
Task 2618 of 4096 (2,1,0,1,1,10) R03-M1-N12-J17
Task 2619 of 4096 (2,1,0,1,1,11) R03-M1-N12-J17
Task 2620 of 4096 (2,1,0,1,1,12) R03-M1-N12-J17
Task 2621 of 4096 (2,1,0,1,1,13) R03-M1-N12-J17
Task 2622 of 4096 (2,1,0,1,1,14) R03-M1-N12-J17
Task 2623 of 4096 (2,1,0,1,1,15) R03-M1-N12-J17
Task 2624 of 4096 (2,1,0,2,0,0) R03-M1-N14-J22
Task 2625 of 4096 (2,1,0,2,0,1) R03-M1-N14-J22
Task 2626 of 4096 (2,1,0,2,0,2) R03-M1-N14-J22
Task 2627 of 4096 (2,1,0,2,0,3) R03-M1-N14-J22
Task 2628 of 4096 (2,1,0,2,0,4) R03-M1-N14-J22
Task 2629 of 4096 (2,1,0,2,0,5) R03-M1-N14-J22
Task 2630 of 4096 (2,1,0,2,0,6) R03-M1-N14-J22
Task 2631 of 4096 (2,1,0,2,0,7) R03-M1-N14-J22
Task 2632 of 4096 (2,1,0,2,0,8) R03-M1-N14-J22
Task 2633 of 4096 (2,1,0,2,0,9) R03-M1-N14-J22
Task 2634 of 4096 (2,1,0,2,0,10) R03-M1-N14-J22
Task 2635 of 4096 (2,1,0,2,0,11) R03-M1-N14-J22
Task 2636 of 4096 (2,1,0,2,0,12) R03-M1-N14-J22
Task 2637 of 4096 (2,1,0,2,0,13) R03-M1-N14-J22
Task 2638 of 4096 (2,1,0,2,0,14) R03-M1-N14-J22
Task 2639 of 4096 (2,1,0,2,0,15) R03-M1-N14-J22
Task 2640 of 4096 (2,1,0,2,1,0) R03-M1-N14-J17
Task 2641 of 4096 (2,1,0,2,1,1) R03-M1-N14-J17
Task 2642 of 4096 (2,1,0,2,1,2) R03-M1-N14-J17
Task 2643 of 4096 (2,1,0,2,1,3) R03-M1-N14-J17
Task 2644 of 4096 (2,1,0,2,1,4) R03-M1-N14-J17
Task 2645 of 4096 (2,1,0,2,1,5) R03-M1-N14-J17
Task 2646 of 4096 (2,1,0,2,1,6) R03-M1-N14-J17
Task 2647 of 4096 (2,1,0,2,1,7) R03-M1-N14-J17
Task 2648 of 4096 (2,1,0,2,1,8) R03-M1-N14-J17
Task 2649 of 4096 (2,1,0,2,1,9) R03-M1-N14-J17
Task 2650 of 4096 (2,1,0,2,1,10) R03-M1-N14-J17
Task 2651 of 4096 (2,1,0,2,1,11) R03-M1-N14-J17
Task 2652 of 4096 (2,1,0,2,1,12) R03-M1-N14-J17
Task 2653 of 4096 (2,1,0,2,1,13) R03-M1-N14-J17
Task 2654 of 4096 (2,1,0,2,1,14) R03-M1-N14-J17
Task 2655 of 4096 (2,1,0,2,1,15) R03-M1-N14-J17
Task 2656 of 4096 (2,1,0,3,0,0) R03-M1-N14-J26
Task 2657 of 4096 (2,1,0,3,0,1) R03-M1-N14-J26
Task 2658 of 4096 (2,1,0,3,0,2) R03-M1-N14-J26
Task 2659 of 4096 (2,1,0,3,0,3) R03-M1-N14-J26
Task 2660 of 4096 (2,1,0,3,0,4) R03-M1-N14-J26
Task 2661 of 4096 (2,1,0,3,0,5) R03-M1-N14-J26
Task 2662 of 4096 (2,1,0,3,0,6) R03-M1-N14-J26
Task 2663 of 4096 (2,1,0,3,0,7) R03-M1-N14-J26
Task 2664 of 4096 (2,1,0,3,0,8) R03-M1-N14-J26
Task 2665 of 4096 (2,1,0,3,0,9) R03-M1-N14-J26
Task 2666 of 4096 (2,1,0,3,0,10) R03-M1-N14-J26
Task 2667 of 4096 (2,1,0,3,0,11) R03-M1-N14-J26
Task 2668 of 4096 (2,1,0,3,0,12) R03-M1-N14-J26
Task 2669 of 4096 (2,1,0,3,0,13) R03-M1-N14-J26
Task 2670 of 4096 (2,1,0,3,0,14) R03-M1-N14-J26
Task 2671 of 4096 (2,1,0,3,0,15) R03-M1-N14-J26
Task 2672 of 4096 (2,1,0,3,1,0) R03-M1-N14-J29
Task 2673 of 4096 (2,1,0,3,1,1) R03-M1-N14-J29
Task 2674 of 4096 (2,1,0,3,1,2) R03-M1-N14-J29
Task 2675 of 4096 (2,1,0,3,1,3) R03-M1-N14-J29
Task 2676 of 4096 (2,1,0,3,1,4) R03-M1-N14-J29
Task 2677 of 4096 (2,1,0,3,1,5) R03-M1-N14-J29
Task 2678 of 4096 (2,1,0,3,1,6) R03-M1-N14-J29
Task 2679 of 4096 (2,1,0,3,1,7) R03-M1-N14-J29
Task 2680 of 4096 (2,1,0,3,1,8) R03-M1-N14-J29
Task 2681 of 4096 (2,1,0,3,1,9) R03-M1-N14-J29
Task 2682 of 4096 (2,1,0,3,1,10) R03-M1-N14-J29
Task 2683 of 4096 (2,1,0,3,1,11) R03-M1-N14-J29
Task 2684 of 4096 (2,1,0,3,1,12) R03-M1-N14-J29
Task 2685 of 4096 (2,1,0,3,1,13) R03-M1-N14-J29
Task 2686 of 4096 (2,1,0,3,1,14) R03-M1-N14-J29
Task 2687 of 4096 (2,1,0,3,1,15) R03-M1-N14-J29
Task 2688 of 4096 (2,1,1,0,0,0) R03-M1-N12-J27
Task 2689 of 4096 (2,1,1,0,0,1) R03-M1-N12-J27
Task 2690 of 4096 (2,1,1,0,0,2) R03-M1-N12-J27
Task 2691 of 4096 (2,1,1,0,0,3) R03-M1-N12-J27
Task 2692 of 4096 (2,1,1,0,0,4) R03-M1-N12-J27
Task 2693 of 4096 (2,1,1,0,0,5) R03-M1-N12-J27
Task 2694 of 4096 (2,1,1,0,0,6) R03-M1-N12-J27
Task 2695 of 4096 (2,1,1,0,0,7) R03-M1-N12-J27
Task 2696 of 4096 (2,1,1,0,0,8) R03-M1-N12-J27
Task 2697 of 4096 (2,1,1,0,0,9) R03-M1-N12-J27
Task 2698 of 4096 (2,1,1,0,0,10) R03-M1-N12-J27
Task 2699 of 4096 (2,1,1,0,0,11) R03-M1-N12-J27
Task 2700 of 4096 (2,1,1,0,0,12) R03-M1-N12-J27
Task 2701 of 4096 (2,1,1,0,0,13) R03-M1-N12-J27
Task 2702 of 4096 (2,1,1,0,0,14) R03-M1-N12-J27
Task 2703 of 4096 (2,1,1,0,0,15) R03-M1-N12-J27
Task 2704 of 4096 (2,1,1,0,1,0) R03-M1-N12-J28
Task 2705 of 4096 (2,1,1,0,1,1) R03-M1-N12-J28
Task 2706 of 4096 (2,1,1,0,1,2) R03-M1-N12-J28
Task 2707 of 4096 (2,1,1,0,1,3) R03-M1-N12-J28
Task 2708 of 4096 (2,1,1,0,1,4) R03-M1-N12-J28
Task 2709 of 4096 (2,1,1,0,1,5) R03-M1-N12-J28
Task 2710 of 4096 (2,1,1,0,1,6) R03-M1-N12-J28
Task 2711 of 4096 (2,1,1,0,1,7) R03-M1-N12-J28
Task 2712 of 4096 (2,1,1,0,1,8) R03-M1-N12-J28
Task 2713 of 4096 (2,1,1,0,1,9) R03-M1-N12-J28
Task 2714 of 4096 (2,1,1,0,1,10) R03-M1-N12-J28
Task 2715 of 4096 (2,1,1,0,1,11) R03-M1-N12-J28
Task 2716 of 4096 (2,1,1,0,1,12) R03-M1-N12-J28
Task 2717 of 4096 (2,1,1,0,1,13) R03-M1-N12-J28
Task 2718 of 4096 (2,1,1,0,1,14) R03-M1-N12-J28
Task 2719 of 4096 (2,1,1,0,1,15) R03-M1-N12-J28
Task 2720 of 4096 (2,1,1,1,0,0) R03-M1-N12-J23
Task 2721 of 4096 (2,1,1,1,0,1) R03-M1-N12-J23
Task 2722 of 4096 (2,1,1,1,0,2) R03-M1-N12-J23
Task 2723 of 4096 (2,1,1,1,0,3) R03-M1-N12-J23
Task 2724 of 4096 (2,1,1,1,0,4) R03-M1-N12-J23
Task 2725 of 4096 (2,1,1,1,0,5) R03-M1-N12-J23
Task 2726 of 4096 (2,1,1,1,0,6) R03-M1-N12-J23
Task 2727 of 4096 (2,1,1,1,0,7) R03-M1-N12-J23
Task 2728 of 4096 (2,1,1,1,0,8) R03-M1-N12-J23
Task 2729 of 4096 (2,1,1,1,0,9) R03-M1-N12-J23
Task 2730 of 4096 (2,1,1,1,0,10) R03-M1-N12-J23
Task 2731 of 4096 (2,1,1,1,0,11) R03-M1-N12-J23
Task 2732 of 4096 (2,1,1,1,0,12) R03-M1-N12-J23
Task 2733 of 4096 (2,1,1,1,0,13) R03-M1-N12-J23
Task 2734 of 4096 (2,1,1,1,0,14) R03-M1-N12-J23
Task 2735 of 4096 (2,1,1,1,0,15) R03-M1-N12-J23
Task 2736 of 4096 (2,1,1,1,1,0) R03-M1-N12-J16
Task 2737 of 4096 (2,1,1,1,1,1) R03-M1-N12-J16
Task 2738 of 4096 (2,1,1,1,1,2) R03-M1-N12-J16
Task 2739 of 4096 (2,1,1,1,1,3) R03-M1-N12-J16
Task 2740 of 4096 (2,1,1,1,1,4) R03-M1-N12-J16
Task 2741 of 4096 (2,1,1,1,1,5) R03-M1-N12-J16
Task 2742 of 4096 (2,1,1,1,1,6) R03-M1-N12-J16
Task 2743 of 4096 (2,1,1,1,1,7) R03-M1-N12-J16
Task 2744 of 4096 (2,1,1,1,1,8) R03-M1-N12-J16
Task 2745 of 4096 (2,1,1,1,1,9) R03-M1-N12-J16
Task 2746 of 4096 (2,1,1,1,1,10) R03-M1-N12-J16
Task 2747 of 4096 (2,1,1,1,1,11) R03-M1-N12-J16
Task 2748 of 4096 (2,1,1,1,1,12) R03-M1-N12-J16
Task 2749 of 4096 (2,1,1,1,1,13) R03-M1-N12-J16
Task 2750 of 4096 (2,1,1,1,1,14) R03-M1-N12-J16
Task 2751 of 4096 (2,1,1,1,1,15) R03-M1-N12-J16
Task 2752 of 4096 (2,1,1,2,0,0) R03-M1-N14-J23
Task 2753 of 4096 (2,1,1,2,0,1) R03-M1-N14-J23
Task 2754 of 4096 (2,1,1,2,0,2) R03-M1-N14-J23
Task 2755 of 4096 (2,1,1,2,0,3) R03-M1-N14-J23
Task 2756 of 4096 (2,1,1,2,0,4) R03-M1-N14-J23
Task 2757 of 4096 (2,1,1,2,0,5) R03-M1-N14-J23
Task 2758 of 4096 (2,1,1,2,0,6) R03-M1-N14-J23
Task 2759 of 4096 (2,1,1,2,0,7) R03-M1-N14-J23
Task 2760 of 4096 (2,1,1,2,0,8) R03-M1-N14-J23
Task 2761 of 4096 (2,1,1,2,0,9) R03-M1-N14-J23
Task 2762 of 4096 (2,1,1,2,0,10) R03-M1-N14-J23
Task 2763 of 4096 (2,1,1,2,0,11) R03-M1-N14-J23
Task 2764 of 4096 (2,1,1,2,0,12) R03-M1-N14-J23
Task 2765 of 4096 (2,1,1,2,0,13) R03-M1-N14-J23
Task 2766 of 4096 (2,1,1,2,0,14) R03-M1-N14-J23
Task 2767 of 4096 (2,1,1,2,0,15) R03-M1-N14-J23
Task 2768 of 4096 (2,1,1,2,1,0) R03-M1-N14-J16
Task 2769 of 4096 (2,1,1,2,1,1) R03-M1-N14-J16
Task 2770 of 4096 (2,1,1,2,1,2) R03-M1-N14-J16
Task 2771 of 4096 (2,1,1,2,1,3) R03-M1-N14-J16
Task 2772 of 4096 (2,1,1,2,1,4) R03-M1-N14-J16
Task 2773 of 4096 (2,1,1,2,1,5) R03-M1-N14-J16
Task 2774 of 4096 (2,1,1,2,1,6) R03-M1-N14-J16
Task 2775 of 4096 (2,1,1,2,1,7) R03-M1-N14-J16
Task 2776 of 4096 (2,1,1,2,1,8) R03-M1-N14-J16
Task 2777 of 4096 (2,1,1,2,1,9) R03-M1-N14-J16
Task 2778 of 4096 (2,1,1,2,1,10) R03-M1-N14-J16
Task 2779 of 4096 (2,1,1,2,1,11) R03-M1-N14-J16
Task 2780 of 4096 (2,1,1,2,1,12) R03-M1-N14-J16
Task 2781 of 4096 (2,1,1,2,1,13) R03-M1-N14-J16
Task 2782 of 4096 (2,1,1,2,1,14) R03-M1-N14-J16
Task 2783 of 4096 (2,1,1,2,1,15) R03-M1-N14-J16
Task 2784 of 4096 (2,1,1,3,0,0) R03-M1-N14-J27
Task 2785 of 4096 (2,1,1,3,0,1) R03-M1-N14-J27
Task 2786 of 4096 (2,1,1,3,0,2) R03-M1-N14-J27
Task 2787 of 4096 (2,1,1,3,0,3) R03-M1-N14-J27
Task 2788 of 4096 (2,1,1,3,0,4) R03-M1-N14-J27
Task 2789 of 4096 (2,1,1,3,0,5) R03-M1-N14-J27
Task 2790 of 4096 (2,1,1,3,0,6) R03-M1-N14-J27
Task 2791 of 4096 (2,1,1,3,0,7) R03-M1-N14-J27
Task 2792 of 4096 (2,1,1,3,0,8) R03-M1-N14-J27
Task 2793 of 4096 (2,1,1,3,0,9) R03-M1-N14-J27
Task 2794 of 4096 (2,1,1,3,0,10) R03-M1-N14-J27
Task 2795 of 4096 (2,1,1,3,0,11) R03-M1-N14-J27
Task 2796 of 4096 (2,1,1,3,0,12) R03-M1-N14-J27
Task 2797 of 4096 (2,1,1,3,0,13) R03-M1-N14-J27
Task 2798 of 4096 (2,1,1,3,0,14) R03-M1-N14-J27
Task 2799 of 4096 (2,1,1,3,0,15) R03-M1-N14-J27
Task 2800 of 4096 (2,1,1,3,1,0) R03-M1-N14-J28
Task 2801 of 4096 (2,1,1,3,1,1) R03-M1-N14-J28
Task 2802 of 4096 (2,1,1,3,1,2) R03-M1-N14-J28
Task 2803 of 4096 (2,1,1,3,1,3) R03-M1-N14-J28
Task 2804 of 4096 (2,1,1,3,1,4) R03-M1-N14-J28
Task 2805 of 4096 (2,1,1,3,1,5) R03-M1-N14-J28
Task 2806 of 4096 (2,1,1,3,1,6) R03-M1-N14-J28
Task 2807 of 4096 (2,1,1,3,1,7) R03-M1-N14-J28
Task 2808 of 4096 (2,1,1,3,1,8) R03-M1-N14-J28
Task 2809 of 4096 (2,1,1,3,1,9) R03-M1-N14-J28
Task 2810 of 4096 (2,1,1,3,1,10) R03-M1-N14-J28
Task 2811 of 4096 (2,1,1,3,1,11) R03-M1-N14-J28
Task 2812 of 4096 (2,1,1,3,1,12) R03-M1-N14-J28
Task 2813 of 4096 (2,1,1,3,1,13) R03-M1-N14-J28
Task 2814 of 4096 (2,1,1,3,1,14) R03-M1-N14-J28
Task 2815 of 4096 (2,1,1,3,1,15) R03-M1-N14-J28
Task 2816 of 4096 (2,1,2,0,0,0) R03-M1-N13-J27
Task 2817 of 4096 (2,1,2,0,0,1) R03-M1-N13-J27
Task 2818 of 4096 (2,1,2,0,0,2) R03-M1-N13-J27
Task 2819 of 4096 (2,1,2,0,0,3) R03-M1-N13-J27
Task 2820 of 4096 (2,1,2,0,0,4) R03-M1-N13-J27
Task 2821 of 4096 (2,1,2,0,0,5) R03-M1-N13-J27
Task 2822 of 4096 (2,1,2,0,0,6) R03-M1-N13-J27
Task 2823 of 4096 (2,1,2,0,0,7) R03-M1-N13-J27
Task 2824 of 4096 (2,1,2,0,0,8) R03-M1-N13-J27
Task 2825 of 4096 (2,1,2,0,0,9) R03-M1-N13-J27
Task 2826 of 4096 (2,1,2,0,0,10) R03-M1-N13-J27
Task 2827 of 4096 (2,1,2,0,0,11) R03-M1-N13-J27
Task 2828 of 4096 (2,1,2,0,0,12) R03-M1-N13-J27
Task 2829 of 4096 (2,1,2,0,0,13) R03-M1-N13-J27
Task 2830 of 4096 (2,1,2,0,0,14) R03-M1-N13-J27
Task 2831 of 4096 (2,1,2,0,0,15) R03-M1-N13-J27
Task 2832 of 4096 (2,1,2,0,1,0) R03-M1-N13-J28
Task 2833 of 4096 (2,1,2,0,1,1) R03-M1-N13-J28
Task 2834 of 4096 (2,1,2,0,1,2) R03-M1-N13-J28
Task 2835 of 4096 (2,1,2,0,1,3) R03-M1-N13-J28
Task 2836 of 4096 (2,1,2,0,1,4) R03-M1-N13-J28
Task 2837 of 4096 (2,1,2,0,1,5) R03-M1-N13-J28
Task 2838 of 4096 (2,1,2,0,1,6) R03-M1-N13-J28
Task 2839 of 4096 (2,1,2,0,1,7) R03-M1-N13-J28
Task 2840 of 4096 (2,1,2,0,1,8) R03-M1-N13-J28
Task 2841 of 4096 (2,1,2,0,1,9) R03-M1-N13-J28
Task 2842 of 4096 (2,1,2,0,1,10) R03-M1-N13-J28
Task 2843 of 4096 (2,1,2,0,1,11) R03-M1-N13-J28
Task 2844 of 4096 (2,1,2,0,1,12) R03-M1-N13-J28
Task 2845 of 4096 (2,1,2,0,1,13) R03-M1-N13-J28
Task 2846 of 4096 (2,1,2,0,1,14) R03-M1-N13-J28
Task 2847 of 4096 (2,1,2,0,1,15) R03-M1-N13-J28
Task 2848 of 4096 (2,1,2,1,0,0) R03-M1-N13-J23
Task 2849 of 4096 (2,1,2,1,0,1) R03-M1-N13-J23
Task 2850 of 4096 (2,1,2,1,0,2) R03-M1-N13-J23
Task 2851 of 4096 (2,1,2,1,0,3) R03-M1-N13-J23
Task 2852 of 4096 (2,1,2,1,0,4) R03-M1-N13-J23
Task 2853 of 4096 (2,1,2,1,0,5) R03-M1-N13-J23
Task 2854 of 4096 (2,1,2,1,0,6) R03-M1-N13-J23
Task 2855 of 4096 (2,1,2,1,0,7) R03-M1-N13-J23
Task 2856 of 4096 (2,1,2,1,0,8) R03-M1-N13-J23
Task 2857 of 4096 (2,1,2,1,0,9) R03-M1-N13-J23
Task 2858 of 4096 (2,1,2,1,0,10) R03-M1-N13-J23
Task 2859 of 4096 (2,1,2,1,0,11) R03-M1-N13-J23
Task 2860 of 4096 (2,1,2,1,0,12) R03-M1-N13-J23
Task 2861 of 4096 (2,1,2,1,0,13) R03-M1-N13-J23
Task 2862 of 4096 (2,1,2,1,0,14) R03-M1-N13-J23
Task 2863 of 4096 (2,1,2,1,0,15) R03-M1-N13-J23
Task 2864 of 4096 (2,1,2,1,1,0) R03-M1-N13-J16
Task 2865 of 4096 (2,1,2,1,1,1) R03-M1-N13-J16
Task 2866 of 4096 (2,1,2,1,1,2) R03-M1-N13-J16
Task 2867 of 4096 (2,1,2,1,1,3) R03-M1-N13-J16
Task 2868 of 4096 (2,1,2,1,1,4) R03-M1-N13-J16
Task 2869 of 4096 (2,1,2,1,1,5) R03-M1-N13-J16
Task 2870 of 4096 (2,1,2,1,1,6) R03-M1-N13-J16
Task 2871 of 4096 (2,1,2,1,1,7) R03-M1-N13-J16
Task 2872 of 4096 (2,1,2,1,1,8) R03-M1-N13-J16
Task 2873 of 4096 (2,1,2,1,1,9) R03-M1-N13-J16
Task 2874 of 4096 (2,1,2,1,1,10) R03-M1-N13-J16
Task 2875 of 4096 (2,1,2,1,1,11) R03-M1-N13-J16
Task 2876 of 4096 (2,1,2,1,1,12) R03-M1-N13-J16
Task 2877 of 4096 (2,1,2,1,1,13) R03-M1-N13-J16
Task 2878 of 4096 (2,1,2,1,1,14) R03-M1-N13-J16
Task 2879 of 4096 (2,1,2,1,1,15) R03-M1-N13-J16
Task 2880 of 4096 (2,1,2,2,0,0) R03-M1-N15-J23
Task 2881 of 4096 (2,1,2,2,0,1) R03-M1-N15-J23
Task 2882 of 4096 (2,1,2,2,0,2) R03-M1-N15-J23
Task 2883 of 4096 (2,1,2,2,0,3) R03-M1-N15-J23
Task 2884 of 4096 (2,1,2,2,0,4) R03-M1-N15-J23
Task 2885 of 4096 (2,1,2,2,0,5) R03-M1-N15-J23
Task 2886 of 4096 (2,1,2,2,0,6) R03-M1-N15-J23
Task 2887 of 4096 (2,1,2,2,0,7) R03-M1-N15-J23
Task 2888 of 4096 (2,1,2,2,0,8) R03-M1-N15-J23
Task 2889 of 4096 (2,1,2,2,0,9) R03-M1-N15-J23
Task 2890 of 4096 (2,1,2,2,0,10) R03-M1-N15-J23
Task 2891 of 4096 (2,1,2,2,0,11) R03-M1-N15-J23
Task 2892 of 4096 (2,1,2,2,0,12) R03-M1-N15-J23
Task 2893 of 4096 (2,1,2,2,0,13) R03-M1-N15-J23
Task 2894 of 4096 (2,1,2,2,0,14) R03-M1-N15-J23
Task 2895 of 4096 (2,1,2,2,0,15) R03-M1-N15-J23
Task 2896 of 4096 (2,1,2,2,1,0) R03-M1-N15-J16
Task 2897 of 4096 (2,1,2,2,1,1) R03-M1-N15-J16
Task 2898 of 4096 (2,1,2,2,1,2) R03-M1-N15-J16
Task 2899 of 4096 (2,1,2,2,1,3) R03-M1-N15-J16
Task 2900 of 4096 (2,1,2,2,1,4) R03-M1-N15-J16
Task 2901 of 4096 (2,1,2,2,1,5) R03-M1-N15-J16
Task 2902 of 4096 (2,1,2,2,1,6) R03-M1-N15-J16
Task 2903 of 4096 (2,1,2,2,1,7) R03-M1-N15-J16
Task 2904 of 4096 (2,1,2,2,1,8) R03-M1-N15-J16
Task 2905 of 4096 (2,1,2,2,1,9) R03-M1-N15-J16
Task 2906 of 4096 (2,1,2,2,1,10) R03-M1-N15-J16
Task 2907 of 4096 (2,1,2,2,1,11) R03-M1-N15-J16
Task 2908 of 4096 (2,1,2,2,1,12) R03-M1-N15-J16
Task 2909 of 4096 (2,1,2,2,1,13) R03-M1-N15-J16
Task 2910 of 4096 (2,1,2,2,1,14) R03-M1-N15-J16
Task 2911 of 4096 (2,1,2,2,1,15) R03-M1-N15-J16
Task 2912 of 4096 (2,1,2,3,0,0) R03-M1-N15-J27
Task 2913 of 4096 (2,1,2,3,0,1) R03-M1-N15-J27
Task 2914 of 4096 (2,1,2,3,0,2) R03-M1-N15-J27
Task 2915 of 4096 (2,1,2,3,0,3) R03-M1-N15-J27
Task 2916 of 4096 (2,1,2,3,0,4) R03-M1-N15-J27
Task 2917 of 4096 (2,1,2,3,0,5) R03-M1-N15-J27
Task 2918 of 4096 (2,1,2,3,0,6) R03-M1-N15-J27
Task 2919 of 4096 (2,1,2,3,0,7) R03-M1-N15-J27
Task 2920 of 4096 (2,1,2,3,0,8) R03-M1-N15-J27
Task 2921 of 4096 (2,1,2,3,0,9) R03-M1-N15-J27
Task 2922 of 4096 (2,1,2,3,0,10) R03-M1-N15-J27
Task 2923 of 4096 (2,1,2,3,0,11) R03-M1-N15-J27
Task 2924 of 4096 (2,1,2,3,0,12) R03-M1-N15-J27
Task 2925 of 4096 (2,1,2,3,0,13) R03-M1-N15-J27
Task 2926 of 4096 (2,1,2,3,0,14) R03-M1-N15-J27
Task 2927 of 4096 (2,1,2,3,0,15) R03-M1-N15-J27
Task 2928 of 4096 (2,1,2,3,1,0) R03-M1-N15-J28
Task 2929 of 4096 (2,1,2,3,1,1) R03-M1-N15-J28
Task 2930 of 4096 (2,1,2,3,1,2) R03-M1-N15-J28
Task 2931 of 4096 (2,1,2,3,1,3) R03-M1-N15-J28
Task 2932 of 4096 (2,1,2,3,1,4) R03-M1-N15-J28
Task 2933 of 4096 (2,1,2,3,1,5) R03-M1-N15-J28
Task 2934 of 4096 (2,1,2,3,1,6) R03-M1-N15-J28
Task 2935 of 4096 (2,1,2,3,1,7) R03-M1-N15-J28
Task 2936 of 4096 (2,1,2,3,1,8) R03-M1-N15-J28
Task 2937 of 4096 (2,1,2,3,1,9) R03-M1-N15-J28
Task 2938 of 4096 (2,1,2,3,1,10) R03-M1-N15-J28
Task 2939 of 4096 (2,1,2,3,1,11) R03-M1-N15-J28
Task 2940 of 4096 (2,1,2,3,1,12) R03-M1-N15-J28
Task 2941 of 4096 (2,1,2,3,1,13) R03-M1-N15-J28
Task 2942 of 4096 (2,1,2,3,1,14) R03-M1-N15-J28
Task 2943 of 4096 (2,1,2,3,1,15) R03-M1-N15-J28
Task 2944 of 4096 (2,1,3,0,0,0) R03-M1-N13-J26
Task 2945 of 4096 (2,1,3,0,0,1) R03-M1-N13-J26
Task 2946 of 4096 (2,1,3,0,0,2) R03-M1-N13-J26
Task 2947 of 4096 (2,1,3,0,0,3) R03-M1-N13-J26
Task 2948 of 4096 (2,1,3,0,0,4) R03-M1-N13-J26
Task 2949 of 4096 (2,1,3,0,0,5) R03-M1-N13-J26
Task 2950 of 4096 (2,1,3,0,0,6) R03-M1-N13-J26
Task 2951 of 4096 (2,1,3,0,0,7) R03-M1-N13-J26
Task 2952 of 4096 (2,1,3,0,0,8) R03-M1-N13-J26
Task 2953 of 4096 (2,1,3,0,0,9) R03-M1-N13-J26
Task 2954 of 4096 (2,1,3,0,0,10) R03-M1-N13-J26
Task 2955 of 4096 (2,1,3,0,0,11) R03-M1-N13-J26
Task 2956 of 4096 (2,1,3,0,0,12) R03-M1-N13-J26
Task 2957 of 4096 (2,1,3,0,0,13) R03-M1-N13-J26
Task 2958 of 4096 (2,1,3,0,0,14) R03-M1-N13-J26
Task 2959 of 4096 (2,1,3,0,0,15) R03-M1-N13-J26
Task 2960 of 4096 (2,1,3,0,1,0) R03-M1-N13-J29
Task 2961 of 4096 (2,1,3,0,1,1) R03-M1-N13-J29
Task 2962 of 4096 (2,1,3,0,1,2) R03-M1-N13-J29
Task 2963 of 4096 (2,1,3,0,1,3) R03-M1-N13-J29
Task 2964 of 4096 (2,1,3,0,1,4) R03-M1-N13-J29
Task 2965 of 4096 (2,1,3,0,1,5) R03-M1-N13-J29
Task 2966 of 4096 (2,1,3,0,1,6) R03-M1-N13-J29
Task 2967 of 4096 (2,1,3,0,1,7) R03-M1-N13-J29
Task 2968 of 4096 (2,1,3,0,1,8) R03-M1-N13-J29
Task 2969 of 4096 (2,1,3,0,1,9) R03-M1-N13-J29
Task 2970 of 4096 (2,1,3,0,1,10) R03-M1-N13-J29
Task 2971 of 4096 (2,1,3,0,1,11) R03-M1-N13-J29
Task 2972 of 4096 (2,1,3,0,1,12) R03-M1-N13-J29
Task 2973 of 4096 (2,1,3,0,1,13) R03-M1-N13-J29
Task 2974 of 4096 (2,1,3,0,1,14) R03-M1-N13-J29
Task 2975 of 4096 (2,1,3,0,1,15) R03-M1-N13-J29
Task 2976 of 4096 (2,1,3,1,0,0) R03-M1-N13-J22
Task 2977 of 4096 (2,1,3,1,0,1) R03-M1-N13-J22
Task 2978 of 4096 (2,1,3,1,0,2) R03-M1-N13-J22
Task 2979 of 4096 (2,1,3,1,0,3) R03-M1-N13-J22
Task 2980 of 4096 (2,1,3,1,0,4) R03-M1-N13-J22
Task 2981 of 4096 (2,1,3,1,0,5) R03-M1-N13-J22
Task 2982 of 4096 (2,1,3,1,0,6) R03-M1-N13-J22
Task 2983 of 4096 (2,1,3,1,0,7) R03-M1-N13-J22
Task 2984 of 4096 (2,1,3,1,0,8) R03-M1-N13-J22
Task 2985 of 4096 (2,1,3,1,0,9) R03-M1-N13-J22
Task 2986 of 4096 (2,1,3,1,0,10) R03-M1-N13-J22
Task 2987 of 4096 (2,1,3,1,0,11) R03-M1-N13-J22
Task 2988 of 4096 (2,1,3,1,0,12) R03-M1-N13-J22
Task 2989 of 4096 (2,1,3,1,0,13) R03-M1-N13-J22
Task 2990 of 4096 (2,1,3,1,0,14) R03-M1-N13-J22
Task 2991 of 4096 (2,1,3,1,0,15) R03-M1-N13-J22
Task 2992 of 4096 (2,1,3,1,1,0) R03-M1-N13-J17
Task 2993 of 4096 (2,1,3,1,1,1) R03-M1-N13-J17
Task 2994 of 4096 (2,1,3,1,1,2) R03-M1-N13-J17
Task 2995 of 4096 (2,1,3,1,1,3) R03-M1-N13-J17
Task 2996 of 4096 (2,1,3,1,1,4) R03-M1-N13-J17
Task 2997 of 4096 (2,1,3,1,1,5) R03-M1-N13-J17
Task 2998 of 4096 (2,1,3,1,1,6) R03-M1-N13-J17
Task 2999 of 4096 (2,1,3,1,1,7) R03-M1-N13-J17
Task 3000 of 4096 (2,1,3,1,1,8) R03-M1-N13-J17
Task 3001 of 4096 (2,1,3,1,1,9) R03-M1-N13-J17
Task 3002 of 4096 (2,1,3,1,1,10) R03-M1-N13-J17
Task 3003 of 4096 (2,1,3,1,1,11) R03-M1-N13-J17
Task 3004 of 4096 (2,1,3,1,1,12) R03-M1-N13-J17
Task 3005 of 4096 (2,1,3,1,1,13) R03-M1-N13-J17
Task 3006 of 4096 (2,1,3,1,1,14) R03-M1-N13-J17
Task 3007 of 4096 (2,1,3,1,1,15) R03-M1-N13-J17
Task 3008 of 4096 (2,1,3,2,0,0) R03-M1-N15-J22
Task 3009 of 4096 (2,1,3,2,0,1) R03-M1-N15-J22
Task 3010 of 4096 (2,1,3,2,0,2) R03-M1-N15-J22
Task 3011 of 4096 (2,1,3,2,0,3) R03-M1-N15-J22
Task 3012 of 4096 (2,1,3,2,0,4) R03-M1-N15-J22
Task 3013 of 4096 (2,1,3,2,0,5) R03-M1-N15-J22
Task 3014 of 4096 (2,1,3,2,0,6) R03-M1-N15-J22
Task 3015 of 4096 (2,1,3,2,0,7) R03-M1-N15-J22
Task 3016 of 4096 (2,1,3,2,0,8) R03-M1-N15-J22
Task 3017 of 4096 (2,1,3,2,0,9) R03-M1-N15-J22
Task 3018 of 4096 (2,1,3,2,0,10) R03-M1-N15-J22
Task 3019 of 4096 (2,1,3,2,0,11) R03-M1-N15-J22
Task 3020 of 4096 (2,1,3,2,0,12) R03-M1-N15-J22
Task 3021 of 4096 (2,1,3,2,0,13) R03-M1-N15-J22
Task 3022 of 4096 (2,1,3,2,0,14) R03-M1-N15-J22
Task 3023 of 4096 (2,1,3,2,0,15) R03-M1-N15-J22
Task 3024 of 4096 (2,1,3,2,1,0) R03-M1-N15-J17
Task 3025 of 4096 (2,1,3,2,1,1) R03-M1-N15-J17
Task 3026 of 4096 (2,1,3,2,1,2) R03-M1-N15-J17
Task 3027 of 4096 (2,1,3,2,1,3) R03-M1-N15-J17
Task 3028 of 4096 (2,1,3,2,1,4) R03-M1-N15-J17
Task 3029 of 4096 (2,1,3,2,1,5) R03-M1-N15-J17
Task 3030 of 4096 (2,1,3,2,1,6) R03-M1-N15-J17
Task 3031 of 4096 (2,1,3,2,1,7) R03-M1-N15-J17
Task 3032 of 4096 (2,1,3,2,1,8) R03-M1-N15-J17
Task 3033 of 4096 (2,1,3,2,1,9) R03-M1-N15-J17
Task 3034 of 4096 (2,1,3,2,1,10) R03-M1-N15-J17
Task 3035 of 4096 (2,1,3,2,1,11) R03-M1-N15-J17
Task 3036 of 4096 (2,1,3,2,1,12) R03-M1-N15-J17
Task 3037 of 4096 (2,1,3,2,1,13) R03-M1-N15-J17
Task 3038 of 4096 (2,1,3,2,1,14) R03-M1-N15-J17
Task 3039 of 4096 (2,1,3,2,1,15) R03-M1-N15-J17
Task 3040 of 4096 (2,1,3,3,0,0) R03-M1-N15-J26
Task 3041 of 4096 (2,1,3,3,0,1) R03-M1-N15-J26
Task 3042 of 4096 (2,1,3,3,0,2) R03-M1-N15-J26
Task 3043 of 4096 (2,1,3,3,0,3) R03-M1-N15-J26
Task 3044 of 4096 (2,1,3,3,0,4) R03-M1-N15-J26
Task 3045 of 4096 (2,1,3,3,0,5) R03-M1-N15-J26
Task 3046 of 4096 (2,1,3,3,0,6) R03-M1-N15-J26
Task 3047 of 4096 (2,1,3,3,0,7) R03-M1-N15-J26
Task 3048 of 4096 (2,1,3,3,0,8) R03-M1-N15-J26
Task 3049 of 4096 (2,1,3,3,0,9) R03-M1-N15-J26
Task 3050 of 4096 (2,1,3,3,0,10) R03-M1-N15-J26
Task 3051 of 4096 (2,1,3,3,0,11) R03-M1-N15-J26
Task 3052 of 4096 (2,1,3,3,0,12) R03-M1-N15-J26
Task 3053 of 4096 (2,1,3,3,0,13) R03-M1-N15-J26
Task 3054 of 4096 (2,1,3,3,0,14) R03-M1-N15-J26
Task 3055 of 4096 (2,1,3,3,0,15) R03-M1-N15-J26
Task 3056 of 4096 (2,1,3,3,1,0) R03-M1-N15-J29
Task 3057 of 4096 (2,1,3,3,1,1) R03-M1-N15-J29
Task 3058 of 4096 (2,1,3,3,1,2) R03-M1-N15-J29
Task 3059 of 4096 (2,1,3,3,1,3) R03-M1-N15-J29
Task 3060 of 4096 (2,1,3,3,1,4) R03-M1-N15-J29
Task 3061 of 4096 (2,1,3,3,1,5) R03-M1-N15-J29
Task 3062 of 4096 (2,1,3,3,1,6) R03-M1-N15-J29
Task 3063 of 4096 (2,1,3,3,1,7) R03-M1-N15-J29
Task 3064 of 4096 (2,1,3,3,1,8) R03-M1-N15-J29
Task 3065 of 4096 (2,1,3,3,1,9) R03-M1-N15-J29
Task 3066 of 4096 (2,1,3,3,1,10) R03-M1-N15-J29
Task 3067 of 4096 (2,1,3,3,1,11) R03-M1-N15-J29
Task 3068 of 4096 (2,1,3,3,1,12) R03-M1-N15-J29
Task 3069 of 4096 (2,1,3,3,1,13) R03-M1-N15-J29
Task 3070 of 4096 (2,1,3,3,1,14) R03-M1-N15-J29
Task 3071 of 4096 (2,1,3,3,1,15) R03-M1-N15-J29
Task 3072 of 4096 (3,0,0,0,0,0) R03-M1-N12-J04
Task 3073 of 4096 (3,0,0,0,0,1) R03-M1-N12-J04
Task 3074 of 4096 (3,0,0,0,0,2) R03-M1-N12-J04
Task 3075 of 4096 (3,0,0,0,0,3) R03-M1-N12-J04
Task 3076 of 4096 (3,0,0,0,0,4) R03-M1-N12-J04
Task 3077 of 4096 (3,0,0,0,0,5) R03-M1-N12-J04
Task 3078 of 4096 (3,0,0,0,0,6) R03-M1-N12-J04
Task 3079 of 4096 (3,0,0,0,0,7) R03-M1-N12-J04
Task 3080 of 4096 (3,0,0,0,0,8) R03-M1-N12-J04
Task 3081 of 4096 (3,0,0,0,0,9) R03-M1-N12-J04
Task 3082 of 4096 (3,0,0,0,0,10) R03-M1-N12-J04
Task 3083 of 4096 (3,0,0,0,0,11) R03-M1-N12-J04
Task 3084 of 4096 (3,0,0,0,0,12) R03-M1-N12-J04
Task 3085 of 4096 (3,0,0,0,0,13) R03-M1-N12-J04
Task 3086 of 4096 (3,0,0,0,0,14) R03-M1-N12-J04
Task 3087 of 4096 (3,0,0,0,0,15) R03-M1-N12-J04
Task 3088 of 4096 (3,0,0,0,1,0) R03-M1-N12-J03
Task 3089 of 4096 (3,0,0,0,1,1) R03-M1-N12-J03
Task 3090 of 4096 (3,0,0,0,1,2) R03-M1-N12-J03
Task 3091 of 4096 (3,0,0,0,1,3) R03-M1-N12-J03
Task 3092 of 4096 (3,0,0,0,1,4) R03-M1-N12-J03
Task 3093 of 4096 (3,0,0,0,1,5) R03-M1-N12-J03
Task 3094 of 4096 (3,0,0,0,1,6) R03-M1-N12-J03
Task 3095 of 4096 (3,0,0,0,1,7) R03-M1-N12-J03
Task 3096 of 4096 (3,0,0,0,1,8) R03-M1-N12-J03
Task 3097 of 4096 (3,0,0,0,1,9) R03-M1-N12-J03
Task 3098 of 4096 (3,0,0,0,1,10) R03-M1-N12-J03
Task 3099 of 4096 (3,0,0,0,1,11) R03-M1-N12-J03
Task 3100 of 4096 (3,0,0,0,1,12) R03-M1-N12-J03
Task 3101 of 4096 (3,0,0,0,1,13) R03-M1-N12-J03
Task 3102 of 4096 (3,0,0,0,1,14) R03-M1-N12-J03
Task 3103 of 4096 (3,0,0,0,1,15) R03-M1-N12-J03
Task 3104 of 4096 (3,0,0,1,0,0) R03-M1-N12-J08
Task 3105 of 4096 (3,0,0,1,0,1) R03-M1-N12-J08
Task 3106 of 4096 (3,0,0,1,0,2) R03-M1-N12-J08
Task 3107 of 4096 (3,0,0,1,0,3) R03-M1-N12-J08
Task 3108 of 4096 (3,0,0,1,0,4) R03-M1-N12-J08
Task 3109 of 4096 (3,0,0,1,0,5) R03-M1-N12-J08
Task 3110 of 4096 (3,0,0,1,0,6) R03-M1-N12-J08
Task 3111 of 4096 (3,0,0,1,0,7) R03-M1-N12-J08
Task 3112 of 4096 (3,0,0,1,0,8) R03-M1-N12-J08
Task 3113 of 4096 (3,0,0,1,0,9) R03-M1-N12-J08
Task 3114 of 4096 (3,0,0,1,0,10) R03-M1-N12-J08
Task 3115 of 4096 (3,0,0,1,0,11) R03-M1-N12-J08
Task 3116 of 4096 (3,0,0,1,0,12) R03-M1-N12-J08
Task 3117 of 4096 (3,0,0,1,0,13) R03-M1-N12-J08
Task 3118 of 4096 (3,0,0,1,0,14) R03-M1-N12-J08
Task 3119 of 4096 (3,0,0,1,0,15) R03-M1-N12-J08
Task 3120 of 4096 (3,0,0,1,1,0) R03-M1-N12-J15
Task 3121 of 4096 (3,0,0,1,1,1) R03-M1-N12-J15
Task 3122 of 4096 (3,0,0,1,1,2) R03-M1-N12-J15
Task 3123 of 4096 (3,0,0,1,1,3) R03-M1-N12-J15
Task 3124 of 4096 (3,0,0,1,1,4) R03-M1-N12-J15
Task 3125 of 4096 (3,0,0,1,1,5) R03-M1-N12-J15
Task 3126 of 4096 (3,0,0,1,1,6) R03-M1-N12-J15
Task 3127 of 4096 (3,0,0,1,1,7) R03-M1-N12-J15
Task 3128 of 4096 (3,0,0,1,1,8) R03-M1-N12-J15
Task 3129 of 4096 (3,0,0,1,1,9) R03-M1-N12-J15
Task 3130 of 4096 (3,0,0,1,1,10) R03-M1-N12-J15
Task 3131 of 4096 (3,0,0,1,1,11) R03-M1-N12-J15
Task 3132 of 4096 (3,0,0,1,1,12) R03-M1-N12-J15
Task 3133 of 4096 (3,0,0,1,1,13) R03-M1-N12-J15
Task 3134 of 4096 (3,0,0,1,1,14) R03-M1-N12-J15
Task 3135 of 4096 (3,0,0,1,1,15) R03-M1-N12-J15
Task 3136 of 4096 (3,0,0,2,0,0) R03-M1-N14-J08
Task 3137 of 4096 (3,0,0,2,0,1) R03-M1-N14-J08
Task 3138 of 4096 (3,0,0,2,0,2) R03-M1-N14-J08
Task 3139 of 4096 (3,0,0,2,0,3) R03-M1-N14-J08
Task 3140 of 4096 (3,0,0,2,0,4) R03-M1-N14-J08
Task 3141 of 4096 (3,0,0,2,0,5) R03-M1-N14-J08
Task 3142 of 4096 (3,0,0,2,0,6) R03-M1-N14-J08
Task 3143 of 4096 (3,0,0,2,0,7) R03-M1-N14-J08
Task 3144 of 4096 (3,0,0,2,0,8) R03-M1-N14-J08
Task 3145 of 4096 (3,0,0,2,0,9) R03-M1-N14-J08
Task 3146 of 4096 (3,0,0,2,0,10) R03-M1-N14-J08
Task 3147 of 4096 (3,0,0,2,0,11) R03-M1-N14-J08
Task 3148 of 4096 (3,0,0,2,0,12) R03-M1-N14-J08
Task 3149 of 4096 (3,0,0,2,0,13) R03-M1-N14-J08
Task 3150 of 4096 (3,0,0,2,0,14) R03-M1-N14-J08
Task 3151 of 4096 (3,0,0,2,0,15) R03-M1-N14-J08
Task 3152 of 4096 (3,0,0,2,1,0) R03-M1-N14-J15
Task 3153 of 4096 (3,0,0,2,1,1) R03-M1-N14-J15
Task 3154 of 4096 (3,0,0,2,1,2) R03-M1-N14-J15
Task 3155 of 4096 (3,0,0,2,1,3) R03-M1-N14-J15
Task 3156 of 4096 (3,0,0,2,1,4) R03-M1-N14-J15
Task 3157 of 4096 (3,0,0,2,1,5) R03-M1-N14-J15
Task 3158 of 4096 (3,0,0,2,1,6) R03-M1-N14-J15
Task 3159 of 4096 (3,0,0,2,1,7) R03-M1-N14-J15
Task 3160 of 4096 (3,0,0,2,1,8) R03-M1-N14-J15
Task 3161 of 4096 (3,0,0,2,1,9) R03-M1-N14-J15
Task 3162 of 4096 (3,0,0,2,1,10) R03-M1-N14-J15
Task 3163 of 4096 (3,0,0,2,1,11) R03-M1-N14-J15
Task 3164 of 4096 (3,0,0,2,1,12) R03-M1-N14-J15
Task 3165 of 4096 (3,0,0,2,1,13) R03-M1-N14-J15
Task 3166 of 4096 (3,0,0,2,1,14) R03-M1-N14-J15
Task 3167 of 4096 (3,0,0,2,1,15) R03-M1-N14-J15
Task 3168 of 4096 (3,0,0,3,0,0) R03-M1-N14-J04
Task 3169 of 4096 (3,0,0,3,0,1) R03-M1-N14-J04
Task 3170 of 4096 (3,0,0,3,0,2) R03-M1-N14-J04
Task 3171 of 4096 (3,0,0,3,0,3) R03-M1-N14-J04
Task 3172 of 4096 (3,0,0,3,0,4) R03-M1-N14-J04
Task 3173 of 4096 (3,0,0,3,0,5) R03-M1-N14-J04
Task 3174 of 4096 (3,0,0,3,0,6) R03-M1-N14-J04
Task 3175 of 4096 (3,0,0,3,0,7) R03-M1-N14-J04
Task 3176 of 4096 (3,0,0,3,0,8) R03-M1-N14-J04
Task 3177 of 4096 (3,0,0,3,0,9) R03-M1-N14-J04
Task 3178 of 4096 (3,0,0,3,0,10) R03-M1-N14-J04
Task 3179 of 4096 (3,0,0,3,0,11) R03-M1-N14-J04
Task 3180 of 4096 (3,0,0,3,0,12) R03-M1-N14-J04
Task 3181 of 4096 (3,0,0,3,0,13) R03-M1-N14-J04
Task 3182 of 4096 (3,0,0,3,0,14) R03-M1-N14-J04
Task 3183 of 4096 (3,0,0,3,0,15) R03-M1-N14-J04
Task 3184 of 4096 (3,0,0,3,1,0) R03-M1-N14-J03
Task 3185 of 4096 (3,0,0,3,1,1) R03-M1-N14-J03
Task 3186 of 4096 (3,0,0,3,1,2) R03-M1-N14-J03
Task 3187 of 4096 (3,0,0,3,1,3) R03-M1-N14-J03
Task 3188 of 4096 (3,0,0,3,1,4) R03-M1-N14-J03
Task 3189 of 4096 (3,0,0,3,1,5) R03-M1-N14-J03
Task 3190 of 4096 (3,0,0,3,1,6) R03-M1-N14-J03
Task 3191 of 4096 (3,0,0,3,1,7) R03-M1-N14-J03
Task 3192 of 4096 (3,0,0,3,1,8) R03-M1-N14-J03
Task 3193 of 4096 (3,0,0,3,1,9) R03-M1-N14-J03
Task 3194 of 4096 (3,0,0,3,1,10) R03-M1-N14-J03
Task 3195 of 4096 (3,0,0,3,1,11) R03-M1-N14-J03
Task 3196 of 4096 (3,0,0,3,1,12) R03-M1-N14-J03
Task 3197 of 4096 (3,0,0,3,1,13) R03-M1-N14-J03
Task 3198 of 4096 (3,0,0,3,1,14) R03-M1-N14-J03
Task 3199 of 4096 (3,0,0,3,1,15) R03-M1-N14-J03
Task 3200 of 4096 (3,0,1,0,0,0) R03-M1-N12-J05
Task 3201 of 4096 (3,0,1,0,0,1) R03-M1-N12-J05
Task 3202 of 4096 (3,0,1,0,0,2) R03-M1-N12-J05
Task 3203 of 4096 (3,0,1,0,0,3) R03-M1-N12-J05
Task 3204 of 4096 (3,0,1,0,0,4) R03-M1-N12-J05
Task 3205 of 4096 (3,0,1,0,0,5) R03-M1-N12-J05
Task 3206 of 4096 (3,0,1,0,0,6) R03-M1-N12-J05
Task 3207 of 4096 (3,0,1,0,0,7) R03-M1-N12-J05
Task 3208 of 4096 (3,0,1,0,0,8) R03-M1-N12-J05
Task 3209 of 4096 (3,0,1,0,0,9) R03-M1-N12-J05
Task 3210 of 4096 (3,0,1,0,0,10) R03-M1-N12-J05
Task 3211 of 4096 (3,0,1,0,0,11) R03-M1-N12-J05
Task 3212 of 4096 (3,0,1,0,0,12) R03-M1-N12-J05
Task 3213 of 4096 (3,0,1,0,0,13) R03-M1-N12-J05
Task 3214 of 4096 (3,0,1,0,0,14) R03-M1-N12-J05
Task 3215 of 4096 (3,0,1,0,0,15) R03-M1-N12-J05
Task 3216 of 4096 (3,0,1,0,1,0) R03-M1-N12-J02
Task 3217 of 4096 (3,0,1,0,1,1) R03-M1-N12-J02
Task 3218 of 4096 (3,0,1,0,1,2) R03-M1-N12-J02
Task 3219 of 4096 (3,0,1,0,1,3) R03-M1-N12-J02
Task 3220 of 4096 (3,0,1,0,1,4) R03-M1-N12-J02
Task 3221 of 4096 (3,0,1,0,1,5) R03-M1-N12-J02
Task 3222 of 4096 (3,0,1,0,1,6) R03-M1-N12-J02
Task 3223 of 4096 (3,0,1,0,1,7) R03-M1-N12-J02
Task 3224 of 4096 (3,0,1,0,1,8) R03-M1-N12-J02
Task 3225 of 4096 (3,0,1,0,1,9) R03-M1-N12-J02
Task 3226 of 4096 (3,0,1,0,1,10) R03-M1-N12-J02
Task 3227 of 4096 (3,0,1,0,1,11) R03-M1-N12-J02
Task 3228 of 4096 (3,0,1,0,1,12) R03-M1-N12-J02
Task 3229 of 4096 (3,0,1,0,1,13) R03-M1-N12-J02
Task 3230 of 4096 (3,0,1,0,1,14) R03-M1-N12-J02
Task 3231 of 4096 (3,0,1,0,1,15) R03-M1-N12-J02
Task 3232 of 4096 (3,0,1,1,0,0) R03-M1-N12-J09
Task 3233 of 4096 (3,0,1,1,0,1) R03-M1-N12-J09
Task 3234 of 4096 (3,0,1,1,0,2) R03-M1-N12-J09
Task 3235 of 4096 (3,0,1,1,0,3) R03-M1-N12-J09
Task 3236 of 4096 (3,0,1,1,0,4) R03-M1-N12-J09
Task 3237 of 4096 (3,0,1,1,0,5) R03-M1-N12-J09
Task 3238 of 4096 (3,0,1,1,0,6) R03-M1-N12-J09
Task 3239 of 4096 (3,0,1,1,0,7) R03-M1-N12-J09
Task 3240 of 4096 (3,0,1,1,0,8) R03-M1-N12-J09
Task 3241 of 4096 (3,0,1,1,0,9) R03-M1-N12-J09
Task 3242 of 4096 (3,0,1,1,0,10) R03-M1-N12-J09
Task 3243 of 4096 (3,0,1,1,0,11) R03-M1-N12-J09
Task 3244 of 4096 (3,0,1,1,0,12) R03-M1-N12-J09
Task 3245 of 4096 (3,0,1,1,0,13) R03-M1-N12-J09
Task 3246 of 4096 (3,0,1,1,0,14) R03-M1-N12-J09
Task 3247 of 4096 (3,0,1,1,0,15) R03-M1-N12-J09
Task 3248 of 4096 (3,0,1,1,1,0) R03-M1-N12-J14
Task 3249 of 4096 (3,0,1,1,1,1) R03-M1-N12-J14
Task 3250 of 4096 (3,0,1,1,1,2) R03-M1-N12-J14
Task 3251 of 4096 (3,0,1,1,1,3) R03-M1-N12-J14
Task 3252 of 4096 (3,0,1,1,1,4) R03-M1-N12-J14
Task 3253 of 4096 (3,0,1,1,1,5) R03-M1-N12-J14
Task 3254 of 4096 (3,0,1,1,1,6) R03-M1-N12-J14
Task 3255 of 4096 (3,0,1,1,1,7) R03-M1-N12-J14
Task 3256 of 4096 (3,0,1,1,1,8) R03-M1-N12-J14
Task 3257 of 4096 (3,0,1,1,1,9) R03-M1-N12-J14
Task 3258 of 4096 (3,0,1,1,1,10) R03-M1-N12-J14
Task 3259 of 4096 (3,0,1,1,1,11) R03-M1-N12-J14
Task 3260 of 4096 (3,0,1,1,1,12) R03-M1-N12-J14
Task 3261 of 4096 (3,0,1,1,1,13) R03-M1-N12-J14
Task 3262 of 4096 (3,0,1,1,1,14) R03-M1-N12-J14
Task 3263 of 4096 (3,0,1,1,1,15) R03-M1-N12-J14
Task 3264 of 4096 (3,0,1,2,0,0) R03-M1-N14-J09
Task 3265 of 4096 (3,0,1,2,0,1) R03-M1-N14-J09
Task 3266 of 4096 (3,0,1,2,0,2) R03-M1-N14-J09
Task 3267 of 4096 (3,0,1,2,0,3) R03-M1-N14-J09
Task 3268 of 4096 (3,0,1,2,0,4) R03-M1-N14-J09
Task 3269 of 4096 (3,0,1,2,0,5) R03-M1-N14-J09
Task 3270 of 4096 (3,0,1,2,0,6) R03-M1-N14-J09
Task 3271 of 4096 (3,0,1,2,0,7) R03-M1-N14-J09
Task 3272 of 4096 (3,0,1,2,0,8) R03-M1-N14-J09
Task 3273 of 4096 (3,0,1,2,0,9) R03-M1-N14-J09
Task 3274 of 4096 (3,0,1,2,0,10) R03-M1-N14-J09
Task 3275 of 4096 (3,0,1,2,0,11) R03-M1-N14-J09
Task 3276 of 4096 (3,0,1,2,0,12) R03-M1-N14-J09
Task 3277 of 4096 (3,0,1,2,0,13) R03-M1-N14-J09
Task 3278 of 4096 (3,0,1,2,0,14) R03-M1-N14-J09
Task 3279 of 4096 (3,0,1,2,0,15) R03-M1-N14-J09
Task 3280 of 4096 (3,0,1,2,1,0) R03-M1-N14-J14
Task 3281 of 4096 (3,0,1,2,1,1) R03-M1-N14-J14
Task 3282 of 4096 (3,0,1,2,1,2) R03-M1-N14-J14
Task 3283 of 4096 (3,0,1,2,1,3) R03-M1-N14-J14
Task 3284 of 4096 (3,0,1,2,1,4) R03-M1-N14-J14
Task 3285 of 4096 (3,0,1,2,1,5) R03-M1-N14-J14
Task 3286 of 4096 (3,0,1,2,1,6) R03-M1-N14-J14
Task 3287 of 4096 (3,0,1,2,1,7) R03-M1-N14-J14
Task 3288 of 4096 (3,0,1,2,1,8) R03-M1-N14-J14
Task 3289 of 4096 (3,0,1,2,1,9) R03-M1-N14-J14
Task 3290 of 4096 (3,0,1,2,1,10) R03-M1-N14-J14
Task 3291 of 4096 (3,0,1,2,1,11) R03-M1-N14-J14
Task 3292 of 4096 (3,0,1,2,1,12) R03-M1-N14-J14
Task 3293 of 4096 (3,0,1,2,1,13) R03-M1-N14-J14
Task 3294 of 4096 (3,0,1,2,1,14) R03-M1-N14-J14
Task 3295 of 4096 (3,0,1,2,1,15) R03-M1-N14-J14
Task 3296 of 4096 (3,0,1,3,0,0) R03-M1-N14-J05
Task 3297 of 4096 (3,0,1,3,0,1) R03-M1-N14-J05
Task 3298 of 4096 (3,0,1,3,0,2) R03-M1-N14-J05
Task 3299 of 4096 (3,0,1,3,0,3) R03-M1-N14-J05
Task 3300 of 4096 (3,0,1,3,0,4) R03-M1-N14-J05
Task 3301 of 4096 (3,0,1,3,0,5) R03-M1-N14-J05
Task 3302 of 4096 (3,0,1,3,0,6) R03-M1-N14-J05
Task 3303 of 4096 (3,0,1,3,0,7) R03-M1-N14-J05
Task 3304 of 4096 (3,0,1,3,0,8) R03-M1-N14-J05
Task 3305 of 4096 (3,0,1,3,0,9) R03-M1-N14-J05
Task 3306 of 4096 (3,0,1,3,0,10) R03-M1-N14-J05
Task 3307 of 4096 (3,0,1,3,0,11) R03-M1-N14-J05
Task 3308 of 4096 (3,0,1,3,0,12) R03-M1-N14-J05
Task 3309 of 4096 (3,0,1,3,0,13) R03-M1-N14-J05
Task 3310 of 4096 (3,0,1,3,0,14) R03-M1-N14-J05
Task 3311 of 4096 (3,0,1,3,0,15) R03-M1-N14-J05
Task 3312 of 4096 (3,0,1,3,1,0) R03-M1-N14-J02
Task 3313 of 4096 (3,0,1,3,1,1) R03-M1-N14-J02
Task 3314 of 4096 (3,0,1,3,1,2) R03-M1-N14-J02
Task 3315 of 4096 (3,0,1,3,1,3) R03-M1-N14-J02
Task 3316 of 4096 (3,0,1,3,1,4) R03-M1-N14-J02
Task 3317 of 4096 (3,0,1,3,1,5) R03-M1-N14-J02
Task 3318 of 4096 (3,0,1,3,1,6) R03-M1-N14-J02
Task 3319 of 4096 (3,0,1,3,1,7) R03-M1-N14-J02
Task 3320 of 4096 (3,0,1,3,1,8) R03-M1-N14-J02
Task 3321 of 4096 (3,0,1,3,1,9) R03-M1-N14-J02
Task 3322 of 4096 (3,0,1,3,1,10) R03-M1-N14-J02
Task 3323 of 4096 (3,0,1,3,1,11) R03-M1-N14-J02
Task 3324 of 4096 (3,0,1,3,1,12) R03-M1-N14-J02
Task 3325 of 4096 (3,0,1,3,1,13) R03-M1-N14-J02
Task 3326 of 4096 (3,0,1,3,1,14) R03-M1-N14-J02
Task 3327 of 4096 (3,0,1,3,1,15) R03-M1-N14-J02
Task 3328 of 4096 (3,0,2,0,0,0) R03-M1-N13-J05
Task 3329 of 4096 (3,0,2,0,0,1) R03-M1-N13-J05
Task 3330 of 4096 (3,0,2,0,0,2) R03-M1-N13-J05
Task 3331 of 4096 (3,0,2,0,0,3) R03-M1-N13-J05
Task 3332 of 4096 (3,0,2,0,0,4) R03-M1-N13-J05
Task 3333 of 4096 (3,0,2,0,0,5) R03-M1-N13-J05
Task 3334 of 4096 (3,0,2,0,0,6) R03-M1-N13-J05
Task 3335 of 4096 (3,0,2,0,0,7) R03-M1-N13-J05
Task 3336 of 4096 (3,0,2,0,0,8) R03-M1-N13-J05
Task 3337 of 4096 (3,0,2,0,0,9) R03-M1-N13-J05
Task 3338 of 4096 (3,0,2,0,0,10) R03-M1-N13-J05
Task 3339 of 4096 (3,0,2,0,0,11) R03-M1-N13-J05
Task 3340 of 4096 (3,0,2,0,0,12) R03-M1-N13-J05
Task 3341 of 4096 (3,0,2,0,0,13) R03-M1-N13-J05
Task 3342 of 4096 (3,0,2,0,0,14) R03-M1-N13-J05
Task 3343 of 4096 (3,0,2,0,0,15) R03-M1-N13-J05
Task 3344 of 4096 (3,0,2,0,1,0) R03-M1-N13-J02
Task 3345 of 4096 (3,0,2,0,1,1) R03-M1-N13-J02
Task 3346 of 4096 (3,0,2,0,1,2) R03-M1-N13-J02
Task 3347 of 4096 (3,0,2,0,1,3) R03-M1-N13-J02
Task 3348 of 4096 (3,0,2,0,1,4) R03-M1-N13-J02
Task 3349 of 4096 (3,0,2,0,1,5) R03-M1-N13-J02
Task 3350 of 4096 (3,0,2,0,1,6) R03-M1-N13-J02
Task 3351 of 4096 (3,0,2,0,1,7) R03-M1-N13-J02
Task 3352 of 4096 (3,0,2,0,1,8) R03-M1-N13-J02
Task 3353 of 4096 (3,0,2,0,1,9) R03-M1-N13-J02
Task 3354 of 4096 (3,0,2,0,1,10) R03-M1-N13-J02
Task 3355 of 4096 (3,0,2,0,1,11) R03-M1-N13-J02
Task 3356 of 4096 (3,0,2,0,1,12) R03-M1-N13-J02
Task 3357 of 4096 (3,0,2,0,1,13) R03-M1-N13-J02
Task 3358 of 4096 (3,0,2,0,1,14) R03-M1-N13-J02
Task 3359 of 4096 (3,0,2,0,1,15) R03-M1-N13-J02
Task 3360 of 4096 (3,0,2,1,0,0) R03-M1-N13-J09
Task 3361 of 4096 (3,0,2,1,0,1) R03-M1-N13-J09
Task 3362 of 4096 (3,0,2,1,0,2) R03-M1-N13-J09
Task 3363 of 4096 (3,0,2,1,0,3) R03-M1-N13-J09
Task 3364 of 4096 (3,0,2,1,0,4) R03-M1-N13-J09
Task 3365 of 4096 (3,0,2,1,0,5) R03-M1-N13-J09
Task 3366 of 4096 (3,0,2,1,0,6) R03-M1-N13-J09
Task 3367 of 4096 (3,0,2,1,0,7) R03-M1-N13-J09
Task 3368 of 4096 (3,0,2,1,0,8) R03-M1-N13-J09
Task 3369 of 4096 (3,0,2,1,0,9) R03-M1-N13-J09
Task 3370 of 4096 (3,0,2,1,0,10) R03-M1-N13-J09
Task 3371 of 4096 (3,0,2,1,0,11) R03-M1-N13-J09
Task 3372 of 4096 (3,0,2,1,0,12) R03-M1-N13-J09
Task 3373 of 4096 (3,0,2,1,0,13) R03-M1-N13-J09
Task 3374 of 4096 (3,0,2,1,0,14) R03-M1-N13-J09
Task 3375 of 4096 (3,0,2,1,0,15) R03-M1-N13-J09
Task 3376 of 4096 (3,0,2,1,1,0) R03-M1-N13-J14
Task 3377 of 4096 (3,0,2,1,1,1) R03-M1-N13-J14
Task 3378 of 4096 (3,0,2,1,1,2) R03-M1-N13-J14
Task 3379 of 4096 (3,0,2,1,1,3) R03-M1-N13-J14
Task 3380 of 4096 (3,0,2,1,1,4) R03-M1-N13-J14
Task 3381 of 4096 (3,0,2,1,1,5) R03-M1-N13-J14
Task 3382 of 4096 (3,0,2,1,1,6) R03-M1-N13-J14
Task 3383 of 4096 (3,0,2,1,1,7) R03-M1-N13-J14
Task 3384 of 4096 (3,0,2,1,1,8) R03-M1-N13-J14
Task 3385 of 4096 (3,0,2,1,1,9) R03-M1-N13-J14
Task 3386 of 4096 (3,0,2,1,1,10) R03-M1-N13-J14
Task 3387 of 4096 (3,0,2,1,1,11) R03-M1-N13-J14
Task 3388 of 4096 (3,0,2,1,1,12) R03-M1-N13-J14
Task 3389 of 4096 (3,0,2,1,1,13) R03-M1-N13-J14
Task 3390 of 4096 (3,0,2,1,1,14) R03-M1-N13-J14
Task 3391 of 4096 (3,0,2,1,1,15) R03-M1-N13-J14
Task 3392 of 4096 (3,0,2,2,0,0) R03-M1-N15-J09
Task 3393 of 4096 (3,0,2,2,0,1) R03-M1-N15-J09
Task 3394 of 4096 (3,0,2,2,0,2) R03-M1-N15-J09
Task 3395 of 4096 (3,0,2,2,0,3) R03-M1-N15-J09
Task 3396 of 4096 (3,0,2,2,0,4) R03-M1-N15-J09
Task 3397 of 4096 (3,0,2,2,0,5) R03-M1-N15-J09
Task 3398 of 4096 (3,0,2,2,0,6) R03-M1-N15-J09
Task 3399 of 4096 (3,0,2,2,0,7) R03-M1-N15-J09
Task 3400 of 4096 (3,0,2,2,0,8) R03-M1-N15-J09
Task 3401 of 4096 (3,0,2,2,0,9) R03-M1-N15-J09
Task 3402 of 4096 (3,0,2,2,0,10) R03-M1-N15-J09
Task 3403 of 4096 (3,0,2,2,0,11) R03-M1-N15-J09
Task 3404 of 4096 (3,0,2,2,0,12) R03-M1-N15-J09
Task 3405 of 4096 (3,0,2,2,0,13) R03-M1-N15-J09
Task 3406 of 4096 (3,0,2,2,0,14) R03-M1-N15-J09
Task 3407 of 4096 (3,0,2,2,0,15) R03-M1-N15-J09
Task 3408 of 4096 (3,0,2,2,1,0) R03-M1-N15-J14
Task 3409 of 4096 (3,0,2,2,1,1) R03-M1-N15-J14
Task 3410 of 4096 (3,0,2,2,1,2) R03-M1-N15-J14
Task 3411 of 4096 (3,0,2,2,1,3) R03-M1-N15-J14
Task 3412 of 4096 (3,0,2,2,1,4) R03-M1-N15-J14
Task 3413 of 4096 (3,0,2,2,1,5) R03-M1-N15-J14
Task 3414 of 4096 (3,0,2,2,1,6) R03-M1-N15-J14
Task 3415 of 4096 (3,0,2,2,1,7) R03-M1-N15-J14
Task 3416 of 4096 (3,0,2,2,1,8) R03-M1-N15-J14
Task 3417 of 4096 (3,0,2,2,1,9) R03-M1-N15-J14
Task 3418 of 4096 (3,0,2,2,1,10) R03-M1-N15-J14
Task 3419 of 4096 (3,0,2,2,1,11) R03-M1-N15-J14
Task 3420 of 4096 (3,0,2,2,1,12) R03-M1-N15-J14
Task 3421 of 4096 (3,0,2,2,1,13) R03-M1-N15-J14
Task 3422 of 4096 (3,0,2,2,1,14) R03-M1-N15-J14
Task 3423 of 4096 (3,0,2,2,1,15) R03-M1-N15-J14
Task 3424 of 4096 (3,0,2,3,0,0) R03-M1-N15-J05
Task 3425 of 4096 (3,0,2,3,0,1) R03-M1-N15-J05
Task 3426 of 4096 (3,0,2,3,0,2) R03-M1-N15-J05
Task 3427 of 4096 (3,0,2,3,0,3) R03-M1-N15-J05
Task 3428 of 4096 (3,0,2,3,0,4) R03-M1-N15-J05
Task 3429 of 4096 (3,0,2,3,0,5) R03-M1-N15-J05
Task 3430 of 4096 (3,0,2,3,0,6) R03-M1-N15-J05
Task 3431 of 4096 (3,0,2,3,0,7) R03-M1-N15-J05
Task 3432 of 4096 (3,0,2,3,0,8) R03-M1-N15-J05
Task 3433 of 4096 (3,0,2,3,0,9) R03-M1-N15-J05
Task 3434 of 4096 (3,0,2,3,0,10) R03-M1-N15-J05
Task 3435 of 4096 (3,0,2,3,0,11) R03-M1-N15-J05
Task 3436 of 4096 (3,0,2,3,0,12) R03-M1-N15-J05
Task 3437 of 4096 (3,0,2,3,0,13) R03-M1-N15-J05
Task 3438 of 4096 (3,0,2,3,0,14) R03-M1-N15-J05
Task 3439 of 4096 (3,0,2,3,0,15) R03-M1-N15-J05
Task 3440 of 4096 (3,0,2,3,1,0) R03-M1-N15-J02
Task 3441 of 4096 (3,0,2,3,1,1) R03-M1-N15-J02
Task 3442 of 4096 (3,0,2,3,1,2) R03-M1-N15-J02
Task 3443 of 4096 (3,0,2,3,1,3) R03-M1-N15-J02
Task 3444 of 4096 (3,0,2,3,1,4) R03-M1-N15-J02
Task 3445 of 4096 (3,0,2,3,1,5) R03-M1-N15-J02
Task 3446 of 4096 (3,0,2,3,1,6) R03-M1-N15-J02
Task 3447 of 4096 (3,0,2,3,1,7) R03-M1-N15-J02
Task 3448 of 4096 (3,0,2,3,1,8) R03-M1-N15-J02
Task 3449 of 4096 (3,0,2,3,1,9) R03-M1-N15-J02
Task 3450 of 4096 (3,0,2,3,1,10) R03-M1-N15-J02
Task 3451 of 4096 (3,0,2,3,1,11) R03-M1-N15-J02
Task 3452 of 4096 (3,0,2,3,1,12) R03-M1-N15-J02
Task 3453 of 4096 (3,0,2,3,1,13) R03-M1-N15-J02
Task 3454 of 4096 (3,0,2,3,1,14) R03-M1-N15-J02
Task 3455 of 4096 (3,0,2,3,1,15) R03-M1-N15-J02
Task 3456 of 4096 (3,0,3,0,0,0) R03-M1-N13-J04
Task 3457 of 4096 (3,0,3,0,0,1) R03-M1-N13-J04
Task 3458 of 4096 (3,0,3,0,0,2) R03-M1-N13-J04
Task 3459 of 4096 (3,0,3,0,0,3) R03-M1-N13-J04
Task 3460 of 4096 (3,0,3,0,0,4) R03-M1-N13-J04
Task 3461 of 4096 (3,0,3,0,0,5) R03-M1-N13-J04
Task 3462 of 4096 (3,0,3,0,0,6) R03-M1-N13-J04
Task 3463 of 4096 (3,0,3,0,0,7) R03-M1-N13-J04
Task 3464 of 4096 (3,0,3,0,0,8) R03-M1-N13-J04
Task 3465 of 4096 (3,0,3,0,0,9) R03-M1-N13-J04
Task 3466 of 4096 (3,0,3,0,0,10) R03-M1-N13-J04
Task 3467 of 4096 (3,0,3,0,0,11) R03-M1-N13-J04
Task 3468 of 4096 (3,0,3,0,0,12) R03-M1-N13-J04
Task 3469 of 4096 (3,0,3,0,0,13) R03-M1-N13-J04
Task 3470 of 4096 (3,0,3,0,0,14) R03-M1-N13-J04
Task 3471 of 4096 (3,0,3,0,0,15) R03-M1-N13-J04
Task 3472 of 4096 (3,0,3,0,1,0) R03-M1-N13-J03
Task 3473 of 4096 (3,0,3,0,1,1) R03-M1-N13-J03
Task 3474 of 4096 (3,0,3,0,1,2) R03-M1-N13-J03
Task 3475 of 4096 (3,0,3,0,1,3) R03-M1-N13-J03
Task 3476 of 4096 (3,0,3,0,1,4) R03-M1-N13-J03
Task 3477 of 4096 (3,0,3,0,1,5) R03-M1-N13-J03
Task 3478 of 4096 (3,0,3,0,1,6) R03-M1-N13-J03
Task 3479 of 4096 (3,0,3,0,1,7) R03-M1-N13-J03
Task 3480 of 4096 (3,0,3,0,1,8) R03-M1-N13-J03
Task 3481 of 4096 (3,0,3,0,1,9) R03-M1-N13-J03
Task 3482 of 4096 (3,0,3,0,1,10) R03-M1-N13-J03
Task 3483 of 4096 (3,0,3,0,1,11) R03-M1-N13-J03
Task 3484 of 4096 (3,0,3,0,1,12) R03-M1-N13-J03
Task 3485 of 4096 (3,0,3,0,1,13) R03-M1-N13-J03
Task 3486 of 4096 (3,0,3,0,1,14) R03-M1-N13-J03
Task 3487 of 4096 (3,0,3,0,1,15) R03-M1-N13-J03
Task 3488 of 4096 (3,0,3,1,0,0) R03-M1-N13-J08
Task 3489 of 4096 (3,0,3,1,0,1) R03-M1-N13-J08
Task 3490 of 4096 (3,0,3,1,0,2) R03-M1-N13-J08
Task 3491 of 4096 (3,0,3,1,0,3) R03-M1-N13-J08
Task 3492 of 4096 (3,0,3,1,0,4) R03-M1-N13-J08
Task 3493 of 4096 (3,0,3,1,0,5) R03-M1-N13-J08
Task 3494 of 4096 (3,0,3,1,0,6) R03-M1-N13-J08
Task 3495 of 4096 (3,0,3,1,0,7) R03-M1-N13-J08
Task 3496 of 4096 (3,0,3,1,0,8) R03-M1-N13-J08
Task 3497 of 4096 (3,0,3,1,0,9) R03-M1-N13-J08
Task 3498 of 4096 (3,0,3,1,0,10) R03-M1-N13-J08
Task 3499 of 4096 (3,0,3,1,0,11) R03-M1-N13-J08
Task 3500 of 4096 (3,0,3,1,0,12) R03-M1-N13-J08
Task 3501 of 4096 (3,0,3,1,0,13) R03-M1-N13-J08
Task 3502 of 4096 (3,0,3,1,0,14) R03-M1-N13-J08
Task 3503 of 4096 (3,0,3,1,0,15) R03-M1-N13-J08
Task 3504 of 4096 (3,0,3,1,1,0) R03-M1-N13-J15
Task 3505 of 4096 (3,0,3,1,1,1) R03-M1-N13-J15
Task 3506 of 4096 (3,0,3,1,1,2) R03-M1-N13-J15
Task 3507 of 4096 (3,0,3,1,1,3) R03-M1-N13-J15
Task 3508 of 4096 (3,0,3,1,1,4) R03-M1-N13-J15
Task 3509 of 4096 (3,0,3,1,1,5) R03-M1-N13-J15
Task 3510 of 4096 (3,0,3,1,1,6) R03-M1-N13-J15
Task 3511 of 4096 (3,0,3,1,1,7) R03-M1-N13-J15
Task 3512 of 4096 (3,0,3,1,1,8) R03-M1-N13-J15
Task 3513 of 4096 (3,0,3,1,1,9) R03-M1-N13-J15
Task 3514 of 4096 (3,0,3,1,1,10) R03-M1-N13-J15
Task 3515 of 4096 (3,0,3,1,1,11) R03-M1-N13-J15
Task 3516 of 4096 (3,0,3,1,1,12) R03-M1-N13-J15
Task 3517 of 4096 (3,0,3,1,1,13) R03-M1-N13-J15
Task 3518 of 4096 (3,0,3,1,1,14) R03-M1-N13-J15
Task 3519 of 4096 (3,0,3,1,1,15) R03-M1-N13-J15
Task 3520 of 4096 (3,0,3,2,0,0) R03-M1-N15-J08
Task 3521 of 4096 (3,0,3,2,0,1) R03-M1-N15-J08
Task 3522 of 4096 (3,0,3,2,0,2) R03-M1-N15-J08
Task 3523 of 4096 (3,0,3,2,0,3) R03-M1-N15-J08
Task 3524 of 4096 (3,0,3,2,0,4) R03-M1-N15-J08
Task 3525 of 4096 (3,0,3,2,0,5) R03-M1-N15-J08
Task 3526 of 4096 (3,0,3,2,0,6) R03-M1-N15-J08
Task 3527 of 4096 (3,0,3,2,0,7) R03-M1-N15-J08
Task 3528 of 4096 (3,0,3,2,0,8) R03-M1-N15-J08
Task 3529 of 4096 (3,0,3,2,0,9) R03-M1-N15-J08
Task 3530 of 4096 (3,0,3,2,0,10) R03-M1-N15-J08
Task 3531 of 4096 (3,0,3,2,0,11) R03-M1-N15-J08
Task 3532 of 4096 (3,0,3,2,0,12) R03-M1-N15-J08
Task 3533 of 4096 (3,0,3,2,0,13) R03-M1-N15-J08
Task 3534 of 4096 (3,0,3,2,0,14) R03-M1-N15-J08
Task 3535 of 4096 (3,0,3,2,0,15) R03-M1-N15-J08
Task 3536 of 4096 (3,0,3,2,1,0) R03-M1-N15-J15
Task 3537 of 4096 (3,0,3,2,1,1) R03-M1-N15-J15
Task 3538 of 4096 (3,0,3,2,1,2) R03-M1-N15-J15
Task 3539 of 4096 (3,0,3,2,1,3) R03-M1-N15-J15
Task 3540 of 4096 (3,0,3,2,1,4) R03-M1-N15-J15
Task 3541 of 4096 (3,0,3,2,1,5) R03-M1-N15-J15
Task 3542 of 4096 (3,0,3,2,1,6) R03-M1-N15-J15
Task 3543 of 4096 (3,0,3,2,1,7) R03-M1-N15-J15
Task 3544 of 4096 (3,0,3,2,1,8) R03-M1-N15-J15
Task 3545 of 4096 (3,0,3,2,1,9) R03-M1-N15-J15
Task 3546 of 4096 (3,0,3,2,1,10) R03-M1-N15-J15
Task 3547 of 4096 (3,0,3,2,1,11) R03-M1-N15-J15
Task 3548 of 4096 (3,0,3,2,1,12) R03-M1-N15-J15
Task 3549 of 4096 (3,0,3,2,1,13) R03-M1-N15-J15
Task 3550 of 4096 (3,0,3,2,1,14) R03-M1-N15-J15
Task 3551 of 4096 (3,0,3,2,1,15) R03-M1-N15-J15
Task 3552 of 4096 (3,0,3,3,0,0) R03-M1-N15-J04
Task 3553 of 4096 (3,0,3,3,0,1) R03-M1-N15-J04
Task 3554 of 4096 (3,0,3,3,0,2) R03-M1-N15-J04
Task 3555 of 4096 (3,0,3,3,0,3) R03-M1-N15-J04
Task 3556 of 4096 (3,0,3,3,0,4) R03-M1-N15-J04
Task 3557 of 4096 (3,0,3,3,0,5) R03-M1-N15-J04
Task 3558 of 4096 (3,0,3,3,0,6) R03-M1-N15-J04
Task 3559 of 4096 (3,0,3,3,0,7) R03-M1-N15-J04
Task 3560 of 4096 (3,0,3,3,0,8) R03-M1-N15-J04
Task 3561 of 4096 (3,0,3,3,0,9) R03-M1-N15-J04
Task 3562 of 4096 (3,0,3,3,0,10) R03-M1-N15-J04
Task 3563 of 4096 (3,0,3,3,0,11) R03-M1-N15-J04
Task 3564 of 4096 (3,0,3,3,0,12) R03-M1-N15-J04
Task 3565 of 4096 (3,0,3,3,0,13) R03-M1-N15-J04
Task 3566 of 4096 (3,0,3,3,0,14) R03-M1-N15-J04
Task 3567 of 4096 (3,0,3,3,0,15) R03-M1-N15-J04
Task 3568 of 4096 (3,0,3,3,1,0) R03-M1-N15-J03
Task 3569 of 4096 (3,0,3,3,1,1) R03-M1-N15-J03
Task 3570 of 4096 (3,0,3,3,1,2) R03-M1-N15-J03
Task 3571 of 4096 (3,0,3,3,1,3) R03-M1-N15-J03
Task 3572 of 4096 (3,0,3,3,1,4) R03-M1-N15-J03
Task 3573 of 4096 (3,0,3,3,1,5) R03-M1-N15-J03
Task 3574 of 4096 (3,0,3,3,1,6) R03-M1-N15-J03
Task 3575 of 4096 (3,0,3,3,1,7) R03-M1-N15-J03
Task 3576 of 4096 (3,0,3,3,1,8) R03-M1-N15-J03
Task 3577 of 4096 (3,0,3,3,1,9) R03-M1-N15-J03
Task 3578 of 4096 (3,0,3,3,1,10) R03-M1-N15-J03
Task 3579 of 4096 (3,0,3,3,1,11) R03-M1-N15-J03
Task 3580 of 4096 (3,0,3,3,1,12) R03-M1-N15-J03
Task 3581 of 4096 (3,0,3,3,1,13) R03-M1-N15-J03
Task 3582 of 4096 (3,0,3,3,1,14) R03-M1-N15-J03
Task 3583 of 4096 (3,0,3,3,1,15) R03-M1-N15-J03
Task 3584 of 4096 (3,1,0,0,0,0) R03-M1-N12-J07
Task 3585 of 4096 (3,1,0,0,0,1) R03-M1-N12-J07
Task 3586 of 4096 (3,1,0,0,0,2) R03-M1-N12-J07
Task 3587 of 4096 (3,1,0,0,0,3) R03-M1-N12-J07
Task 3588 of 4096 (3,1,0,0,0,4) R03-M1-N12-J07
Task 3589 of 4096 (3,1,0,0,0,5) R03-M1-N12-J07
Task 3590 of 4096 (3,1,0,0,0,6) R03-M1-N12-J07
Task 3591 of 4096 (3,1,0,0,0,7) R03-M1-N12-J07
Task 3592 of 4096 (3,1,0,0,0,8) R03-M1-N12-J07
Task 3593 of 4096 (3,1,0,0,0,9) R03-M1-N12-J07
Task 3594 of 4096 (3,1,0,0,0,10) R03-M1-N12-J07
Task 3595 of 4096 (3,1,0,0,0,11) R03-M1-N12-J07
Task 3596 of 4096 (3,1,0,0,0,12) R03-M1-N12-J07
Task 3597 of 4096 (3,1,0,0,0,13) R03-M1-N12-J07
Task 3598 of 4096 (3,1,0,0,0,14) R03-M1-N12-J07
Task 3599 of 4096 (3,1,0,0,0,15) R03-M1-N12-J07
Task 3600 of 4096 (3,1,0,0,1,0) R03-M1-N12-J00
Task 3601 of 4096 (3,1,0,0,1,1) R03-M1-N12-J00
Task 3602 of 4096 (3,1,0,0,1,2) R03-M1-N12-J00
Task 3603 of 4096 (3,1,0,0,1,3) R03-M1-N12-J00
Task 3604 of 4096 (3,1,0,0,1,4) R03-M1-N12-J00
Task 3605 of 4096 (3,1,0,0,1,5) R03-M1-N12-J00
Task 3606 of 4096 (3,1,0,0,1,6) R03-M1-N12-J00
Task 3607 of 4096 (3,1,0,0,1,7) R03-M1-N12-J00
Task 3608 of 4096 (3,1,0,0,1,8) R03-M1-N12-J00
Task 3609 of 4096 (3,1,0,0,1,9) R03-M1-N12-J00
Task 3610 of 4096 (3,1,0,0,1,10) R03-M1-N12-J00
Task 3611 of 4096 (3,1,0,0,1,11) R03-M1-N12-J00
Task 3612 of 4096 (3,1,0,0,1,12) R03-M1-N12-J00
Task 3613 of 4096 (3,1,0,0,1,13) R03-M1-N12-J00
Task 3614 of 4096 (3,1,0,0,1,14) R03-M1-N12-J00
Task 3615 of 4096 (3,1,0,0,1,15) R03-M1-N12-J00
Task 3616 of 4096 (3,1,0,1,0,0) R03-M1-N12-J11
Task 3617 of 4096 (3,1,0,1,0,1) R03-M1-N12-J11
Task 3618 of 4096 (3,1,0,1,0,2) R03-M1-N12-J11
Task 3619 of 4096 (3,1,0,1,0,3) R03-M1-N12-J11
Task 3620 of 4096 (3,1,0,1,0,4) R03-M1-N12-J11
Task 3621 of 4096 (3,1,0,1,0,5) R03-M1-N12-J11
Task 3622 of 4096 (3,1,0,1,0,6) R03-M1-N12-J11
Task 3623 of 4096 (3,1,0,1,0,7) R03-M1-N12-J11
Task 3624 of 4096 (3,1,0,1,0,8) R03-M1-N12-J11
Task 3625 of 4096 (3,1,0,1,0,9) R03-M1-N12-J11
Task 3626 of 4096 (3,1,0,1,0,10) R03-M1-N12-J11
Task 3627 of 4096 (3,1,0,1,0,11) R03-M1-N12-J11
Task 3628 of 4096 (3,1,0,1,0,12) R03-M1-N12-J11
Task 3629 of 4096 (3,1,0,1,0,13) R03-M1-N12-J11
Task 3630 of 4096 (3,1,0,1,0,14) R03-M1-N12-J11
Task 3631 of 4096 (3,1,0,1,0,15) R03-M1-N12-J11
Task 3632 of 4096 (3,1,0,1,1,0) R03-M1-N12-J12
Task 3633 of 4096 (3,1,0,1,1,1) R03-M1-N12-J12
Task 3634 of 4096 (3,1,0,1,1,2) R03-M1-N12-J12
Task 3635 of 4096 (3,1,0,1,1,3) R03-M1-N12-J12
Task 3636 of 4096 (3,1,0,1,1,4) R03-M1-N12-J12
Task 3637 of 4096 (3,1,0,1,1,5) R03-M1-N12-J12
Task 3638 of 4096 (3,1,0,1,1,6) R03-M1-N12-J12
Task 3639 of 4096 (3,1,0,1,1,7) R03-M1-N12-J12
Task 3640 of 4096 (3,1,0,1,1,8) R03-M1-N12-J12
Task 3641 of 4096 (3,1,0,1,1,9) R03-M1-N12-J12
Task 3642 of 4096 (3,1,0,1,1,10) R03-M1-N12-J12
Task 3643 of 4096 (3,1,0,1,1,11) R03-M1-N12-J12
Task 3644 of 4096 (3,1,0,1,1,12) R03-M1-N12-J12
Task 3645 of 4096 (3,1,0,1,1,13) R03-M1-N12-J12
Task 3646 of 4096 (3,1,0,1,1,14) R03-M1-N12-J12
Task 3647 of 4096 (3,1,0,1,1,15) R03-M1-N12-J12
Task 3648 of 4096 (3,1,0,2,0,0) R03-M1-N14-J11
Task 3649 of 4096 (3,1,0,2,0,1) R03-M1-N14-J11
Task 3650 of 4096 (3,1,0,2,0,2) R03-M1-N14-J11
Task 3651 of 4096 (3,1,0,2,0,3) R03-M1-N14-J11
Task 3652 of 4096 (3,1,0,2,0,4) R03-M1-N14-J11
Task 3653 of 4096 (3,1,0,2,0,5) R03-M1-N14-J11
Task 3654 of 4096 (3,1,0,2,0,6) R03-M1-N14-J11
Task 3655 of 4096 (3,1,0,2,0,7) R03-M1-N14-J11
Task 3656 of 4096 (3,1,0,2,0,8) R03-M1-N14-J11
Task 3657 of 4096 (3,1,0,2,0,9) R03-M1-N14-J11
Task 3658 of 4096 (3,1,0,2,0,10) R03-M1-N14-J11
Task 3659 of 4096 (3,1,0,2,0,11) R03-M1-N14-J11
Task 3660 of 4096 (3,1,0,2,0,12) R03-M1-N14-J11
Task 3661 of 4096 (3,1,0,2,0,13) R03-M1-N14-J11
Task 3662 of 4096 (3,1,0,2,0,14) R03-M1-N14-J11
Task 3663 of 4096 (3,1,0,2,0,15) R03-M1-N14-J11
Task 3664 of 4096 (3,1,0,2,1,0) R03-M1-N14-J12
Task 3665 of 4096 (3,1,0,2,1,1) R03-M1-N14-J12
Task 3666 of 4096 (3,1,0,2,1,2) R03-M1-N14-J12
Task 3667 of 4096 (3,1,0,2,1,3) R03-M1-N14-J12
Task 3668 of 4096 (3,1,0,2,1,4) R03-M1-N14-J12
Task 3669 of 4096 (3,1,0,2,1,5) R03-M1-N14-J12
Task 3670 of 4096 (3,1,0,2,1,6) R03-M1-N14-J12
Task 3671 of 4096 (3,1,0,2,1,7) R03-M1-N14-J12
Task 3672 of 4096 (3,1,0,2,1,8) R03-M1-N14-J12
Task 3673 of 4096 (3,1,0,2,1,9) R03-M1-N14-J12
Task 3674 of 4096 (3,1,0,2,1,10) R03-M1-N14-J12
Task 3675 of 4096 (3,1,0,2,1,11) R03-M1-N14-J12
Task 3676 of 4096 (3,1,0,2,1,12) R03-M1-N14-J12
Task 3677 of 4096 (3,1,0,2,1,13) R03-M1-N14-J12
Task 3678 of 4096 (3,1,0,2,1,14) R03-M1-N14-J12
Task 3679 of 4096 (3,1,0,2,1,15) R03-M1-N14-J12
Task 3680 of 4096 (3,1,0,3,0,0) R03-M1-N14-J07
Task 3681 of 4096 (3,1,0,3,0,1) R03-M1-N14-J07
Task 3682 of 4096 (3,1,0,3,0,2) R03-M1-N14-J07
Task 3683 of 4096 (3,1,0,3,0,3) R03-M1-N14-J07
Task 3684 of 4096 (3,1,0,3,0,4) R03-M1-N14-J07
Task 3685 of 4096 (3,1,0,3,0,5) R03-M1-N14-J07
Task 3686 of 4096 (3,1,0,3,0,6) R03-M1-N14-J07
Task 3687 of 4096 (3,1,0,3,0,7) R03-M1-N14-J07
Task 3688 of 4096 (3,1,0,3,0,8) R03-M1-N14-J07
Task 3689 of 4096 (3,1,0,3,0,9) R03-M1-N14-J07
Task 3690 of 4096 (3,1,0,3,0,10) R03-M1-N14-J07
Task 3691 of 4096 (3,1,0,3,0,11) R03-M1-N14-J07
Task 3692 of 4096 (3,1,0,3,0,12) R03-M1-N14-J07
Task 3693 of 4096 (3,1,0,3,0,13) R03-M1-N14-J07
Task 3694 of 4096 (3,1,0,3,0,14) R03-M1-N14-J07
Task 3695 of 4096 (3,1,0,3,0,15) R03-M1-N14-J07
Task 3696 of 4096 (3,1,0,3,1,0) R03-M1-N14-J00
Task 3697 of 4096 (3,1,0,3,1,1) R03-M1-N14-J00
Task 3698 of 4096 (3,1,0,3,1,2) R03-M1-N14-J00
Task 3699 of 4096 (3,1,0,3,1,3) R03-M1-N14-J00
Task 3700 of 4096 (3,1,0,3,1,4) R03-M1-N14-J00
Task 3701 of 4096 (3,1,0,3,1,5) R03-M1-N14-J00
Task 3702 of 4096 (3,1,0,3,1,6) R03-M1-N14-J00
Task 3703 of 4096 (3,1,0,3,1,7) R03-M1-N14-J00
Task 3704 of 4096 (3,1,0,3,1,8) R03-M1-N14-J00
Task 3705 of 4096 (3,1,0,3,1,9) R03-M1-N14-J00
Task 3706 of 4096 (3,1,0,3,1,10) R03-M1-N14-J00
Task 3707 of 4096 (3,1,0,3,1,11) R03-M1-N14-J00
Task 3708 of 4096 (3,1,0,3,1,12) R03-M1-N14-J00
Task 3709 of 4096 (3,1,0,3,1,13) R03-M1-N14-J00
Task 3710 of 4096 (3,1,0,3,1,14) R03-M1-N14-J00
Task 3711 of 4096 (3,1,0,3,1,15) R03-M1-N14-J00
Task 3712 of 4096 (3,1,1,0,0,0) R03-M1-N12-J06
Task 3713 of 4096 (3,1,1,0,0,1) R03-M1-N12-J06
Task 3714 of 4096 (3,1,1,0,0,2) R03-M1-N12-J06
Task 3715 of 4096 (3,1,1,0,0,3) R03-M1-N12-J06
Task 3716 of 4096 (3,1,1,0,0,4) R03-M1-N12-J06
Task 3717 of 4096 (3,1,1,0,0,5) R03-M1-N12-J06
Task 3718 of 4096 (3,1,1,0,0,6) R03-M1-N12-J06
Task 3719 of 4096 (3,1,1,0,0,7) R03-M1-N12-J06
Task 3720 of 4096 (3,1,1,0,0,8) R03-M1-N12-J06
Task 3721 of 4096 (3,1,1,0,0,9) R03-M1-N12-J06
Task 3722 of 4096 (3,1,1,0,0,10) R03-M1-N12-J06
Task 3723 of 4096 (3,1,1,0,0,11) R03-M1-N12-J06
Task 3724 of 4096 (3,1,1,0,0,12) R03-M1-N12-J06
Task 3725 of 4096 (3,1,1,0,0,13) R03-M1-N12-J06
Task 3726 of 4096 (3,1,1,0,0,14) R03-M1-N12-J06
Task 3727 of 4096 (3,1,1,0,0,15) R03-M1-N12-J06
Task 3728 of 4096 (3,1,1,0,1,0) R03-M1-N12-J01
Task 3729 of 4096 (3,1,1,0,1,1) R03-M1-N12-J01
Task 3730 of 4096 (3,1,1,0,1,2) R03-M1-N12-J01
Task 3731 of 4096 (3,1,1,0,1,3) R03-M1-N12-J01
Task 3732 of 4096 (3,1,1,0,1,4) R03-M1-N12-J01
Task 3733 of 4096 (3,1,1,0,1,5) R03-M1-N12-J01
Task 3734 of 4096 (3,1,1,0,1,6) R03-M1-N12-J01
Task 3735 of 4096 (3,1,1,0,1,7) R03-M1-N12-J01
Task 3736 of 4096 (3,1,1,0,1,8) R03-M1-N12-J01
Task 3737 of 4096 (3,1,1,0,1,9) R03-M1-N12-J01
Task 3738 of 4096 (3,1,1,0,1,10) R03-M1-N12-J01
Task 3739 of 4096 (3,1,1,0,1,11) R03-M1-N12-J01
Task 3740 of 4096 (3,1,1,0,1,12) R03-M1-N12-J01
Task 3741 of 4096 (3,1,1,0,1,13) R03-M1-N12-J01
Task 3742 of 4096 (3,1,1,0,1,14) R03-M1-N12-J01
Task 3743 of 4096 (3,1,1,0,1,15) R03-M1-N12-J01
Task 3744 of 4096 (3,1,1,1,0,0) R03-M1-N12-J10
Task 3745 of 4096 (3,1,1,1,0,1) R03-M1-N12-J10
Task 3746 of 4096 (3,1,1,1,0,2) R03-M1-N12-J10
Task 3747 of 4096 (3,1,1,1,0,3) R03-M1-N12-J10
Task 3748 of 4096 (3,1,1,1,0,4) R03-M1-N12-J10
Task 3749 of 4096 (3,1,1,1,0,5) R03-M1-N12-J10
Task 3750 of 4096 (3,1,1,1,0,6) R03-M1-N12-J10
Task 3751 of 4096 (3,1,1,1,0,7) R03-M1-N12-J10
Task 3752 of 4096 (3,1,1,1,0,8) R03-M1-N12-J10
Task 3753 of 4096 (3,1,1,1,0,9) R03-M1-N12-J10
Task 3754 of 4096 (3,1,1,1,0,10) R03-M1-N12-J10
Task 3755 of 4096 (3,1,1,1,0,11) R03-M1-N12-J10
Task 3756 of 4096 (3,1,1,1,0,12) R03-M1-N12-J10
Task 3757 of 4096 (3,1,1,1,0,13) R03-M1-N12-J10
Task 3758 of 4096 (3,1,1,1,0,14) R03-M1-N12-J10
Task 3759 of 4096 (3,1,1,1,0,15) R03-M1-N12-J10
Task 3760 of 4096 (3,1,1,1,1,0) R03-M1-N12-J13
Task 3761 of 4096 (3,1,1,1,1,1) R03-M1-N12-J13
Task 3762 of 4096 (3,1,1,1,1,2) R03-M1-N12-J13
Task 3763 of 4096 (3,1,1,1,1,3) R03-M1-N12-J13
Task 3764 of 4096 (3,1,1,1,1,4) R03-M1-N12-J13
Task 3765 of 4096 (3,1,1,1,1,5) R03-M1-N12-J13
Task 3766 of 4096 (3,1,1,1,1,6) R03-M1-N12-J13
Task 3767 of 4096 (3,1,1,1,1,7) R03-M1-N12-J13
Task 3768 of 4096 (3,1,1,1,1,8) R03-M1-N12-J13
Task 3769 of 4096 (3,1,1,1,1,9) R03-M1-N12-J13
Task 3770 of 4096 (3,1,1,1,1,10) R03-M1-N12-J13
Task 3771 of 4096 (3,1,1,1,1,11) R03-M1-N12-J13
Task 3772 of 4096 (3,1,1,1,1,12) R03-M1-N12-J13
Task 3773 of 4096 (3,1,1,1,1,13) R03-M1-N12-J13
Task 3774 of 4096 (3,1,1,1,1,14) R03-M1-N12-J13
Task 3775 of 4096 (3,1,1,1,1,15) R03-M1-N12-J13
Task 3776 of 4096 (3,1,1,2,0,0) R03-M1-N14-J10
Task 3777 of 4096 (3,1,1,2,0,1) R03-M1-N14-J10
Task 3778 of 4096 (3,1,1,2,0,2) R03-M1-N14-J10
Task 3779 of 4096 (3,1,1,2,0,3) R03-M1-N14-J10
Task 3780 of 4096 (3,1,1,2,0,4) R03-M1-N14-J10
Task 3781 of 4096 (3,1,1,2,0,5) R03-M1-N14-J10
Task 3782 of 4096 (3,1,1,2,0,6) R03-M1-N14-J10
Task 3783 of 4096 (3,1,1,2,0,7) R03-M1-N14-J10
Task 3784 of 4096 (3,1,1,2,0,8) R03-M1-N14-J10
Task 3785 of 4096 (3,1,1,2,0,9) R03-M1-N14-J10
Task 3786 of 4096 (3,1,1,2,0,10) R03-M1-N14-J10
Task 3787 of 4096 (3,1,1,2,0,11) R03-M1-N14-J10
Task 3788 of 4096 (3,1,1,2,0,12) R03-M1-N14-J10
Task 3789 of 4096 (3,1,1,2,0,13) R03-M1-N14-J10
Task 3790 of 4096 (3,1,1,2,0,14) R03-M1-N14-J10
Task 3791 of 4096 (3,1,1,2,0,15) R03-M1-N14-J10
Task 3792 of 4096 (3,1,1,2,1,0) R03-M1-N14-J13
Task 3793 of 4096 (3,1,1,2,1,1) R03-M1-N14-J13
Task 3794 of 4096 (3,1,1,2,1,2) R03-M1-N14-J13
Task 3795 of 4096 (3,1,1,2,1,3) R03-M1-N14-J13
Task 3796 of 4096 (3,1,1,2,1,4) R03-M1-N14-J13
Task 3797 of 4096 (3,1,1,2,1,5) R03-M1-N14-J13
Task 3798 of 4096 (3,1,1,2,1,6) R03-M1-N14-J13
Task 3799 of 4096 (3,1,1,2,1,7) R03-M1-N14-J13
Task 3800 of 4096 (3,1,1,2,1,8) R03-M1-N14-J13
Task 3801 of 4096 (3,1,1,2,1,9) R03-M1-N14-J13
Task 3802 of 4096 (3,1,1,2,1,10) R03-M1-N14-J13
Task 3803 of 4096 (3,1,1,2,1,11) R03-M1-N14-J13
Task 3804 of 4096 (3,1,1,2,1,12) R03-M1-N14-J13
Task 3805 of 4096 (3,1,1,2,1,13) R03-M1-N14-J13
Task 3806 of 4096 (3,1,1,2,1,14) R03-M1-N14-J13
Task 3807 of 4096 (3,1,1,2,1,15) R03-M1-N14-J13
Task 3808 of 4096 (3,1,1,3,0,0) R03-M1-N14-J06
Task 3809 of 4096 (3,1,1,3,0,1) R03-M1-N14-J06
Task 3810 of 4096 (3,1,1,3,0,2) R03-M1-N14-J06
Task 3811 of 4096 (3,1,1,3,0,3) R03-M1-N14-J06
Task 3812 of 4096 (3,1,1,3,0,4) R03-M1-N14-J06
Task 3813 of 4096 (3,1,1,3,0,5) R03-M1-N14-J06
Task 3814 of 4096 (3,1,1,3,0,6) R03-M1-N14-J06
Task 3815 of 4096 (3,1,1,3,0,7) R03-M1-N14-J06
Task 3816 of 4096 (3,1,1,3,0,8) R03-M1-N14-J06
Task 3817 of 4096 (3,1,1,3,0,9) R03-M1-N14-J06
Task 3818 of 4096 (3,1,1,3,0,10) R03-M1-N14-J06
Task 3819 of 4096 (3,1,1,3,0,11) R03-M1-N14-J06
Task 3820 of 4096 (3,1,1,3,0,12) R03-M1-N14-J06
Task 3821 of 4096 (3,1,1,3,0,13) R03-M1-N14-J06
Task 3822 of 4096 (3,1,1,3,0,14) R03-M1-N14-J06
Task 3823 of 4096 (3,1,1,3,0,15) R03-M1-N14-J06
Task 3824 of 4096 (3,1,1,3,1,0) R03-M1-N14-J01
Task 3825 of 4096 (3,1,1,3,1,1) R03-M1-N14-J01
Task 3826 of 4096 (3,1,1,3,1,2) R03-M1-N14-J01
Task 3827 of 4096 (3,1,1,3,1,3) R03-M1-N14-J01
Task 3828 of 4096 (3,1,1,3,1,4) R03-M1-N14-J01
Task 3829 of 4096 (3,1,1,3,1,5) R03-M1-N14-J01
Task 3830 of 4096 (3,1,1,3,1,6) R03-M1-N14-J01
Task 3831 of 4096 (3,1,1,3,1,7) R03-M1-N14-J01
Task 3832 of 4096 (3,1,1,3,1,8) R03-M1-N14-J01
Task 3833 of 4096 (3,1,1,3,1,9) R03-M1-N14-J01
Task 3834 of 4096 (3,1,1,3,1,10) R03-M1-N14-J01
Task 3835 of 4096 (3,1,1,3,1,11) R03-M1-N14-J01
Task 3836 of 4096 (3,1,1,3,1,12) R03-M1-N14-J01
Task 3837 of 4096 (3,1,1,3,1,13) R03-M1-N14-J01
Task 3838 of 4096 (3,1,1,3,1,14) R03-M1-N14-J01
Task 3839 of 4096 (3,1,1,3,1,15) R03-M1-N14-J01
Task 3840 of 4096 (3,1,2,0,0,0) R03-M1-N13-J06
Task 3841 of 4096 (3,1,2,0,0,1) R03-M1-N13-J06
Task 3842 of 4096 (3,1,2,0,0,2) R03-M1-N13-J06
Task 3843 of 4096 (3,1,2,0,0,3) R03-M1-N13-J06
Task 3844 of 4096 (3,1,2,0,0,4) R03-M1-N13-J06
Task 3845 of 4096 (3,1,2,0,0,5) R03-M1-N13-J06
Task 3846 of 4096 (3,1,2,0,0,6) R03-M1-N13-J06
Task 3847 of 4096 (3,1,2,0,0,7) R03-M1-N13-J06
Task 3848 of 4096 (3,1,2,0,0,8) R03-M1-N13-J06
Task 3849 of 4096 (3,1,2,0,0,9) R03-M1-N13-J06
Task 3850 of 4096 (3,1,2,0,0,10) R03-M1-N13-J06
Task 3851 of 4096 (3,1,2,0,0,11) R03-M1-N13-J06
Task 3852 of 4096 (3,1,2,0,0,12) R03-M1-N13-J06
Task 3853 of 4096 (3,1,2,0,0,13) R03-M1-N13-J06
Task 3854 of 4096 (3,1,2,0,0,14) R03-M1-N13-J06
Task 3855 of 4096 (3,1,2,0,0,15) R03-M1-N13-J06
Task 3856 of 4096 (3,1,2,0,1,0) R03-M1-N13-J01
Task 3857 of 4096 (3,1,2,0,1,1) R03-M1-N13-J01
Task 3858 of 4096 (3,1,2,0,1,2) R03-M1-N13-J01
Task 3859 of 4096 (3,1,2,0,1,3) R03-M1-N13-J01
Task 3860 of 4096 (3,1,2,0,1,4) R03-M1-N13-J01
Task 3861 of 4096 (3,1,2,0,1,5) R03-M1-N13-J01
Task 3862 of 4096 (3,1,2,0,1,6) R03-M1-N13-J01
Task 3863 of 4096 (3,1,2,0,1,7) R03-M1-N13-J01
Task 3864 of 4096 (3,1,2,0,1,8) R03-M1-N13-J01
Task 3865 of 4096 (3,1,2,0,1,9) R03-M1-N13-J01
Task 3866 of 4096 (3,1,2,0,1,10) R03-M1-N13-J01
Task 3867 of 4096 (3,1,2,0,1,11) R03-M1-N13-J01
Task 3868 of 4096 (3,1,2,0,1,12) R03-M1-N13-J01
Task 3869 of 4096 (3,1,2,0,1,13) R03-M1-N13-J01
Task 3870 of 4096 (3,1,2,0,1,14) R03-M1-N13-J01
Task 3871 of 4096 (3,1,2,0,1,15) R03-M1-N13-J01
Task 3872 of 4096 (3,1,2,1,0,0) R03-M1-N13-J10
Task 3873 of 4096 (3,1,2,1,0,1) R03-M1-N13-J10
Task 3874 of 4096 (3,1,2,1,0,2) R03-M1-N13-J10
Task 3875 of 4096 (3,1,2,1,0,3) R03-M1-N13-J10
Task 3876 of 4096 (3,1,2,1,0,4) R03-M1-N13-J10
Task 3877 of 4096 (3,1,2,1,0,5) R03-M1-N13-J10
Task 3878 of 4096 (3,1,2,1,0,6) R03-M1-N13-J10
Task 3879 of 4096 (3,1,2,1,0,7) R03-M1-N13-J10
Task 3880 of 4096 (3,1,2,1,0,8) R03-M1-N13-J10
Task 3881 of 4096 (3,1,2,1,0,9) R03-M1-N13-J10
Task 3882 of 4096 (3,1,2,1,0,10) R03-M1-N13-J10
Task 3883 of 4096 (3,1,2,1,0,11) R03-M1-N13-J10
Task 3884 of 4096 (3,1,2,1,0,12) R03-M1-N13-J10
Task 3885 of 4096 (3,1,2,1,0,13) R03-M1-N13-J10
Task 3886 of 4096 (3,1,2,1,0,14) R03-M1-N13-J10
Task 3887 of 4096 (3,1,2,1,0,15) R03-M1-N13-J10
Task 3888 of 4096 (3,1,2,1,1,0) R03-M1-N13-J13
Task 3889 of 4096 (3,1,2,1,1,1) R03-M1-N13-J13
Task 3890 of 4096 (3,1,2,1,1,2) R03-M1-N13-J13
Task 3891 of 4096 (3,1,2,1,1,3) R03-M1-N13-J13
Task 3892 of 4096 (3,1,2,1,1,4) R03-M1-N13-J13
Task 3893 of 4096 (3,1,2,1,1,5) R03-M1-N13-J13
Task 3894 of 4096 (3,1,2,1,1,6) R03-M1-N13-J13
Task 3895 of 4096 (3,1,2,1,1,7) R03-M1-N13-J13
Task 3896 of 4096 (3,1,2,1,1,8) R03-M1-N13-J13
Task 3897 of 4096 (3,1,2,1,1,9) R03-M1-N13-J13
Task 3898 of 4096 (3,1,2,1,1,10) R03-M1-N13-J13
Task 3899 of 4096 (3,1,2,1,1,11) R03-M1-N13-J13
Task 3900 of 4096 (3,1,2,1,1,12) R03-M1-N13-J13
Task 3901 of 4096 (3,1,2,1,1,13) R03-M1-N13-J13
Task 3902 of 4096 (3,1,2,1,1,14) R03-M1-N13-J13
Task 3903 of 4096 (3,1,2,1,1,15) R03-M1-N13-J13
Task 3904 of 4096 (3,1,2,2,0,0) R03-M1-N15-J10
Task 3905 of 4096 (3,1,2,2,0,1) R03-M1-N15-J10
Task 3906 of 4096 (3,1,2,2,0,2) R03-M1-N15-J10
Task 3907 of 4096 (3,1,2,2,0,3) R03-M1-N15-J10
Task 3908 of 4096 (3,1,2,2,0,4) R03-M1-N15-J10
Task 3909 of 4096 (3,1,2,2,0,5) R03-M1-N15-J10
Task 3910 of 4096 (3,1,2,2,0,6) R03-M1-N15-J10
Task 3911 of 4096 (3,1,2,2,0,7) R03-M1-N15-J10
Task 3912 of 4096 (3,1,2,2,0,8) R03-M1-N15-J10
Task 3913 of 4096 (3,1,2,2,0,9) R03-M1-N15-J10
Task 3914 of 4096 (3,1,2,2,0,10) R03-M1-N15-J10
Task 3915 of 4096 (3,1,2,2,0,11) R03-M1-N15-J10
Task 3916 of 4096 (3,1,2,2,0,12) R03-M1-N15-J10
Task 3917 of 4096 (3,1,2,2,0,13) R03-M1-N15-J10
Task 3918 of 4096 (3,1,2,2,0,14) R03-M1-N15-J10
Task 3919 of 4096 (3,1,2,2,0,15) R03-M1-N15-J10
Task 3920 of 4096 (3,1,2,2,1,0) R03-M1-N15-J13
Task 3921 of 4096 (3,1,2,2,1,1) R03-M1-N15-J13
Task 3922 of 4096 (3,1,2,2,1,2) R03-M1-N15-J13
Task 3923 of 4096 (3,1,2,2,1,3) R03-M1-N15-J13
Task 3924 of 4096 (3,1,2,2,1,4) R03-M1-N15-J13
Task 3925 of 4096 (3,1,2,2,1,5) R03-M1-N15-J13
Task 3926 of 4096 (3,1,2,2,1,6) R03-M1-N15-J13
Task 3927 of 4096 (3,1,2,2,1,7) R03-M1-N15-J13
Task 3928 of 4096 (3,1,2,2,1,8) R03-M1-N15-J13
Task 3929 of 4096 (3,1,2,2,1,9) R03-M1-N15-J13
Task 3930 of 4096 (3,1,2,2,1,10) R03-M1-N15-J13
Task 3931 of 4096 (3,1,2,2,1,11) R03-M1-N15-J13
Task 3932 of 4096 (3,1,2,2,1,12) R03-M1-N15-J13
Task 3933 of 4096 (3,1,2,2,1,13) R03-M1-N15-J13
Task 3934 of 4096 (3,1,2,2,1,14) R03-M1-N15-J13
Task 3935 of 4096 (3,1,2,2,1,15) R03-M1-N15-J13
Task 3936 of 4096 (3,1,2,3,0,0) R03-M1-N15-J06
Task 3937 of 4096 (3,1,2,3,0,1) R03-M1-N15-J06
Task 3938 of 4096 (3,1,2,3,0,2) R03-M1-N15-J06
Task 3939 of 4096 (3,1,2,3,0,3) R03-M1-N15-J06
Task 3940 of 4096 (3,1,2,3,0,4) R03-M1-N15-J06
Task 3941 of 4096 (3,1,2,3,0,5) R03-M1-N15-J06
Task 3942 of 4096 (3,1,2,3,0,6) R03-M1-N15-J06
Task 3943 of 4096 (3,1,2,3,0,7) R03-M1-N15-J06
Task 3944 of 4096 (3,1,2,3,0,8) R03-M1-N15-J06
Task 3945 of 4096 (3,1,2,3,0,9) R03-M1-N15-J06
Task 3946 of 4096 (3,1,2,3,0,10) R03-M1-N15-J06
Task 3947 of 4096 (3,1,2,3,0,11) R03-M1-N15-J06
Task 3948 of 4096 (3,1,2,3,0,12) R03-M1-N15-J06
Task 3949 of 4096 (3,1,2,3,0,13) R03-M1-N15-J06
Task 3950 of 4096 (3,1,2,3,0,14) R03-M1-N15-J06
Task 3951 of 4096 (3,1,2,3,0,15) R03-M1-N15-J06
Task 3952 of 4096 (3,1,2,3,1,0) R03-M1-N15-J01
Task 3953 of 4096 (3,1,2,3,1,1) R03-M1-N15-J01
Task 3954 of 4096 (3,1,2,3,1,2) R03-M1-N15-J01
Task 3955 of 4096 (3,1,2,3,1,3) R03-M1-N15-J01
Task 3956 of 4096 (3,1,2,3,1,4) R03-M1-N15-J01
Task 3957 of 4096 (3,1,2,3,1,5) R03-M1-N15-J01
Task 3958 of 4096 (3,1,2,3,1,6) R03-M1-N15-J01
Task 3959 of 4096 (3,1,2,3,1,7) R03-M1-N15-J01
Task 3960 of 4096 (3,1,2,3,1,8) R03-M1-N15-J01
Task 3961 of 4096 (3,1,2,3,1,9) R03-M1-N15-J01
Task 3962 of 4096 (3,1,2,3,1,10) R03-M1-N15-J01
Task 3963 of 4096 (3,1,2,3,1,11) R03-M1-N15-J01
Task 3964 of 4096 (3,1,2,3,1,12) R03-M1-N15-J01
Task 3965 of 4096 (3,1,2,3,1,13) R03-M1-N15-J01
Task 3966 of 4096 (3,1,2,3,1,14) R03-M1-N15-J01
Task 3967 of 4096 (3,1,2,3,1,15) R03-M1-N15-J01
Task 3968 of 4096 (3,1,3,0,0,0) R03-M1-N13-J07
Task 3969 of 4096 (3,1,3,0,0,1) R03-M1-N13-J07
Task 3970 of 4096 (3,1,3,0,0,2) R03-M1-N13-J07
Task 3971 of 4096 (3,1,3,0,0,3) R03-M1-N13-J07
Task 3972 of 4096 (3,1,3,0,0,4) R03-M1-N13-J07
Task 3973 of 4096 (3,1,3,0,0,5) R03-M1-N13-J07
Task 3974 of 4096 (3,1,3,0,0,6) R03-M1-N13-J07
Task 3975 of 4096 (3,1,3,0,0,7) R03-M1-N13-J07
Task 3976 of 4096 (3,1,3,0,0,8) R03-M1-N13-J07
Task 3977 of 4096 (3,1,3,0,0,9) R03-M1-N13-J07
Task 3978 of 4096 (3,1,3,0,0,10) R03-M1-N13-J07
Task 3979 of 4096 (3,1,3,0,0,11) R03-M1-N13-J07
Task 3980 of 4096 (3,1,3,0,0,12) R03-M1-N13-J07
Task 3981 of 4096 (3,1,3,0,0,13) R03-M1-N13-J07
Task 3982 of 4096 (3,1,3,0,0,14) R03-M1-N13-J07
Task 3983 of 4096 (3,1,3,0,0,15) R03-M1-N13-J07
Task 3984 of 4096 (3,1,3,0,1,0) R03-M1-N13-J00
Task 3985 of 4096 (3,1,3,0,1,1) R03-M1-N13-J00
Task 3986 of 4096 (3,1,3,0,1,2) R03-M1-N13-J00
Task 3987 of 4096 (3,1,3,0,1,3) R03-M1-N13-J00
Task 3988 of 4096 (3,1,3,0,1,4) R03-M1-N13-J00
Task 3989 of 4096 (3,1,3,0,1,5) R03-M1-N13-J00
Task 3990 of 4096 (3,1,3,0,1,6) R03-M1-N13-J00
Task 3991 of 4096 (3,1,3,0,1,7) R03-M1-N13-J00
Task 3992 of 4096 (3,1,3,0,1,8) R03-M1-N13-J00
Task 3993 of 4096 (3,1,3,0,1,9) R03-M1-N13-J00
Task 3994 of 4096 (3,1,3,0,1,10) R03-M1-N13-J00
Task 3995 of 4096 (3,1,3,0,1,11) R03-M1-N13-J00
Task 3996 of 4096 (3,1,3,0,1,12) R03-M1-N13-J00
Task 3997 of 4096 (3,1,3,0,1,13) R03-M1-N13-J00
Task 3998 of 4096 (3,1,3,0,1,14) R03-M1-N13-J00
Task 3999 of 4096 (3,1,3,0,1,15) R03-M1-N13-J00
Task 4000 of 4096 (3,1,3,1,0,0) R03-M1-N13-J11
Task 4001 of 4096 (3,1,3,1,0,1) R03-M1-N13-J11
Task 4002 of 4096 (3,1,3,1,0,2) R03-M1-N13-J11
Task 4003 of 4096 (3,1,3,1,0,3) R03-M1-N13-J11
Task 4004 of 4096 (3,1,3,1,0,4) R03-M1-N13-J11
Task 4005 of 4096 (3,1,3,1,0,5) R03-M1-N13-J11
Task 4006 of 4096 (3,1,3,1,0,6) R03-M1-N13-J11
Task 4007 of 4096 (3,1,3,1,0,7) R03-M1-N13-J11
Task 4008 of 4096 (3,1,3,1,0,8) R03-M1-N13-J11
Task 4009 of 4096 (3,1,3,1,0,9) R03-M1-N13-J11
Task 4010 of 4096 (3,1,3,1,0,10) R03-M1-N13-J11
Task 4011 of 4096 (3,1,3,1,0,11) R03-M1-N13-J11
Task 4012 of 4096 (3,1,3,1,0,12) R03-M1-N13-J11
Task 4013 of 4096 (3,1,3,1,0,13) R03-M1-N13-J11
Task 4014 of 4096 (3,1,3,1,0,14) R03-M1-N13-J11
Task 4015 of 4096 (3,1,3,1,0,15) R03-M1-N13-J11
Task 4016 of 4096 (3,1,3,1,1,0) R03-M1-N13-J12
Task 4017 of 4096 (3,1,3,1,1,1) R03-M1-N13-J12
Task 4018 of 4096 (3,1,3,1,1,2) R03-M1-N13-J12
Task 4019 of 4096 (3,1,3,1,1,3) R03-M1-N13-J12
Task 4020 of 4096 (3,1,3,1,1,4) R03-M1-N13-J12
Task 4021 of 4096 (3,1,3,1,1,5) R03-M1-N13-J12
Task 4022 of 4096 (3,1,3,1,1,6) R03-M1-N13-J12
Task 4023 of 4096 (3,1,3,1,1,7) R03-M1-N13-J12
Task 4024 of 4096 (3,1,3,1,1,8) R03-M1-N13-J12
Task 4025 of 4096 (3,1,3,1,1,9) R03-M1-N13-J12
Task 4026 of 4096 (3,1,3,1,1,10) R03-M1-N13-J12
Task 4027 of 4096 (3,1,3,1,1,11) R03-M1-N13-J12
Task 4028 of 4096 (3,1,3,1,1,12) R03-M1-N13-J12
Task 4029 of 4096 (3,1,3,1,1,13) R03-M1-N13-J12
Task 4030 of 4096 (3,1,3,1,1,14) R03-M1-N13-J12
Task 4031 of 4096 (3,1,3,1,1,15) R03-M1-N13-J12
Task 4032 of 4096 (3,1,3,2,0,0) R03-M1-N15-J11
Task 4033 of 4096 (3,1,3,2,0,1) R03-M1-N15-J11
Task 4034 of 4096 (3,1,3,2,0,2) R03-M1-N15-J11
Task 4035 of 4096 (3,1,3,2,0,3) R03-M1-N15-J11
Task 4036 of 4096 (3,1,3,2,0,4) R03-M1-N15-J11
Task 4037 of 4096 (3,1,3,2,0,5) R03-M1-N15-J11
Task 4038 of 4096 (3,1,3,2,0,6) R03-M1-N15-J11
Task 4039 of 4096 (3,1,3,2,0,7) R03-M1-N15-J11
Task 4040 of 4096 (3,1,3,2,0,8) R03-M1-N15-J11
Task 4041 of 4096 (3,1,3,2,0,9) R03-M1-N15-J11
Task 4042 of 4096 (3,1,3,2,0,10) R03-M1-N15-J11
Task 4043 of 4096 (3,1,3,2,0,11) R03-M1-N15-J11
Task 4044 of 4096 (3,1,3,2,0,12) R03-M1-N15-J11
Task 4045 of 4096 (3,1,3,2,0,13) R03-M1-N15-J11
Task 4046 of 4096 (3,1,3,2,0,14) R03-M1-N15-J11
Task 4047 of 4096 (3,1,3,2,0,15) R03-M1-N15-J11
Task 4048 of 4096 (3,1,3,2,1,0) R03-M1-N15-J12
Task 4049 of 4096 (3,1,3,2,1,1) R03-M1-N15-J12
Task 4050 of 4096 (3,1,3,2,1,2) R03-M1-N15-J12
Task 4051 of 4096 (3,1,3,2,1,3) R03-M1-N15-J12
Task 4052 of 4096 (3,1,3,2,1,4) R03-M1-N15-J12
Task 4053 of 4096 (3,1,3,2,1,5) R03-M1-N15-J12
Task 4054 of 4096 (3,1,3,2,1,6) R03-M1-N15-J12
Task 4055 of 4096 (3,1,3,2,1,7) R03-M1-N15-J12
Task 4056 of 4096 (3,1,3,2,1,8) R03-M1-N15-J12
Task 4057 of 4096 (3,1,3,2,1,9) R03-M1-N15-J12
Task 4058 of 4096 (3,1,3,2,1,10) R03-M1-N15-J12
Task 4059 of 4096 (3,1,3,2,1,11) R03-M1-N15-J12
Task 4060 of 4096 (3,1,3,2,1,12) R03-M1-N15-J12
Task 4061 of 4096 (3,1,3,2,1,13) R03-M1-N15-J12
Task 4062 of 4096 (3,1,3,2,1,14) R03-M1-N15-J12
Task 4063 of 4096 (3,1,3,2,1,15) R03-M1-N15-J12
Task 4064 of 4096 (3,1,3,3,0,0) R03-M1-N15-J07
Task 4065 of 4096 (3,1,3,3,0,1) R03-M1-N15-J07
Task 4066 of 4096 (3,1,3,3,0,2) R03-M1-N15-J07
Task 4067 of 4096 (3,1,3,3,0,3) R03-M1-N15-J07
Task 4068 of 4096 (3,1,3,3,0,4) R03-M1-N15-J07
Task 4069 of 4096 (3,1,3,3,0,5) R03-M1-N15-J07
Task 4070 of 4096 (3,1,3,3,0,6) R03-M1-N15-J07
Task 4071 of 4096 (3,1,3,3,0,7) R03-M1-N15-J07
Task 4072 of 4096 (3,1,3,3,0,8) R03-M1-N15-J07
Task 4073 of 4096 (3,1,3,3,0,9) R03-M1-N15-J07
Task 4074 of 4096 (3,1,3,3,0,10) R03-M1-N15-J07
Task 4075 of 4096 (3,1,3,3,0,11) R03-M1-N15-J07
Task 4076 of 4096 (3,1,3,3,0,12) R03-M1-N15-J07
Task 4077 of 4096 (3,1,3,3,0,13) R03-M1-N15-J07
Task 4078 of 4096 (3,1,3,3,0,14) R03-M1-N15-J07
Task 4079 of 4096 (3,1,3,3,0,15) R03-M1-N15-J07
Task 4080 of 4096 (3,1,3,3,1,0) R03-M1-N15-J00
Task 4081 of 4096 (3,1,3,3,1,1) R03-M1-N15-J00
Task 4082 of 4096 (3,1,3,3,1,2) R03-M1-N15-J00
Task 4083 of 4096 (3,1,3,3,1,3) R03-M1-N15-J00
Task 4084 of 4096 (3,1,3,3,1,4) R03-M1-N15-J00
Task 4085 of 4096 (3,1,3,3,1,5) R03-M1-N15-J00
Task 4086 of 4096 (3,1,3,3,1,6) R03-M1-N15-J00
Task 4087 of 4096 (3,1,3,3,1,7) R03-M1-N15-J00
Task 4088 of 4096 (3,1,3,3,1,8) R03-M1-N15-J00
Task 4089 of 4096 (3,1,3,3,1,9) R03-M1-N15-J00
Task 4090 of 4096 (3,1,3,3,1,10) R03-M1-N15-J00
Task 4091 of 4096 (3,1,3,3,1,11) R03-M1-N15-J00
Task 4092 of 4096 (3,1,3,3,1,12) R03-M1-N15-J00
Task 4093 of 4096 (3,1,3,3,1,13) R03-M1-N15-J00
Task 4094 of 4096 (3,1,3,3,1,14) R03-M1-N15-J00
Task 4095 of 4096 (3,1,3,3,1,15) R03-M1-N15-J00
[qbox] set nrowmax 256
[qbox] load md164.xml
LoadCmd: loading from md164.xml
SampleReader: reading from file md164.xml size: 1595163516
XMLGFPreprocessor: read time: 0.6844
XMLGFPreprocessor: local read rate: 0.5427 MB/s aggregate read rate: 2223 MB/s
XMLGFPreprocessor: tag fixing time: 0.02277
XMLGFPreprocessor: segment definition time: 7.651
XMLGFPreprocessor: boundary adjustment time: 1.706
XMLGFPreprocessor: transcoding time: 0.004943
XMLGFPreprocessor: byte swapping time: 0.0005751
XMLGFPreprocessor: data redistribution time: 0.1292
XMLGFPreprocessor: XML compacting time: 0.01483
XMLGFPreprocessor: total time: 10.42
xmlcontent.size(): 73356
Starting XML parsing
SpeciesHandler: found href in species definition
name=oxygen href=/home/agaiduk/pp/O_HSCV_PBE-1.0.xml
species oxygen:
PSGen-1.6.0 pseudopotential: HSCV O xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:11Z
psgen arguments:
-element O -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=0.8
O
8
16
6
1
1
0
0
0.01
Kleinman-Bylander potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=hydrogen href=/home/agaiduk/pp/D_HSCV_PBE-1.0.xml
species hydrogen:
HSCV PBE Deuterium
PSGen-1.6.0 pseudopotential: HSCV H xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:24:50Z
psgen arguments:
-element H -xc PBE -smooth_v -bound l=0:rc=0.5
D
1
2.014000
1
0
0
0
0.000000
0.010000
local potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=sodium href=/home/agaiduk/pp/Na_TM_PBE.xml
species sodium:
TM PBE
Na
11
22.990000
7
2
2
0
0.000000
0.010000
Kleinman-Bylander potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=chlorine href=/home/agaiduk/pp/Cl_HSCV_PBE-1.0.xml
species chlorine:
PSGen-1.6.0 pseudopotential: HSCV Cl xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:48Z
psgen arguments:
-element Cl -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=1.0
-scat l=2:rc=1.2
Cl
17
35.452700
7
2
2
0
0.000000
0.010000
Kleinman-Bylander potential
rcps_ = 1.500000
WavefunctionHandler::startElement: wavefunction nspin=1 nel=430 nempty=0
kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=215
WavefunctionHandler::startElement: wavefunction_velocity nspin=1 nel=430 nempty=0
kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=215
XML parsing done
wavefunction was read
wavefunction velocity was read
SampleReader::readSample: grid nx,ny,nz=70 70 70
SampleReader: read time: 12.821856 s
[qbox] reset_vcm
[qbox] set ecut 85
[qbox] set xc PBE0
[qbox] set btHF 0.02
[qbox] set blHF 2 2 2
[qbox] set wf_dyn PSDA
[qbox] set ecutprec 5
[qbox] set wf_diag MLWF
[qbox]
[qbox] set atoms_dyn MD
[qbox] set dt 15
[qbox]
[qbox] run 100 8
EnergyFunctional: np0v,np1v,np2v: 140 140 140
EnergyFunctional: vft->np012(): 2744000
|
reciprocal lattice vectors
0.283174 0.000000 0.000000
0.000000 0.283174 0.000000
0.000000 0.000000 0.283174
kpoint: 0.000000 0.000000 0.000000 weight: 1.000000
sdcontext: 256x16
basis size: 72247
c dimensions: 81152x215 (317x14 blocks)
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1567333694
ExchangeOperator: bisection time: 2.655 s
total exchange = -52.3778156284 (a.u.)
total exchange computation time: 3.0424859524 s
678.88900243
-1084.06263138
89.86030872
-388.86760546
-174.83069639
78.44456412
551.60419304
0.00000000
-931.38943771
3.95395360 -31.61971736 -3.82244846
-0.00032334 0.00021516 -0.00003013
0.00064030 0.03275701 0.00635483
-11.10734727 2.27081158 -9.31595870
-0.00008387 -0.00010697 0.00000901
-0.02450435 -0.01157285 -0.02933128
-37.12889888 1.83715823 3.79576056
-0.00000360 0.00009109 0.00027801
0.01285586 0.03134148 -0.00527983
-7.73859935 -3.53533580 3.09581591
-0.00011226 -0.00007013 0.00009509
0.01230357 -0.00286451 -0.00843933
2.10603875 -0.20576778 9.65201469
0.00016993 0.00008236 0.00025155
0.03908535 -0.02894111 -0.01824124
-31.17349688 1.46887326 3.48453247
0.00001195 -0.00020074 0.00018377
0.01582277 -0.02781045 -0.00852980
16.40239103 13.37724320 -17.79147697
0.00008591 -0.00005184 0.00020753
0.03182478 0.03407904 -0.00508219
-3.22280451 4.99498138 4.60975954
0.00010918 0.00001359 -0.00037422
-0.00456489 -0.00677538 0.01023908
4.91190847 17.34672482 -6.46544711
-0.00032001 -0.00006217 0.00002429
-0.01310658 0.01508364 0.03808090
8.15627360 6.86556644 -21.02195927
0.00019206 0.00044463 -0.00026048
0.02322080 0.02050495 0.00009132
19.32632437 18.85387086 -5.38868082
0.00044921 -0.00018015 -0.00002559
0.02120941 0.03284401 0.00210335
2.11840068 14.76430591 -21.52342974
-0.00004487 0.00003702 0.00004551
-0.03588369 -0.01903455 0.01252487
10.49121855 -5.48471629 0.25672754
0.00004831 -0.00010272 -0.00016969
-0.02480609 -0.00199150 -0.02911916
-16.65659197 -5.47350679 4.97963929
0.00020543 -0.00006673 -0.00012683
0.01122120 0.00587407 0.01159416
-14.31748883 -1.52280716 20.70811172
0.00016400 -0.00020912 0.00011836
0.00193093 -0.00577867 0.01243471
1.12348882 3.58514277 -4.66645643
-0.00037366 0.00001979 -0.00009961
0.00294020 0.03476106 0.01555403
21.05132455 -9.69112884 -3.97232656
-0.00001597 0.00012193 -0.00008063
-0.00339947 -0.00236875 -0.01582361
2.88710411 -10.81032316 6.88245916
-0.00011431 -0.00001946 -0.00006608
-0.06287932 0.02860458 0.00528930
-1.72576928 -1.60323655 -19.68747054
0.00012945 -0.00007008 0.00026686
0.00332220 0.04549915 0.03649159
-0.68311202 4.86665240 -11.22114577
0.00016880 0.00043166 -0.00031428
-0.05460541 -0.01750499 -0.00215955
-4.91177676 15.46784507 13.46892481
0.00000098 0.00010576 -0.00011716
-0.03215236 -0.03072989 -0.03356729
-4.98778335 3.02048274 -7.49091250
0.00017043 0.00006003 -0.00052119
-0.00043543 0.00691273 -0.00387470
-8.71889114 0.23868369 -4.59789001
0.00020459 -0.00020765 -0.00000976
-0.02221459 0.03302759 0.03475814
2.89237337 27.93329939 5.78366455
0.00000662 -0.00013272 -0.00023234
0.02516161 -0.02282565 0.04932356
8.76261586 -9.87057716 -2.06148463
-0.00024758 0.00042573 -0.00008307
0.00366065 0.00080676 -0.00797504
-6.56642890 1.30112448 9.62768641
0.00019444 -0.00000901 0.00031426
-0.02141425 -0.00684047 0.01003859
19.73368332 9.77210018 6.33760270
-0.00020327 -0.00038949 -0.00030346
0.02830269 0.01312933 -0.02416805
-3.37313603 0.73814584 -24.28080372
-0.00004746 -0.00012346 -0.00007130
0.08752242 -0.02830208 0.04043355
-13.57225608 8.40872990 9.50252492
-0.00005318 0.00010102 0.00007897
-0.00297515 -0.00986827 -0.00308363
-13.89822261 5.85451975 -3.93552561
-0.00002637 -0.00024426 0.00000467
0.00626168 -0.04000953 -0.02304973
-3.76875166 -15.20132985 21.09103883
-0.00010757 0.00021149 0.00017145
-0.01275380 -0.01932519 -0.01747961
-6.07058076 8.38690050 -6.88516404
-0.00032979 0.00033622 0.00042760
0.00237300 0.01537525 -0.00865608
-19.78314614 30.17634725 1.09383237
0.00005316 0.00007877 0.00015467
0.02772498 0.00294467 0.02980567
10.43981509 3.51868768 8.15141058
-0.00013211 0.00024147 0.00014958
-0.02290301 0.02739326 -0.00515251
7.50112597 16.49875976 -11.66976802
-0.00007883 0.00000347 -0.00011603
-0.00183062 -0.01805061 0.01472094
13.93385401 4.63020889 -0.93719317
0.00020318 -0.00011810 0.00032301
0.02248754 -0.02816712 -0.04526727
-5.45558855 11.99849656 -1.33337785
-0.00037845 -0.00003073 0.00007834
0.03846208 -0.03715357 -0.01900748
8.09651279 12.04042285 5.02546197
0.00028576 -0.00063913 -0.00011134
0.00000088 0.03750150 -0.00806807
19.81946534 -11.25465083 -10.25014047
0.00007893 0.00012538 -0.00034335
0.00073279 -0.03911847 0.00574130
18.98062363 -5.99237318 -0.32639885
0.00029203 0.00014563 0.00011550
0.02195060 0.02079404 -0.02165583
16.07463842 7.76354887 9.57676032
-0.00013344 -0.00016737 -0.00004234
0.00187719 -0.01618901 0.00516947
4.01638272 -14.40263674 16.52061523
-0.00032668 -0.00023304 0.00032616
-0.00634284 0.00490025 -0.01089264
-3.23812627 -2.34535404 -13.63180699
-0.00048988 -0.00023048 -0.00025802
-0.02818824 -0.01423367 -0.01153414
16.00906253 -6.97424610 -13.50698841
0.00030052 0.00053376 0.00032545
-0.01746949 0.02446975 -0.00712876
10.66765965 -4.27186016 6.17791409
0.00009373 -0.00014714 0.00025345
0.01668985 0.00156215 0.03797485
-19.56227172 0.88085138 24.84220836
-0.00000807 -0.00022469 0.00023418
-0.00720415 0.00786259 0.01792699
24.03705839 -0.77829797 -7.62000157
0.00011660 -0.00008104 0.00024600
0.00714062 -0.00563578 0.00063297
11.53384951 -9.85561709 -11.24635297
-0.00012543 0.00017076 -0.00000161
-0.01357619 -0.01681438 0.00080942
-9.64712122 -9.89999370 16.34271924
-0.00015452 -0.00003531 0.00045472
-0.03587421 -0.03057171 -0.00266639
7.36698969 0.45847681 -28.48141012
-0.00010213 -0.00032931 -0.00020413
-0.01191951 0.01739642 -0.00139190
12.64703835 17.76643053 12.20809370
-0.00015842 -0.00011759 0.00003448
-0.02030605 -0.03357684 0.00900515
25.93458212 7.31018251 -11.00251254
-0.00011283 0.00002321 -0.00014532
0.01029972 0.01424745 0.00128267
4.20819855 -29.99213263 -4.77587925
-0.00154590 0.00032972 0.00016697
-0.00233984 -0.01686417 0.00686104
3.45491578 -30.89949020 -2.12448226
0.00002293 0.00057473 0.00018190
0.00103106 -0.00668946 -0.01168089
-10.12308210 3.49209135 -8.48738945
0.00100485 0.00034420 -0.00017414
0.01612322 0.01722122 0.00925929
-11.44757793 2.86564536 -11.13510209
0.00020942 -0.00008772 -0.00061060
0.00349308 -0.00849657 0.02292304
-37.56030897 3.63501188 3.32115136
0.00085612 0.00029089 -0.00020619
0.00784518 -0.03451417 0.00398271
-38.63285260 0.83902513 3.40266461
-0.00135502 -0.00010644 -0.00027437
-0.00633422 0.00698768 0.00286700
-8.78214558 -3.89114770 1.61089751
0.00050590 0.00062665 -0.00049322
-0.00310654 -0.00958432 0.00496429
-6.35419347 -4.73423460 2.97172854
-0.00006859 0.00008953 -0.00093073
-0.00403255 0.00407117 -0.00206716
3.62124935 -1.25560562 9.08721573
-0.00049981 0.00033397 0.00007542
-0.03448547 0.02632854 0.01095882
2.35215000 1.43359099 8.89525861
-0.00000741 -0.00001955 -0.00145528
-0.00278311 0.00339340 -0.00242192
-30.76059528 -0.40291744 3.50754672
-0.00103194 0.00046316 0.00016389
0.00319897 0.02702680 0.00263883
-32.92285583 1.43536354 3.03983644
-0.00039730 -0.00000473 -0.00048192
-0.01728679 0.00471823 0.00194122
15.03226746 12.26236038 -17.87999124
-0.00052995 -0.00158680 -0.00113995
-0.02934051 -0.03174925 -0.00869140
17.80971956 12.38229874 -17.17161343
0.00041021 0.00046774 0.00021847
0.00314711 -0.01262921 -0.00245741
-2.85760393 6.68557807 5.21209518
-0.00058283 -0.00053255 0.00014501
0.00262800 0.00427161 0.00901092
-3.33859646 5.33595347 2.85853956
-0.00131269 0.00051688 -0.00087426
-0.00033030 -0.00286236 -0.02470413
5.24931277 16.60798531 -8.01058630
0.00107189 0.00012504 0.00021538
0.01445736 -0.01823000 -0.04952134
6.11481435 18.71746385 -6.34280445
0.00043399 0.00109029 0.00003007
0.00759051 0.00097307 0.00451920
8.34910082 6.68625241 -22.84569026
0.00049764 0.00014442 -0.00000810
-0.00836597 -0.01184118 -0.00481270
9.84314250 7.58911906 -20.55472146
0.00054303 0.00011415 0.00124966
-0.02161023 -0.00926094 0.00920094
19.15544630 20.21402838 -4.10062798
0.00093560 0.00025598 0.00112764
-0.01125465 -0.01158936 0.00046916
20.51977119 19.86010289 -6.43146121
0.00076098 0.00035089 -0.00080153
-0.00612846 -0.02108465 0.00043668
1.75295234 13.21662494 -20.57538745
-0.00034148 -0.00041602 -0.00069178
0.01676298 0.00258539 -0.00086590
0.26950799 15.15755771 -21.75610171
0.00044936 -0.00057452 0.00046905
0.01641799 0.01401153 -0.01057243
9.85819473 -7.02074348 -0.69791513
-0.00048184 -0.00056131 -0.00000595
0.01242230 0.02107660 0.01732136
9.43351873 -4.08845047 -0.51120756
-0.00063236 -0.00017798 -0.00012360
0.01556094 -0.01792484 0.01245102
-17.27016391 -6.07670222 6.57638254
0.00043932 -0.00072064 -0.00019137
0.00372825 -0.00204945 0.01062859
-17.90167814 -6.07227338 3.84621898
-0.00067024 0.00097603 -0.00047275
-0.01442167 -0.00312386 -0.02333720
-14.63842988 -0.50456307 19.26618091
0.00038578 -0.00002510 -0.00120821
-0.00052407 0.00750270 -0.02604487
-14.87515986 -0.47138801 22.06675870
-0.00040132 0.00057628 0.00010923
-0.00186487 0.00294394 0.01344562
-0.25732911 3.46458275 -3.45430192
0.00044300 -0.00042601 -0.00024650
0.00639142 -0.01483648 -0.01252591
1.18219965 2.24421004 -5.86766428
-0.00047263 0.00061972 -0.00054387
-0.00946722 -0.02128512 -0.00094360
20.35922159 -9.12350262 -5.59834829
0.00073091 0.00014874 0.00022038
0.00907648 -0.00989642 0.01099496
22.83671304 -10.08882253 -4.25149315
-0.00142704 0.00125696 -0.00089677
-0.00966458 0.00946186 -0.00319095
4.32427266 -11.21653450 6.02473685
0.00100262 -0.00045251 -0.00021560
0.05854169 -0.01241352 -0.02889323
2.87739983 -11.71155541 8.41271419
-0.00132871 0.00001744 -0.00009411
0.00452704 -0.01072406 0.02636740
-2.25369425 -3.19225594 -20.17936889
-0.00150926 -0.00005864 0.00016693
-0.01569175 -0.05162236 -0.01991349
-2.37158027 -1.38152812 -17.94613451
-0.00056944 -0.00040929 0.00025677
0.00392636 -0.00020838 -0.01846658
0.97362738 5.44349324 -11.13254048
-0.00000009 -0.00000545 0.00026834
0.04103135 0.01089501 0.01224057
-1.23942527 4.04344385 -9.67146435
0.00099074 -0.00035112 0.00125498
0.00860316 0.00743562 -0.00604386
-3.94504745 16.09613750 14.75643699
0.00037957 -0.00003265 0.00038490
0.03473968 0.03107160 0.04264127
-6.58965710 15.50951408 14.17138544
-0.00033456 0.00039883 -0.00062033
-0.00426779 0.00172562 -0.00073472
-5.87742621 1.75549681 -6.53936782
0.00016144 0.00043728 0.00044132
-0.00150856 -0.00786131 0.00705407
-5.55884550 2.67113105 -9.19817714
-0.00084729 -0.00044525 -0.00054699
0.00212819 -0.00269014 -0.00766206
-9.70383580 -1.14781901 -3.86914418
-0.00022524 -0.00065353 0.00002582
0.00783377 0.00986990 -0.00617988
-9.34228175 1.81065076 -3.62760544
-0.00044493 -0.00072904 0.00095135
0.01590166 -0.03910408 -0.02201570
2.22189007 28.98895467 4.57059257
0.00081706 0.00060934 0.00079620
-0.02198726 0.02570064 -0.04077243
3.04884770 28.99913999 7.27934327
-0.00046810 0.00007929 0.00020320
-0.00423519 -0.01348937 -0.00942900
7.18151245 -9.85679679 -3.05663185
0.00144452 -0.00093864 -0.00025146
0.00443204 -0.00426501 0.01603689
8.64762957 -11.06452890 -0.68437209
0.00047835 0.00063593 -0.00043683
-0.00720246 -0.00080079 -0.00347257
-5.35298231 -0.05100827 9.18437355
0.00141058 -0.00034078 0.00035767
-0.00392915 0.00121026 0.00365379
-8.22073876 0.53675254 10.08986140
-0.00028181 0.00130840 0.00022700
0.02797166 0.00891217 -0.00896468
19.55396597 9.35730185 8.08307732
-0.00044646 -0.00029631 -0.00015873
-0.00585164 -0.00005261 0.01583912
21.53247739 10.25843321 6.09169938
0.00117017 0.00070821 -0.00107834
-0.01780303 -0.00407272 0.00651369
-2.73707890 0.04268179 -22.53199580
-0.00024717 0.00048358 -0.00046680
-0.01878025 0.02091945 -0.04222230
-5.06751622 0.96022654 -24.11458193
-0.00047690 -0.00026320 0.00012868
-0.06553395 0.00604028 0.00511827
-12.41906738 9.40261416 10.53911672
-0.00035643 -0.00022089 0.00075225
-0.00034653 0.00388661 -0.00278381
-13.60393487 9.38284556 7.95554449
0.00038499 0.00007144 -0.00044323
-0.00101521 0.00606550 -0.00462045
-13.96277577 4.12084855 -4.74039210
0.00046133 0.00060757 -0.00004547
0.00646468 0.03031176 0.02376403
-15.42853605 6.55851662 -4.67124488
0.00104603 0.00119019 -0.00073782
-0.00655309 0.01052610 0.00294144
-5.42318863 -16.14867269 21.08377886
0.00043042 -0.00024629 0.00037084
0.01639419 0.01156063 0.00610328
-3.18883122 -15.67153436 19.40248625
-0.00002506 -0.00003893 -0.00000820
0.00317738 0.00689534 0.01100407
-6.14380583 6.70594367 -6.27417044
-0.00113486 -0.00027913 0.00003070
0.00272304 -0.01948714 0.00364963
-6.89528314 9.47184460 -5.66852418
-0.00018757 -0.00057638 0.00092169
-0.00445285 0.00337679 -0.00325998
-20.41143535 30.91725886 -0.40384677
-0.00051192 0.00039513 0.00034210
-0.00018137 0.00722395 -0.01349685
-17.98986838 30.67213474 1.41417540
-0.00062110 0.00041446 0.00002154
-0.02473770 -0.00974757 -0.01633583
9.33198612 2.67382783 6.90980883
-0.00076925 -0.00014747 -0.00112731
0.00587588 0.00276046 0.00589939
9.68631284 5.26315883 8.38510192
0.00117702 -0.00057367 0.00009298
0.01075916 -0.02225750 -0.00332114
8.49232599 17.28015578 -12.96965041
0.00046071 0.00078359 0.00095619
0.00914356 0.01085994 -0.01257032
8.74397332 15.25258421 -11.07126918
0.00021878 0.00026045 -0.00049509
-0.01163389 0.00734799 -0.00137095
13.11388132 6.05893536 -0.33973098
-0.00111065 0.00003401 0.00072005
-0.02153059 0.02719337 0.02536085
14.11048108 3.36170878 0.33486767
0.00093766 0.00014167 -0.00034776
-0.00796337 -0.00470566 0.02579837
-3.92371633 11.14330680 -2.20101255
-0.00033383 -0.00035011 -0.00089018
-0.03217017 0.03221698 0.00818117
-5.60275659 10.64429046 -0.12485851
0.00081829 -0.00071398 -0.00045694
-0.01494329 0.00111314 0.01109296
7.99415003 13.99505155 4.76859303
-0.00008304 -0.00047136 -0.00023433
0.00474809 -0.05570652 0.00700019
9.70790560 11.35626383 4.39807869
0.00066931 0.00000479 0.00023182
-0.00668437 0.00976605 0.00157903
18.30199377 -11.88815637 -9.31387982
0.00035816 0.00015758 -0.00022863
0.02463563 0.00996295 -0.00756416
20.75904193 -12.87886806 -10.57059701
-0.00094172 0.00083858 -0.00021548
-0.01676533 0.02559052 0.00987291
19.27202460 -5.72723847 -2.19161682
-0.00086200 0.00098808 -0.00012786
-0.00506199 -0.00297531 0.03289519
18.19926125 -7.65827107 -0.21169500
-0.00004597 -0.00010469 0.00010200
-0.00934036 -0.00689285 -0.00557836
15.41582840 9.42594309 9.58451781
-0.00007527 0.00007541 -0.00048147
-0.01077469 0.01691788 -0.00479162
16.15647350 7.37107720 11.35615130
0.00076756 0.00000323 0.00043011
0.00110180 -0.00216000 0.00225719
2.62220125 -15.57049574 16.79665397
0.00012330 -0.00097223 0.00010230
-0.00178082 -0.01291519 0.00301824
3.45148117 -12.78541778 17.12651710
0.00104333 -0.00010058 -0.00042149
0.00534776 0.00788293 0.00243483
-4.08300022 -4.03191139 -13.42030185
-0.00026429 -0.00095752 -0.00014730
0.01486452 0.01462638 -0.00193339
-1.50610821 -2.34557975 -13.16092294
-0.00052968 0.00029078 -0.00060829
0.01146298 -0.00370634 0.00805541
16.08512331 -7.77131735 -15.21067464
0.00001833 0.00011578 0.00025006
0.00366905 0.00349933 0.00374432
17.02090039 -7.81336350 -12.30627687
0.00011199 -0.00000801 0.00019866
0.01529218 -0.01341257 0.01442594
9.45018713 -4.64930953 4.91837259
-0.00011668 0.00000477 -0.00016727
0.00220924 -0.00436368 -0.02007574
12.44675701 -4.69603018 5.76349315
-0.00066397 -0.00038939 0.00056028
-0.03160583 0.00727681 -0.01130178
-20.90535111 -0.38333522 24.90245154
0.00001071 0.00073287 -0.00086308
0.00241617 0.00337345 -0.00427313
-20.02428221 2.10966709 26.16869904
0.00024313 0.00095948 0.00000711
0.00375046 -0.00743011 -0.01632277
25.10256600 -2.31702806 -7.46102735
-0.00063246 -0.00046916 0.00024307
-0.01417792 0.01277210 0.00442631
24.19799767 -0.27051976 -9.39989874
-0.00006095 0.00040819 -0.00030298
-0.00355149 -0.00487594 0.00081427
12.45611091 -9.75011515 -9.70256435
0.00033676 -0.00115141 -0.00092681
0.00578463 0.00639964 0.01489624
12.20257462 -8.59884731 -12.34430941
0.00022680 0.00008545 0.00070949
0.01092688 0.01168088 -0.00965842
-9.47305940 -9.25068589 18.00813642
-0.00002790 0.00002141 0.00013604
0.01061640 0.01272413 0.01491936
-11.24888533 -10.88352384 16.67604069
-0.00037796 0.00122839 -0.00036626
0.02939034 0.01714188 -0.01097357
8.61049433 1.42744023 -29.52806328
0.00033035 -0.00115485 -0.00086255
-0.00443180 -0.01358103 -0.00319506
5.67735768 1.18497585 -28.77468126
0.00025281 -0.00041119 0.00024683
0.01492229 -0.00903286 0.00007955
12.41244181 19.46922016 12.52242289
0.00065787 0.00018697 -0.00059430
-0.00982093 0.04184011 0.01201665
14.21289107 17.66054632 11.39628154
-0.00040471 0.00013810 -0.00010972
0.02868857 -0.00520419 -0.01850559
27.57644302 7.51484753 -11.86310803
0.00024034 0.00028646 -0.00084249
-0.00017828 0.00009829 0.01282723
26.18077291 8.02321709 -9.28503569
-0.00046315 -0.00053421 0.00033741
-0.00179461 -0.01069483 -0.01148532
-7.35878841 4.59612381 6.69434684
0.00028475 0.00004577 0.00004737
0.00082997 -0.00356623 -0.00606433
-9.13524684 8.77896057 3.84319513
0.00024651 -0.00003530 0.00006565
-0.00434603 0.00040584 -0.00572690
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07545070
0.31398700
418.37193984
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.785 s
total exchange = -52.3677884454 (a.u.)
total exchange computation time: 2.8889501095 s
-154.1159943356
-931.39635736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.779 s
total exchange = -52.3671562630 (a.u.)
total exchange computation time: 2.8890309334 s
-154.1217249231
Anderson extrapolation: theta=1.3891351870 (1.3891351870)
-931.39663028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.3661709440 (a.u.)
total exchange computation time: 2.8892881870 s
-154.1302131682
Anderson extrapolation: theta=0.0689366597 (0.0689366597)
-931.39680487
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.781 s
total exchange = -52.3660204507 (a.u.)
total exchange computation time: 2.8889648914 s
-154.1312581000
Anderson extrapolation: theta=2.3723236571 (2.0000000000)
-931.39681545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.781 s
total exchange = -52.3656970619 (a.u.)
total exchange computation time: 2.8902039528 s
-154.1333993393
Anderson extrapolation: theta=0.4553006706 (0.4553006706)
-931.39683005
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.781 s
total exchange = -52.3655574012 (a.u.)
total exchange computation time: 2.8884458542 s
-154.1342312117
Anderson extrapolation: theta=0.9743086889 (0.9743086889)
-931.39683465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.3654513831 (a.u.)
total exchange computation time: 2.8914978504 s
-154.1347604757
Anderson extrapolation: theta=0.5658612159 (0.5658612159)
-931.39683785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.778 s
total exchange = -52.3654243003 (a.u.)
total exchange computation time: 2.8895010948 s
-154.1347795775
Anderson extrapolation: theta=0.7072832618 (0.7072832618)
-931.39683910
71.662238 201.651921 -293.947192
549.053865 1078.970119 -415.393007
620.716103 1280.622040 -709.340198
1590.108426
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1561276366
ExchangeOperator: bisection time: 2.872 s
total exchange = -52.3654311643 (a.u.)
total exchange computation time: 2.8902850151 s
678.67695586
-1083.60769430
89.87512919
-389.17986754
-174.79593170
78.19330482
551.60419304
0.00000000
-931.39683966
3.94910593 -31.61636356 -3.82287588
-0.00032328 0.00023200 -0.00002650
-0.00038973 0.03270455 0.00776072
-11.10869982 2.26916242 -9.31593666
-0.00009537 -0.00011139 -0.00000561
-0.02023145 -0.00561561 -0.02753621
-37.12890336 1.83864552 3.79991037
0.00000144 0.00010612 0.00027485
0.00675020 0.02710123 -0.00703052
-7.74023577 -3.53639881 3.09720971
-0.00010587 -0.00007168 0.00009051
0.01253641 -0.00315561 -0.00936464
2.10873842 -0.20464400 9.65571756
0.00018948 0.00006917 0.00024178
0.03693054 -0.02234242 -0.01972875
-31.17325667 1.46575482 3.48725609
0.00001844 -0.00021393 0.00017906
0.00942477 -0.02347849 -0.00976453
16.40380251 13.37659699 -17.78838360
0.00009947 -0.00003631 0.00020480
0.02089931 0.02633596 -0.00552426
-3.22118438 4.99515907 4.60418581
0.00010647 0.00000942 -0.00037078
-0.00597549 -0.00944164 0.00312483
4.90705782 17.34585041 -6.46493591
-0.00032503 -0.00005257 0.00004365
-0.00641851 0.02224916 0.03722458
8.15924407 6.87231496 -21.02586606
0.00020454 0.00045534 -0.00025967
0.02529153 0.02114567 0.00304888
19.33314432 18.85129537 -5.38905652
0.00046075 -0.00016158 -0.00002417
0.02368028 0.03936958 0.00339909
2.11758923 14.76478773 -21.52269871
-0.00006254 0.00002681 0.00005222
-0.03283533 -0.02066104 0.01354042
10.49184746 -5.48626471 0.25406990
0.00003511 -0.00010403 -0.00018502
-0.02651948 -0.00313615 -0.03049040
-16.65346727 -5.47448507 4.97778159
0.00021040 -0.00006419 -0.00012148
0.00811409 0.00398207 0.00920275
-14.31502143 -1.52596620 20.70993514
0.00016418 -0.00021000 0.00012377
-0.00123009 0.00235924 0.00860270
1.11789532 3.58557365 -4.66789061
-0.00037115 0.00003789 -0.00009235
0.00679080 0.03562122 0.01268907
21.05107182 -9.68930901 -3.97359705
-0.00001976 0.00012104 -0.00008796
-0.01131280 -0.00108231 -0.01268154
2.88514686 -10.81050475 6.88148829
-0.00014394 -0.00000543 -0.00006521
-0.05234645 0.02597163 -0.00188772
-1.72381465 -1.60411218 -19.68332694
0.00013052 -0.00004828 0.00028549
0.00082695 0.03923827 0.03596375
-0.68079063 4.87305985 -11.22586834
0.00013967 0.00042130 -0.00031302
-0.05867276 -0.02281452 0.00708068
-4.91188602 15.46931292 13.46703786
-0.00001471 0.00009058 -0.00013313
-0.02888660 -0.02831056 -0.02853198
-4.98522857 3.02140983 -7.49874532
0.00016967 0.00006311 -0.00052354
-0.00254099 0.00508684 -0.00526307
-8.71590798 0.23569629 -4.59790236
0.00019241 -0.00019128 0.00000885
-0.02515730 0.03065155 0.03763004
2.89256968 27.93122056 5.78036970
0.00001997 -0.00014464 -0.00020554
0.02677558 -0.02351492 0.05487991
8.75891623 -9.86418805 -2.06276143
-0.00024375 0.00042659 -0.00008661
0.01123607 0.00254085 -0.00578052
-6.56359494 1.30096290 9.63243899
0.00018471 -0.00001292 0.00031904
-0.01641596 -0.00835758 0.00855100
19.73074344 9.76630845 6.33295751
-0.00018652 -0.00038207 -0.00031609
0.03683263 0.01574701 -0.02494063
-3.37351028 0.73618481 -24.28171729
-0.00000430 -0.00013750 -0.00005093
0.08030906 -0.02628626 0.03878380
-13.57306532 8.41020712 9.50369763
-0.00005474 0.00009628 0.00007678
-0.00305657 -0.00854121 -0.00543913
-13.89859400 5.85070154 -3.93554453
-0.00002291 -0.00026363 -0.00000664
0.00717724 -0.03533763 -0.02091297
-3.77041446 -15.19823200 21.09354312
-0.00011342 0.00020179 0.00016207
-0.00998938 -0.01841141 -0.01897403
-6.07551845 8.39200318 -6.87878347
-0.00032837 0.00034263 0.00042332
0.00316360 0.00954606 -0.00796291
-19.78224183 30.17754011 1.09626737
0.00006630 0.00008022 0.00016941
0.02337912 0.00272198 0.02750775
10.43774515 3.52241539 8.15363444
-0.00014422 0.00025284 0.00014526
-0.02420924 0.01680266 -0.01163786
7.49993639 16.49874218 -11.67145169
-0.00007984 -0.00000578 -0.00010845
-0.00209798 -0.01791716 0.01476314
13.93698849 4.62832876 -0.93252263
0.00021399 -0.00012970 0.00029965
0.01952210 -0.01692968 -0.04557470
-5.46111699 11.99789237 -1.33227613
-0.00035813 -0.00005026 0.00006826
0.04056482 -0.03880643 -0.02018948
8.10079918 12.03098058 5.02376073
0.00028572 -0.00061967 -0.00011551
-0.00015352 0.03814734 -0.00812602
19.82065207 -11.25292098 -10.25526853
0.00007855 0.00010670 -0.00034014
-0.00221425 -0.03354919 0.00672678
18.98508869 -5.99010857 -0.32474981
0.00030285 0.00015578 0.00010429
0.02015413 0.01870853 -0.02194798
16.07264406 7.76097582 9.57614509
-0.00013254 -0.00017545 -0.00003886
0.00160597 -0.01520212 0.00836557
4.01145805 -14.40611337 16.52546557
-0.00032926 -0.00023169 0.00032000
-0.00369341 0.00031208 -0.01306485
-3.24558320 -2.34886608 -13.63572184
-0.00050482 -0.00023831 -0.00026393
-0.02989727 -0.01623476 -0.01141600
16.01350292 -6.96614537 -13.50213419
0.00029181 0.00054607 0.00032162
-0.01639718 0.02341201 -0.00775095
10.66912996 -4.27406129 6.18186238
0.00010046 -0.00014629 0.00027258
0.00950268 0.00176610 0.03638382
-19.56242050 0.87751136 24.84579022
-0.00001076 -0.00021905 0.00024384
-0.00327349 0.01406927 0.01962059
24.03883501 -0.77953538 -7.61630909
0.00012004 -0.00008335 0.00024537
0.00620684 -0.00332983 -0.00308293
11.53191564 -9.85312053 -11.24637405
-0.00013323 0.00016165 -0.00000183
-0.01674514 -0.01862552 -0.00163287
-9.64957737 -9.90064126 16.34952982
-0.00017228 -0.00005061 0.00045266
-0.03320213 -0.02891124 -0.00535110
7.36541170 0.45360423 -28.48447746
-0.00010730 -0.00032077 -0.00020479
-0.00817229 0.01581984 -0.00117360
12.64458368 17.76453720 12.20864570
-0.00016906 -0.00013426 0.00003933
-0.02105896 -0.03126891 0.00983902
25.93292939 7.31058565 -11.00468745
-0.00010676 0.00003064 -0.00014498
0.01332102 0.01463288 0.00006831
4.18493836 -29.98770363 -4.77316449
-0.00155354 0.00026190 0.00019323
-0.00140092 -0.01633324 0.00599309
3.45529140 -30.89107430 -2.12211167
0.00002758 0.00054510 0.00013204
0.00124270 -0.00781447 -0.01272892
-10.10751528 3.49778208 -8.48971787
0.00106141 0.00040301 -0.00014370
0.01156478 0.01156522 0.00564384
-11.44432966 2.86406927 -11.14355872
0.00022345 -0.00012357 -0.00051365
0.00337802 -0.00905587 0.02453566
-37.54722679 3.63831767 3.31818052
0.00088718 0.00014964 -0.00018979
0.00735763 -0.03462936 0.00404735
-38.65337201 0.83764258 3.39863684
-0.00136757 -0.00006855 -0.00025914
0.00019361 0.01156104 0.00459137
-8.77465224 -3.88204166 1.60365128
0.00049241 0.00058798 -0.00047237
-0.00349840 -0.00934248 0.00524301
-6.35534593 -4.73276691 2.95770420
-0.00008458 0.00010589 -0.00093797
-0.00379366 0.00393815 -0.00147616
3.61269547 -1.24978921 9.08868282
-0.00063430 0.00043615 0.00011857
-0.03134656 0.02368492 0.01016564
2.35195358 1.43340172 8.87335513
-0.00002080 -0.00001385 -0.00146027
-0.00376986 -0.00060204 -0.00001803
-30.77597639 -0.39514193 3.51008591
-0.00101522 0.00056383 0.00017538
0.00498636 0.02225299 0.00298601
-32.92934500 1.43543711 3.03266708
-0.00045859 0.00001551 -0.00047165
-0.01271723 0.00519311 0.00308878
15.02341920 12.23758547 -17.89735678
-0.00062652 -0.00169894 -0.00117336
-0.01793314 -0.02314371 -0.00766474
17.81596910 12.38892785 -17.16841175
0.00042250 0.00041520 0.00020840
0.00286986 -0.01308961 -0.00247112
-2.86626592 6.67772072 5.21454643
-0.00057004 -0.00050850 0.00018285
0.00363595 0.00749992 0.00951418
-3.35829700 5.34361890 2.84466865
-0.00131276 0.00050392 -0.00096187
0.00030010 -0.00348008 -0.01817964
5.26583421 16.60930234 -8.00887313
0.00113074 0.00005109 0.00001559
0.01434650 -0.01797088 -0.04827708
6.12155676 18.73384805 -6.34221489
0.00045117 0.00107983 0.00004781
0.00082011 -0.00609245 0.00416543
8.35630913 6.68805591 -22.84595916
0.00046489 0.00009667 -0.00002965
-0.00766733 -0.01153269 -0.00574074
9.85062576 7.59054749 -20.53569460
0.00044927 0.00007447 0.00128320
-0.02428691 -0.01016316 0.00721483
19.16913549 20.21751300 -4.08369895
0.00089144 0.00020070 0.00111939
-0.01036643 -0.01547281 -0.00450853
20.53099814 19.86472008 -6.44347078
0.00072875 0.00025984 -0.00079228
-0.00965002 -0.02348391 0.00409155
1.74834388 13.21046391 -20.58579072
-0.00027133 -0.00040554 -0.00069492
0.01757478 0.00254218 -0.00067088
0.27675145 15.14936933 -21.74938993
0.00050868 -0.00051343 0.00042380
0.01262215 0.01588965 -0.01157668
9.85134775 -7.02851726 -0.69747355
-0.00042942 -0.00047122 0.00006646
0.01324008 0.02302133 0.01812174
9.42451013 -4.09166941 -0.51267998
-0.00056696 -0.00025261 -0.00007171
0.01645177 -0.01860685 0.01294591
-17.26345980 -6.08757465 6.57383764
0.00045472 -0.00072855 -0.00014953
0.00381032 -0.00182028 0.00985196
-17.91217368 -6.05772866 3.83841255
-0.00072274 0.00096636 -0.00056154
-0.01127523 -0.00160831 -0.02012336
-14.63265920 -0.50470967 19.24725960
0.00038684 -0.00000501 -0.00129847
0.00104064 0.00233167 -0.01813651
-14.88123683 -0.46265357 22.06880920
-0.00040569 0.00058253 0.00015543
-0.00027559 0.00011646 0.00916720
-0.25048822 3.45773803 -3.45838319
0.00046110 -0.00048675 -0.00029082
0.00246507 -0.01490007 -0.00916939
1.17482013 2.25285364 -5.87585127
-0.00051085 0.00053127 -0.00054863
-0.00924355 -0.02201514 -0.00138591
20.37046341 -9.12157472 -5.59470563
0.00076181 0.00011159 0.00025916
0.00604653 -0.00829037 0.00798532
22.81501126 -10.06967818 -4.26504254
-0.00144441 0.00128925 -0.00090973
0.00116500 0.00634609 -0.00314912
4.34110585 -11.22370253 6.02061746
0.00121915 -0.00049750 -0.00031857
0.04745175 -0.00961019 -0.02150984
2.85760788 -11.71162248 8.41211056
-0.00130937 -0.00002669 0.00001314
0.00493849 -0.01087429 0.02613122
-2.27681406 -3.19471734 -20.17747513
-0.00156944 -0.00025751 0.00008769
-0.01376350 -0.04572568 -0.01887449
-2.38000157 -1.38767383 -17.94284882
-0.00055181 -0.00040901 0.00018007
0.00470633 0.00034607 -0.01907987
0.97488342 5.44374530 -11.12814026
0.00017150 0.00004094 0.00031694
0.04295927 0.01181291 0.01154715
-1.22430057 4.03840497 -9.65282480
0.00102910 -0.00031214 0.00121262
0.01017620 0.01164522 -0.01469507
-3.93828941 16.09659995 14.76351721
0.00051226 0.00008881 0.00054892
0.03021628 0.02838050 0.03764732
-6.59480629 15.51554943 14.16205800
-0.00034951 0.00040621 -0.00062315
-0.00304777 0.00188669 -0.00064528
-5.87505087 1.76181515 -6.53253190
0.00015749 0.00040802 0.00046739
-0.00042567 -0.00646254 0.00570943
-5.57148956 2.66436991 -9.20661681
-0.00083626 -0.00045548 -0.00057274
0.00326993 -0.00231814 -0.00494300
-9.70697438 -1.15731957 -3.86894626
-0.00018868 -0.00060846 -0.00000293
0.01006505 0.01219322 -0.00789120
-9.34846841 1.79851693 -3.61400983
-0.00037849 -0.00088860 0.00085918
0.01662156 -0.03900484 -0.02310370
2.23347227 28.99888225 4.58128611
0.00072356 0.00071979 0.00062169
-0.02378445 0.02836970 -0.04464929
3.04169645 28.99991593 7.28210238
-0.00048505 0.00001956 0.00016175
-0.00406267 -0.01574673 -0.01086323
7.20331610 -9.87100713 -3.05991230
0.00144750 -0.00095467 -0.00019513
-0.00297359 -0.00358121 0.01153465
8.65458409 -11.05501453 -0.69103100
0.00044852 0.00062772 -0.00044590
-0.00739691 -0.00321525 -0.00096359
-5.33194403 -0.05608289 9.18985058
0.00138477 -0.00032964 0.00037545
-0.00870453 0.00424083 0.00505104
-8.22410883 0.55665165 10.09299165
-0.00016821 0.00134097 0.00019055
0.02763784 0.00703125 -0.00887544
19.54708974 9.35285554 8.08118177
-0.00046809 -0.00029539 -0.00009715
-0.00473333 0.00050272 0.01430253
21.54948433 10.26893150 6.07572388
0.00107847 0.00068529 -0.00104685
-0.02708318 -0.00714461 0.00890044
-2.74136198 0.05057660 -22.54029169
-0.00032139 0.00056639 -0.00063386
-0.01754765 0.01961385 -0.03955220
-5.07667785 0.95646365 -24.11249483
-0.00073177 -0.00024047 0.00014778
-0.05922841 0.00508349 0.00423092
-12.42442451 9.39941987 10.55031522
-0.00035878 -0.00020483 0.00073910
-0.00080145 0.00397587 -0.00365342
-13.59819109 9.38410302 7.94875445
0.00038158 0.00009342 -0.00045556
-0.00065325 0.00469514 -0.00141591
-13.95565778 4.13089096 -4.74034588
0.00048614 0.00072325 0.00004717
0.00568227 0.02631258 0.02158204
-15.41304640 6.57669205 -4.68222201
0.00101863 0.00123117 -0.00072610
-0.00686094 0.00953207 0.00279326
-5.41622990 -16.15201275 21.08952854
0.00049135 -0.00020266 0.00039591
0.01342773 0.00979426 0.00616904
-3.18910972 -15.67190698 19.40270050
-0.00001295 -0.00000974 0.00003966
0.00274978 0.00739205 0.01242129
-6.16074528 6.70115955 -6.27359804
-0.00112282 -0.00035064 0.00004174
0.00316850 -0.01551579 0.00175279
-6.89823312 9.46330240 -5.65479869
-0.00020763 -0.00055901 0.00091064
-0.00536603 0.00512727 -0.00214935
-20.41911968 30.92340716 -0.39912889
-0.00051133 0.00042315 0.00029021
0.00046872 0.00649234 -0.01190049
-17.99994292 30.67805292 1.41399789
-0.00071449 0.00037671 -0.00004402
-0.02097607 -0.00873067 -0.01575647
9.32062749 2.67170032 6.89307995
-0.00073570 -0.00012794 -0.00109149
0.01054515 0.00680050 0.01163317
9.70429784 5.25387177 8.38639487
0.00121370 -0.00065177 0.00008046
0.00719544 -0.01597531 -0.00280873
8.49951689 17.29224237 -12.95569277
0.00049797 0.00082934 0.00090336
0.00909354 0.01153455 -0.01329181
8.74689858 15.25671607 -11.07873762
0.00017170 0.00028847 -0.00049916
-0.01141578 0.00636968 -0.00061915
13.09656180 6.06027880 -0.32815310
-0.00118886 0.00012931 0.00081725
-0.01675287 0.01945428 0.02221785
14.12430193 3.36368961 0.33044178
0.00090582 0.00011615 -0.00023571
-0.00762150 -0.00778629 0.02905302
-3.92970956 11.13904243 -2.21411451
-0.00046834 -0.00021548 -0.00085457
-0.03367344 0.03368363 0.00924789
-5.59094022 10.63361482 -0.13137270
0.00075682 -0.00070868 -0.00041141
-0.01514256 0.00148306 0.01119508
7.99304990 13.98627415 4.76529262
-0.00006366 -0.00069912 -0.00020539
0.00473794 -0.05578235 0.00716485
9.71774049 11.35663498 4.40160436
0.00064191 0.00004409 0.00023806
-0.00672892 0.00947113 0.00147622
18.30812114 -11.88548734 -9.31754099
0.00045584 0.00019891 -0.00025802
0.02317790 0.01026832 -0.00682566
20.74440242 -12.86550523 -10.57352673
-0.00100129 0.00093107 -0.00017829
-0.01239315 0.01968676 0.00833445
19.25893954 -5.71250849 -2.19252672
-0.00088186 0.00097478 0.00000786
-0.00466248 -0.00353335 0.03354154
18.19828544 -7.66005271 -0.21033591
-0.00008178 -0.00012790 0.00007842
-0.00818909 -0.00446608 -0.00596428
15.41436911 9.42759262 9.57714893
-0.00011756 0.00014011 -0.00050006
-0.00992594 0.01475245 -0.00430950
16.16802071 7.37105952 11.36267208
0.00077110 -0.00000315 0.00043197
0.00062872 -0.00096569 -0.00134291
2.62399621 -15.58547498 16.79828096
0.00011616 -0.00102118 0.00011592
-0.00171668 -0.01104728 0.00364954
3.46729495 -12.78668493 17.12026936
0.00105965 -0.00006191 -0.00040792
0.00264048 0.01104595 0.00420711
-4.08650905 -4.04582602 -13.42257064
-0.00020227 -0.00089312 -0.00015584
0.01549154 0.01689932 -0.00224693
-1.51370209 -2.34133170 -13.16980047
-0.00048098 0.00027553 -0.00057487
0.01237496 -0.00375823 0.00830439
16.08551068 -7.76947335 -15.20680896
0.00003249 0.00013088 0.00026620
0.00326249 0.00389143 0.00415552
17.02304887 -7.81389461 -12.30285492
0.00017314 -0.00006164 0.00025658
0.01463811 -0.01284111 0.01392756
9.44850461 -4.64937163 4.91524833
-0.00010261 -0.00001141 -0.00024344
0.00467793 -0.00355635 -0.01720681
12.43582899 -4.70164809 5.77155097
-0.00078302 -0.00036188 0.00051186
-0.02666890 0.00619106 -0.01240034
-20.90511641 -0.37223885 24.88937439
0.00001265 0.00073979 -0.00087856
-0.00146636 0.00001816 -0.00330350
-20.02052026 2.12383163 26.16830557
0.00025879 0.00092347 -0.00006436
0.00391274 -0.01019972 -0.01866395
25.09264461 -2.32367402 -7.45724573
-0.00068844 -0.00041849 0.00026043
-0.01322159 0.01203162 0.00407578
24.19697453 -0.26454627 -9.40441852
-0.00007532 0.00038501 -0.00029178
-0.00348279 -0.00647255 0.00467011
12.46133952 -9.76719012 -9.71601009
0.00036555 -0.00112524 -0.00085692
0.00831149 0.00640842 0.01931565
12.20631143 -8.59720766 -12.33396299
0.00027310 0.00013702 0.00066603
0.01173770 0.01356660 -0.01161608
-9.47315257 -9.24997477 18.01063414
0.00001571 0.00007431 0.00020041
0.01073132 0.01316770 0.01659242
-11.25365415 -10.86457267 16.67021060
-0.00026352 0.00129411 -0.00040917
0.02663181 0.01502838 -0.01003231
8.61531379 1.40970127 -29.54109943
0.00031042 -0.00120989 -0.00087384
-0.00532434 -0.01336016 -0.00233008
5.68160703 1.17853114 -28.77097637
0.00030828 -0.00044528 0.00024551
0.01223081 -0.00765102 -0.00072462
12.42200889 19.47330676 12.51387668
0.00061721 0.00035483 -0.00054537
-0.01008037 0.04032990 0.01193336
14.20769956 17.66245842 11.39406871
-0.00028551 0.00011506 -0.00018685
0.02965972 -0.00607639 -0.01925089
27.58004268 7.51914739 -11.87535232
0.00023300 0.00028656 -0.00078463
-0.00341783 -0.00004905 0.01549754
26.17377065 8.01487617 -9.28032645
-0.00046928 -0.00057801 0.00028800
-0.00120700 -0.01074372 -0.01270249
-7.35451487 4.59680086 6.69504116
0.00028507 0.00004444 0.00004522
0.00093729 -0.00388548 -0.00597324
-9.13155678 8.77843179 3.84416991
0.00024550 -0.00003522 0.00006432
-0.00436709 0.00031699 -0.00572415
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07658491
0.32025475
426.72339391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.3534655731 (a.u.)
total exchange computation time: 2.9778709412 s
-154.0671630639
-931.40215130
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.055 s
total exchange = -52.3531421770 (a.u.)
total exchange computation time: 2.9796140194 s
-154.0708585772
Anderson extrapolation: theta=1.4050054839 (1.4050054839)
-931.40240372
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.3526350083 (a.u.)
total exchange computation time: 2.9784200191 s
-154.0764103134
Anderson extrapolation: theta=0.0738025973 (0.0738025973)
-931.40256814
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.057 s
total exchange = -52.3525576306 (a.u.)
total exchange computation time: 2.9786791801 s
-154.0771506618
Anderson extrapolation: theta=2.4450167330 (2.0000000000)
-931.40257894
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.048 s
total exchange = -52.3523985799 (a.u.)
total exchange computation time: 2.9786679745 s
-154.0786460585
Anderson extrapolation: theta=0.4754576522 (0.4754576522)
-931.40259411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.045 s
total exchange = -52.3523380681 (a.u.)
total exchange computation time: 2.9791538715 s
-154.0792136203
Anderson extrapolation: theta=0.8378796055 (0.8378796055)
-931.40259892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.044 s
total exchange = -52.3523137149 (a.u.)
total exchange computation time: 2.9772388935 s
-154.0794558178
Anderson extrapolation: theta=0.6029930517 (0.6029930517)
-931.40260189
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.049 s
total exchange = -52.3523245097 (a.u.)
total exchange computation time: 2.9792189598 s
-154.0793792835
Anderson extrapolation: theta=0.6369903235 (0.6369903235)
-931.40260316
71.690633 201.648832 -294.033412
549.021324 1078.989979 -415.437708
620.711957 1280.638812 -709.471120
1590.178723
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1569929692
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.3523496805 (a.u.)
total exchange computation time: 3.0345549583 s
678.46978425
-1083.15534034
89.88769681
-389.49087900
-174.76151576
77.94139751
551.60419304
0.00000000
-931.40260372
3.94425525 -31.61275744 -3.82324342
-0.00032371 0.00024869 -0.00002216
-0.00130185 0.03219030 0.00912834
-11.11020845 2.26746994 -9.31612705
-0.00010456 -0.00011270 -0.00001913
-0.01549821 0.00049588 -0.02503959
-37.12885577 1.84034189 3.80400594
0.00000349 0.00011888 0.00027086
0.00124421 0.02249358 -0.00847452
-7.74177548 -3.53748617 3.09853125
-0.00009943 -0.00007334 0.00008545
0.01252911 -0.00330102 -0.01031431
2.11172300 -0.20369258 9.65926822
0.00020761 0.00005958 0.00023133
0.03360827 -0.01496257 -0.02091678
-31.17294375 1.46245525 3.48990438
0.00002153 -0.00022462 0.00017368
0.00259813 -0.01809483 -0.01117481
16.40537523 13.37615396 -17.78533286
0.00010746 -0.00002485 0.00020180
0.01015086 0.01820331 -0.00617110
-3.21961036 4.99526392 4.59863619
0.00010300 0.00000399 -0.00037109
-0.00752269 -0.01167307 -0.00435312
4.90215766 17.34514764 -6.46413753
-0.00032662 -0.00003974 0.00006196
0.00022255 0.02766924 0.03396491
8.16240966 6.87922661 -21.02974932
0.00021790 0.00046629 -0.00025740
0.02668234 0.02143684 0.00575908
19.34014695 18.84902361 -5.38940600
0.00047345 -0.00013991 -0.00002210
0.02571313 0.04488863 0.00465763
2.11652447 14.76511016 -21.52186322
-0.00007849 0.00001583 0.00005939
-0.02917731 -0.02202168 0.01435938
10.49227179 -5.48783733 0.25117705
0.00002119 -0.00010590 -0.00020086
-0.02760143 -0.00412701 -0.03112874
-16.65027997 -5.47543263 4.97599488
0.00021359 -0.00006268 -0.00011745
0.00430612 0.00191425 0.00647051
-14.31256351 -1.52910703 20.71182494
0.00016274 -0.00020670 0.00012719
-0.00437788 0.01045397 0.00468833
1.11235420 3.58627933 -4.66922690
-0.00036662 0.00005625 -0.00008679
0.01084468 0.03580785 0.00892465
21.05073181 -9.68749753 -3.97496537
-0.00002778 0.00012079 -0.00009351
-0.01989614 0.00011197 -0.00889044
2.88278578 -10.81048597 6.88050286
-0.00016780 0.00000699 -0.00006794
-0.04042457 0.02232905 -0.00871617
-1.72185363 -1.60468510 -19.67890589
0.00013012 -0.00003025 0.00030351
-0.00237296 0.03090529 0.03412382
-0.67892188 4.87929130 -11.23053629
0.00010915 0.00040855 -0.00030723
-0.06001264 -0.02676898 0.01541450
-4.91221813 15.47056236 13.46493080
-0.00002839 0.00007686 -0.00014607
-0.02428818 -0.02500991 -0.02177070
-4.98269340 3.02237617 -7.50661874
0.00016775 0.00006521 -0.00052657
-0.00491358 0.00304391 -0.00650720
-8.71311891 0.23294535 -4.59762441
0.00017887 -0.00017624 0.00002873
-0.02749419 0.02784348 0.03967761
2.89297256 27.92896031 5.77749824
0.00003382 -0.00015656 -0.00017660
0.02707329 -0.02284747 0.05766735
8.75530329 -9.85777934 -2.06408283
-0.00023594 0.00042840 -0.00008887
0.01912681 0.00446690 -0.00301492
-6.56088762 1.30073685 9.63725755
0.00017765 -0.00001744 0.00032303
-0.01103468 -0.00920602 0.00696847
19.72808771 9.76063820 6.32811991
-0.00016582 -0.00037341 -0.00032890
0.04365049 0.01790944 -0.02485418
-3.37326497 0.73402098 -24.28233166
0.00003425 -0.00015028 -0.00003164
0.06957511 -0.02344471 0.03623510
-13.57389815 8.41161844 9.50482837
-0.00005633 0.00009227 0.00007337
-0.00312953 -0.00707445 -0.00782107
-13.89891002 5.84661071 -3.93572479
-0.00001910 -0.00028024 -0.00001672
0.00764294 -0.02921873 -0.01830556
-3.77215433 -15.19527618 21.09590103
-0.00011797 0.00019242 0.00015207
-0.00769092 -0.01800972 -0.01991142
-6.08043173 8.39717950 -6.87246433
-0.00032658 0.00034595 0.00041945
0.00376085 0.00334293 -0.00710554
-19.78115717 30.17875398 1.09891458
0.00007691 0.00008158 0.00018276
0.01789230 0.00256242 0.02441749
10.43548843 3.52627274 8.15576851
-0.00015675 0.00025860 0.00013774
-0.02450992 0.00559940 -0.01761400
7.49873063 16.49858637 -11.67302147
-0.00008096 -0.00001477 -0.00010104
-0.00224519 -0.01705637 0.01403640
13.94027358 4.62631802 -0.92820369
0.00022277 -0.00013557 0.00027648
0.01462481 -0.00592109 -0.04452031
-5.46633249 11.99698880 -1.33133016
-0.00033698 -0.00007052 0.00005773
0.04168441 -0.04000130 -0.02073529
8.10508439 12.02183261 5.02199680
0.00028557 -0.00060016 -0.00011965
-0.00042712 0.03774793 -0.00799129
19.82182173 -11.25144996 -10.26034469
0.00007663 0.00009124 -0.00033648
-0.00521835 -0.02654223 0.00752092
18.98970923 -5.98769963 -0.32327009
0.00031267 0.00016478 0.00009313
0.01800310 0.01626551 -0.02146120
16.07066208 7.75828549 9.57559439
-0.00013185 -0.00018282 -0.00003379
0.00108736 -0.01348413 0.01137015
4.00650489 -14.40958758 16.53021512
-0.00033055 -0.00023269 0.00031277
-0.00131804 -0.00417886 -0.01504752
-3.25327078 -2.35250336 -13.63972477
-0.00052037 -0.00024701 -0.00026972
-0.03057690 -0.01760881 -0.01112771
16.01781681 -6.95786401 -13.49733976
0.00028379 0.00055770 0.00031767
-0.01479741 0.02180782 -0.00761602
10.67067359 -4.27624880 6.18609135
0.00010320 -0.00014529 0.00029078
0.00112835 0.00212764 0.03441494
-19.56259454 0.87427989 24.84952345
-0.00001136 -0.00021031 0.00025425
0.00093764 0.01991705 0.02085904
24.04065950 -0.78079848 -7.61264040
0.00012290 -0.00008439 0.00024289
0.00493913 -0.00069886 -0.00657687
11.52985259 -9.85076766 -11.24640773
-0.00014250 0.00015180 -0.00000325
-0.01929455 -0.01966976 -0.00389417
-9.65228966 -9.90151186 16.35629911
-0.00018840 -0.00006482 0.00044937
-0.02946927 -0.02635022 -0.00743983
7.36377066 0.44885369 -28.48755385
-0.00011044 -0.00031313 -0.00020531
-0.00403192 0.01388648 -0.00084073
12.64196655 17.76240263 12.20927360
-0.00017983 -0.00014927 0.00004450
-0.02080709 -0.02708536 0.01028243
25.93137943 7.31110168 -11.00686183
-0.00009925 0.00003822 -0.00014529
0.01586348 0.01485954 -0.00130719
4.16159231 -29.98427563 -4.77008243
-0.00155709 0.00019704 0.00021544
-0.00033606 -0.01541772 0.00488010
3.45574317 -30.88313731 -2.12052120
0.00003302 0.00051115 0.00007858
0.00142197 -0.00880021 -0.01343551
-10.09123969 3.50418159 -8.49170040
0.00109868 0.00043817 -0.00012825
0.00667542 0.00564770 0.00192042
-11.44087437 2.86193818 -11.15051166
0.00023682 -0.00016133 -0.00041110
0.00316715 -0.00942726 0.02566565
-37.53369370 3.63950116 3.31545772
0.00091592 0.00000964 -0.00017351
0.00671106 -0.03390445 0.00392256
-38.67387955 0.83696856 3.39489047
-0.00135462 -0.00001310 -0.00023713
0.00614273 0.01558409 0.00617934
-8.76737331 -3.87350819 1.59672637
0.00047735 0.00055043 -0.00045030
-0.00387079 -0.00904040 0.00556169
-6.35673089 -4.73105787 2.94358939
-0.00009937 0.00012150 -0.00094273
-0.00344566 0.00370161 -0.00085418
3.60222047 -1.24252125 9.09077293
-0.00075392 0.00052602 0.00015770
-0.02721050 0.02031110 0.00898560
2.35152611 1.43317556 8.85145055
-0.00003821 -0.00002435 -0.00145519
-0.00475292 -0.00453677 0.00250358
-30.79105191 -0.38600262 3.51280811
-0.00099110 0.00064332 0.00018826
0.00682263 0.01665715 0.00331991
-32.93661357 1.43582895 3.02568703
-0.00050068 0.00003762 -0.00045652
-0.00788791 0.00562666 0.00431599
15.01347188 12.21139216 -17.91519206
-0.00067689 -0.00177570 -0.00120195
-0.00672477 -0.01442938 -0.00632870
17.82239453 12.39475475 -17.16536152
0.00043326 0.00036114 0.00019810
0.00239549 -0.01337271 -0.00256761
-2.87470508 6.67032301 5.21758077
-0.00055336 -0.00047185 0.00022247
0.00452769 0.01043968 0.00987879
-3.37797915 5.35107106 2.82968359
-0.00130978 0.00048827 -0.00102167
0.00115688 -0.00418008 -0.01109452
5.28323488 16.60951800 -8.01011868
0.00118798 -0.00001949 -0.00017449
0.01367472 -0.01657986 -0.04476532
6.12834942 18.74985886 -6.34137006
0.00044189 0.00104180 0.00006416
-0.00536282 -0.01252360 0.00383470
8.36304753 6.68915261 -22.84657990
0.00043515 0.00005023 -0.00005463
-0.00688850 -0.01120320 -0.00648424
9.85662056 7.59135306 -20.51622558
0.00034573 0.00003155 0.00130859
-0.02639736 -0.01084600 0.00521784
19.18218936 20.22004935 -4.06704623
0.00085074 0.00013066 0.00109164
-0.00955640 -0.01881410 -0.00907718
20.54163368 19.86789803 -6.45522959
0.00068323 0.00015999 -0.00076893
-0.01263120 -0.02539134 0.00733956
1.74481251 13.20445869 -20.59623510
-0.00019818 -0.00039552 -0.00069707
0.01822997 0.00236411 -0.00037964
0.28476847 15.14215476 -21.74338765
0.00055174 -0.00044480 0.00037461
0.00845447 0.01770483 -0.01250205
9.84531220 -7.03488015 -0.69592135
-0.00037416 -0.00037441 0.00014134
0.01380864 0.02437090 0.01853497
9.41650980 -4.09602869 -0.51335900
-0.00049871 -0.00032897 -0.00001838
0.01695862 -0.01877451 0.01316242
-17.25652218 -6.09855864 6.57189653
0.00047050 -0.00073534 -0.00011148
0.00391328 -0.00150349 0.00877468
-17.92336024 -6.04328251 3.82937284
-0.00076122 0.00096314 -0.00063599
-0.00756060 0.00003000 -0.01632009
-14.62682474 -0.50471338 19.22722677
0.00039409 -0.00000573 -0.00135632
0.00250752 -0.00268215 -0.01017880
-14.88733069 -0.45391199 22.07142153
-0.00040348 0.00057716 0.00018403
0.00136144 -0.00274782 0.00483370
-0.24349626 3.44998014 -3.46302642
0.00046264 -0.00054778 -0.00032074
-0.00170852 -0.01497034 -0.00548049
1.16687410 2.26014801 -5.88412320
-0.00054803 0.00044101 -0.00055429
-0.00895704 -0.02216334 -0.00138300
20.38207581 -9.12015490 -5.59057357
0.00077970 0.00008144 0.00028451
0.00271265 -0.00646884 0.00442669
22.79338089 -10.05014490 -4.27878493
-0.00141564 0.00130850 -0.00092302
0.01291524 0.00307459 -0.00335726
4.36084718 -11.23145953 6.01517981
0.00138771 -0.00053025 -0.00039003
0.03505900 -0.00641844 -0.01347065
2.83811859 -11.71235600 8.41310840
-0.00128823 -0.00007025 0.00011728
0.00541105 -0.01044972 0.02484604
-2.30077739 -3.19998109 -20.17673811
-0.00161997 -0.00042835 0.00001397
-0.01097313 -0.03790478 -0.01721141
-2.38813444 -1.39379832 -17.94073246
-0.00053141 -0.00040639 0.00010205
0.00527959 0.00093273 -0.01910817
0.97877227 5.44472133 -11.12303236
0.00034678 0.00008971 0.00036236
0.04284384 0.01206267 0.01068871
-1.20855220 4.03407977 -9.63508585
0.00107271 -0.00025712 0.00113704
0.01116794 0.01528415 -0.02229926
-3.92967954 16.09880174 14.77290469
0.00062379 0.00019775 0.00068915
0.02437473 0.02494779 0.03099572
-6.60014227 15.52170040 14.15269102
-0.00035940 0.00041426 -0.00062553
-0.00179651 0.00205506 -0.00052168
-5.87270162 1.76773743 -6.52534607
0.00015820 0.00038486 0.00048750
0.00077527 -0.00487630 0.00413388
-5.58393323 2.65746670 -9.21535943
-0.00082045 -0.00046414 -0.00058728
0.00446947 -0.00192271 -0.00217488
-9.70949611 -1.16607285 -3.86923197
-0.00014364 -0.00055482 -0.00003818
0.01198009 0.01406476 -0.00936771
-9.35363639 1.78399264 -3.60183017
-0.00030987 -0.00104586 0.00076375
0.01696533 -0.03797438 -0.02360577
2.24359681 29.01054851 4.58924327
0.00062510 0.00083765 0.00043563
-0.02440913 0.02932303 -0.04642969
3.03429622 28.99972681 7.28419572
-0.00050119 -0.00004844 0.00011549
-0.00383675 -0.01754117 -0.01177977
7.22493751 -9.88543695 -3.06248584
0.00141897 -0.00096843 -0.00015845
-0.01099314 -0.00315563 0.00642126
8.66108528 -11.04569721 -0.69774896
0.00041808 0.00060967 -0.00044472
-0.00750320 -0.00562192 0.00153922
-5.31143923 -0.06089761 9.19563716
0.00134023 -0.00030698 0.00039853
-0.01309891 0.00685342 0.00624593
-8.22578508 0.57698168 10.09557795
-0.00005755 0.00136534 0.00015489
0.02653108 0.00489548 -0.00858235
19.53992341 9.34844005 8.08016278
-0.00048512 -0.00029195 -0.00004304
-0.00360724 0.00118152 0.01218369
21.56483145 10.27899192 6.06029384
0.00095213 0.00065058 -0.00100605
-0.03476070 -0.00984837 0.01107371
-2.74672048 0.05967346 -22.55101159
-0.00038974 0.00064301 -0.00078789
-0.01591273 0.01789354 -0.03584726
-5.08946936 0.95301230 -24.11014843
-0.00095508 -0.00022246 0.00016259
-0.05008302 0.00373528 0.00301884
-12.42983075 9.39646924 10.56128981
-0.00036301 -0.00018847 0.00072239
-0.00126764 0.00403365 -0.00452762
-13.59248734 9.38564822 7.94187763
0.00037957 0.00010970 -0.00045468
-0.00033165 0.00327299 0.00184954
-13.94819154 4.14254597 -4.73897698
0.00050776 0.00082044 0.00012975
0.00490023 0.02126303 0.01884098
-15.39797723 6.59545166 -4.69302795
0.00099081 0.00126757 -0.00071462
-0.00675633 0.00828839 0.00282708
-5.40844825 -16.15475256 21.09565630
0.00054236 -0.00016372 0.00042090
0.01154529 0.00926984 0.00605993
-3.18921969 -15.67182658 19.40367601
-0.00000227 0.00002126 0.00009236
0.00247865 0.00778104 0.01337737
-6.17749055 6.69542452 -6.27291822
-0.00110887 -0.00040486 0.00004478
0.00366387 -0.01102713 -0.00026676
-6.90151197 9.45507443 -5.64120493
-0.00023130 -0.00053478 0.00090397
-0.00621979 0.00673012 -0.00111546
-20.42677528 30.92995334 -0.39514034
-0.00050771 0.00044760 0.00024586
0.00130279 0.00547590 -0.00980945
-18.01130300 30.68343603 1.41285473
-0.00079067 0.00034365 -0.00010680
-0.01631474 -0.00745250 -0.01497271
9.30991514 2.66998959 6.87706403
-0.00068444 -0.00009294 -0.00103367
0.01454600 0.01033470 0.01666946
9.72272382 5.24360564 8.38751568
0.00123515 -0.00070214 0.00007029
0.00330445 -0.00868055 -0.00216746
8.50726509 17.30503587 -12.94254974
0.00053410 0.00087703 0.00084885
0.00859468 0.01181169 -0.01339078
8.74912421 15.26123831 -11.08624400
0.00012611 0.00031197 -0.00049998
-0.01090088 0.00513238 0.00022012
13.07821556 6.06281452 -0.31521356
-0.00124669 0.00019106 0.00090071
-0.01155488 0.01077656 0.01863843
14.13765570 3.36519326 0.32779645
0.00087502 0.00007956 -0.00011206
-0.00745524 -0.01012496 0.03147512
-3.93776650 11.13684240 -2.22664970
-0.00060749 -0.00007591 -0.00081534
-0.03444225 0.03463542 0.00995452
-5.58005187 10.62303007 -0.13720079
0.00069472 -0.00070134 -0.00036595
-0.01526006 0.00211075 0.01105651
7.99224015 13.97407806 4.76243131
-0.00004445 -0.00092495 -0.00017605
0.00466853 -0.05476416 0.00719810
9.72716300 11.35758659 4.40522051
0.00061464 0.00008196 0.00024377
-0.00662203 0.00906557 0.00131947
18.31566900 -11.88218900 -9.32162049
0.00054631 0.00024110 -0.00028366
0.02110507 0.01038090 -0.00572330
20.72900337 -12.85093588 -10.57594566
-0.00104173 0.00099725 -0.00014789
-0.00740522 0.01270536 0.00654414
19.24556873 -5.69799506 -2.19138098
-0.00089985 0.00095947 0.00014464
-0.00414157 -0.00395943 0.03341427
18.19680776 -7.66210806 -0.20934235
-0.00011268 -0.00014079 0.00005338
-0.00693576 -0.00184460 -0.00629493
15.41230149 9.43014627 9.56951595
-0.00015590 0.00019468 -0.00051659
-0.00884139 0.01196380 -0.00378263
16.17960645 7.37098265 11.36911055
0.00077259 -0.00000470 0.00041938
0.00010197 0.00020763 -0.00482395
2.62568596 -15.60113127 16.80013162
0.00010962 -0.00106208 0.00013205
-0.00148306 -0.00896960 0.00424430
3.48327056 -12.78727511 17.11427945
0.00106519 -0.00001094 -0.00038742
0.00007305 0.01390326 0.00582634
-4.08906846 -4.05870496 -13.42497714
-0.00013837 -0.00082055 -0.00016552
0.01578898 0.01862462 -0.00249071
-1.52053755 -2.33731397 -13.17816906
-0.00042990 0.00026013 -0.00054085
0.01262850 -0.00378006 0.00834784
16.08609799 -7.76739087 -15.20268861
0.00004501 0.00014751 0.00028377
0.00286462 0.00424902 0.00444387
17.02609447 -7.81521270 -12.29857941
0.00023044 -0.00011188 0.00031109
0.01341394 -0.01175097 0.01275392
9.44710878 -4.64965169 4.91106952
-0.00007813 -0.00002410 -0.00030718
0.00730585 -0.00265760 -0.01399475
12.42326653 -4.70688657 5.77884881
-0.00087997 -0.00033925 0.00045876
-0.02078974 0.00488389 -0.01359194
-20.90497158 -0.36114137 24.87609478
-0.00000147 0.00073298 -0.00089027
-0.00544615 -0.00335400 -0.00243068
-20.01651852 2.13737106 26.16676826
0.00027473 0.00087700 -0.00014436
0.00389193 -0.01254515 -0.02049884
25.08191293 -2.32958262 -7.45321433
-0.00073994 -0.00037161 0.00027645
-0.01199222 0.01091197 0.00376409
24.19573794 -0.25896945 -9.40865209
-0.00008934 0.00035547 -0.00026543
-0.00337847 -0.00798588 0.00822805
12.46707752 -9.78387235 -9.72827206
0.00040391 -0.00109932 -0.00077047
0.01046353 0.00627809 0.02300212
12.21076761 -8.59473656 -12.32432847
0.00032213 0.00019520 0.00061566
0.01226542 0.01491057 -0.01304111
-9.47258805 -9.24845665 18.01414875
0.00005952 0.00012833 0.00026997
0.01071323 0.01327667 0.01745520
-11.25679082 -10.84470046 16.66376566
-0.00016221 0.00135030 -0.00044793
0.02296029 0.01247510 -0.00894033
8.61980695 1.39114351 -29.55427839
0.00028702 -0.00126374 -0.00088166
-0.00613171 -0.01300130 -0.00149744
5.68660597 1.17161753 -28.76731588
0.00035178 -0.00047326 0.00024078
0.00906454 -0.00604717 -0.00159035
12.43095818 19.47986502 12.50606182
0.00057612 0.00051261 -0.00049752
-0.01003291 0.03690559 0.01148925
14.20432578 17.66399812 11.39067607
-0.00016504 0.00008880 -0.00026562
0.02930863 -0.00677720 -0.01930627
27.58343288 7.52344425 -11.88664682
0.00021322 0.00028606 -0.00071642
-0.00626259 -0.00019647 0.01788893
26.16669442 8.00587680 -9.27639570
-0.00047298 -0.00062164 0.00023442
-0.00060394 -0.01061565 -0.01352513
-7.35023630 4.59745705 6.69570341
0.00028542 0.00004299 0.00004310
0.00102613 -0.00420645 -0.00588117
-9.12788193 8.77790412 3.84512476
0.00024447 -0.00003516 0.00006299
-0.00444475 0.00019682 -0.00577897
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07674300
0.32586072
434.19307637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.414 s
total exchange = -52.3404492035 (a.u.)
total exchange computation time: 3.0652811527 s
-154.0171494792
-931.40631045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.410 s
total exchange = -52.3402958835 (a.u.)
total exchange computation time: 3.0640459061 s
-154.0193045544
Anderson extrapolation: theta=1.3544087733 (1.3544087733)
-931.40652958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.413 s
total exchange = -52.3400097757 (a.u.)
total exchange computation time: 3.0645780563 s
-154.0227359015
Anderson extrapolation: theta=0.0532303530 (0.0532303530)
-931.40666110
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.412 s
total exchange = -52.3399320817 (a.u.)
total exchange computation time: 3.0642001629 s
-154.0233764431
Anderson extrapolation: theta=2.0209299367 (2.0000000000)
-931.40666629
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.415 s
total exchange = -52.3397612245 (a.u.)
total exchange computation time: 3.0644619465 s
-154.0247381747
Anderson extrapolation: theta=0.2461533991 (0.2461533991)
-931.40667212
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.414 s
total exchange = -52.3397197147 (a.u.)
total exchange computation time: 3.0636560917 s
-154.0250373096
Anderson extrapolation: theta=1.8351553426 (1.8351553426)
-931.40667335
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.408 s
total exchange = -52.3396665404 (a.u.)
total exchange computation time: 3.0641942024 s
-154.0253879549
Anderson extrapolation: theta=0.3105548598 (0.3105548598)
-931.40667486
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.415 s
total exchange = -52.3396727256 (a.u.)
total exchange computation time: 3.0676620007 s
-154.0253081292
Anderson extrapolation: theta=1.2634344224 (1.2634344224)
-931.40667525
71.721207 201.643302 -294.122615
548.989081 1079.009745 -415.482062
620.710287 1280.653047 -709.604677
1590.249127
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1564737696
ExchangeOperator: bisection time: 3.414 s
total exchange = -52.3396968846 (a.u.)
total exchange computation time: 3.0650851727 s
678.27332559
-1082.72437357
89.89986241
-389.78709087
-174.72870225
77.70086495
551.60419304
0.00000000
-931.40667557
3.93939453 -31.60890300 -3.82354054
-0.00032460 0.00026496 -0.00001715
-0.00212995 0.03107827 0.01035469
-11.11183664 2.26578128 -9.31651061
-0.00011125 -0.00011094 -0.00003125
-0.01051100 0.00637756 -0.02208462
-37.12879858 1.84221179 3.80803613
0.00000292 0.00012918 0.00026623
-0.00345207 0.01759364 -0.00952401
-7.74321853 -3.53859900 3.09977323
-0.00009301 -0.00007507 0.00007990
0.01240268 -0.00341415 -0.01126553
2.11496686 -0.20285660 9.66265752
0.00022377 0.00005391 0.00022038
0.02921743 -0.00707381 -0.02167807
-31.17261078 1.45901608 3.49246646
0.00002110 -0.00023234 0.00016759
-0.00428420 -0.01192383 -0.01250671
16.40702625 13.37585136 -17.78232972
0.00011016 -0.00001755 0.00019843
0.00036114 0.01019085 -0.00693633
-3.21809437 4.99527872 4.59305298
0.00009874 -0.00000247 -0.00037525
-0.00904795 -0.01344719 -0.01181808
4.89725921 17.34465834 -6.46307712
-0.00032483 -0.00002458 0.00007806
0.00674282 0.03125142 0.02864505
8.16578110 6.88630365 -21.03358816
0.00023181 0.00047731 -0.00025382
0.02739984 0.02141021 0.00817471
19.34734795 18.84709815 -5.38971955
0.00048712 -0.00011571 -0.00001939
0.02741160 0.04920384 0.00590228
2.11523462 14.76526269 -21.52091695
-0.00009242 0.00000421 0.00006694
-0.02499974 -0.02315816 0.01500884
10.49248318 -5.48944178 0.24804404
0.00000690 -0.00010825 -0.00021685
-0.02796996 -0.00500801 -0.03104374
-16.64705946 -5.47636542 4.97425810
0.00021473 -0.00006225 -0.00011486
0.00011303 -0.00025038 0.00360026
-14.31013938 -1.53216722 20.71375090
0.00015973 -0.00019937 0.00012863
-0.00729447 0.01806665 0.00092326
1.10689675 3.58726126 -4.67049434
-0.00035998 0.00007455 -0.00008334
0.01496570 0.03534612 0.00450433
21.05023832 -9.68568519 -3.97640228
-0.00004024 0.00012110 -0.00009694
-0.02852963 0.00107082 -0.00444614
2.88011283 -10.81029493 6.87945018
-0.00018542 0.00001735 -0.00007394
-0.02809135 0.01793087 -0.01461393
-1.71991093 -1.60501959 -19.67422159
0.00012797 -0.00001685 0.00032032
-0.00600590 0.02119714 0.03122029
-0.67751612 4.88531622 -11.23508532
0.00007865 0.00039410 -0.00029742
-0.05858259 -0.02938739 0.02275684
-4.91273762 15.47161886 13.46265579
-0.00003944 0.00006498 -0.00015522
-0.01871023 -0.02121438 -0.01382559
-4.98019613 3.02336598 -7.51454236
0.00016459 0.00006622 -0.00053019
-0.00735397 0.00091819 -0.00758268
-8.71054194 0.23040922 -4.59704036
0.00016434 -0.00016276 0.00004944
-0.02900964 0.02456820 0.04082910
2.89358430 27.92652381 5.77507166
0.00004750 -0.00016777 -0.00014695
0.02612835 -0.02073788 0.05763552
8.75183790 -9.85133617 -2.06542749
-0.00022408 0.00043121 -0.00008959
0.02702819 0.00649050 0.00019551
-6.55826543 1.30043977 9.64212986
0.00017345 -0.00002223 0.00032621
-0.00529681 -0.00941301 0.00540720
19.72576874 9.75510611 6.32309057
-0.00014203 -0.00036379 -0.00034145
0.04888388 0.01950546 -0.02397153
-3.37248291 0.73167629 -24.28266649
0.00006662 -0.00016143 -0.00001390
0.05631915 -0.01988551 0.03274830
-13.57475512 8.41297519 9.50589878
-0.00005794 0.00008901 0.00006876
-0.00313963 -0.00561153 -0.01010492
-13.89916707 5.84229447 -3.93604626
-0.00001517 -0.00029334 -0.00002537
0.00766181 -0.02175506 -0.01529767
-3.77395354 -15.19245930 21.09810533
-0.00012133 0.00018336 0.00014170
-0.00537141 -0.01723094 -0.02043709
-6.08531599 8.40238161 -6.86620001
-0.00032453 0.00034604 0.00041607
0.00424844 -0.00296627 -0.00605004
-19.77993446 30.17998761 1.10175017
0.00008445 0.00008284 0.00019437
0.01141034 0.00234195 0.02072278
10.43304264 3.53017327 8.15776670
-0.00016917 0.00025849 0.00012731
-0.02379358 -0.00602560 -0.02295595
7.49750755 16.49829898 -11.67448296
-0.00008210 -0.00002316 -0.00009418
-0.00217572 -0.01554691 0.01263156
13.94367150 4.62426161 -0.92422820
0.00022885 -0.00013599 0.00025411
0.00902573 0.00428441 -0.04248020
-5.47122640 11.99577663 -1.33054417
-0.00031546 -0.00009132 0.00004709
0.04201498 -0.04085349 -0.02064536
8.10936631 12.01297585 5.02017122
0.00028527 -0.00058112 -0.00012367
-0.00075102 0.03628823 -0.00763383
19.82295112 -11.25018370 -10.26536283
0.00007320 0.00007971 -0.00033244
-0.00813282 -0.01831742 0.00818553
18.99446866 -5.98516521 -0.32195594
0.00032133 0.00017244 0.00008241
0.01569057 0.01351823 -0.02021939
16.06868850 7.75549113 9.57513141
-0.00013145 -0.00018917 -0.00002724
0.00046516 -0.01121268 0.01410395
4.00154156 -14.41309404 16.53484859
-0.00033071 -0.00023591 0.00030459
0.00068324 -0.00834716 -0.01676552
-3.26119425 -2.35627649 -13.64381354
-0.00053599 -0.00025627 -0.00027533
-0.03016385 -0.01839727 -0.01065616
16.02201654 -6.94941442 -13.49260409
0.00027673 0.00056837 0.00031397
-0.01266204 0.01969233 -0.00676608
10.67222592 -4.27841989 6.19058583
0.00010141 -0.00014407 0.00030794
-0.00806394 0.00260915 0.03229256
-19.56276134 0.87120207 24.85341761
-0.00000976 -0.00019873 0.00026518
0.00528927 0.02512957 0.02166582
24.04252211 -0.78206698 -7.60902244
0.00012506 -0.00008401 0.00023870
0.00344566 0.00216197 -0.00970108
11.52764068 -9.84856654 -11.24647145
-0.00015285 0.00014161 -0.00000574
-0.02094252 -0.01996206 -0.00578778
-9.65522930 -9.90258575 16.36301101
-0.00020230 -0.00007751 0.00044519
-0.02461181 -0.02301938 -0.00881340
7.36209852 0.44421028 -28.49063672
-0.00011136 -0.00030658 -0.00020562
0.00044070 0.01160581 -0.00038286
12.63918890 17.76005911 12.20998082
-0.00019017 -0.00016174 0.00004980
-0.01943131 -0.02139049 0.01031022
25.92995185 7.31173234 -11.00904629
-0.00009056 0.00004586 -0.00014634
0.01794253 0.01485766 -0.00274616
4.13822566 -29.98179252 -4.76670129
-0.00155631 0.00013670 0.00023266
0.00071899 -0.01411925 0.00354876
3.45628210 -30.87573966 -2.11975413
0.00003903 0.00047354 0.00002294
0.00151722 -0.00961367 -0.01380296
-10.07455500 3.51092723 -8.49356523
0.00111581 0.00044923 -0.00012783
0.00170977 -0.00023698 -0.00171855
-11.43722497 2.85922933 -11.15589164
0.00024917 -0.00020025 -0.00030484
0.00287661 -0.00962559 0.02634582
-37.51974931 3.63860678 3.31297532
0.00094172 -0.00012576 -0.00015811
0.00592069 -0.03237343 0.00361507
-38.69401063 0.83724963 3.39152280
-0.00131876 0.00005755 -0.00020899
0.01140941 0.01899698 0.00759734
-8.76033161 -3.86552877 1.59014232
0.00046081 0.00051419 -0.00042687
-0.00422830 -0.00870003 0.00590689
-6.35832703 -4.72912198 2.92942223
-0.00011250 0.00013592 -0.00094491
-0.00298116 0.00335649 -0.00021324
3.59007785 -1.23400849 9.09341373
-0.00085464 0.00060065 0.00019119
-0.02209417 0.01621849 0.00741016
2.35080736 1.43267135 8.82969940
-0.00005957 -0.00005047 -0.00143975
-0.00570225 -0.00825227 0.00505288
-30.80570929 -0.37584245 3.51573377
-0.00095941 0.00069833 0.00020251
0.00868753 0.01027482 0.00365493
-32.94436555 1.43656562 3.01897148
-0.00052297 0.00006134 -0.00043627
-0.00301968 0.00598657 0.00559863
15.00311243 12.18431454 -17.93341521
-0.00068301 -0.00181757 -0.00122461
0.00373032 -0.00606622 -0.00476262
17.82896676 12.39976209 -17.16246865
0.00044169 0.00030629 0.00018724
0.00173411 -0.01347576 -0.00275149
-2.88286675 6.66356511 5.22122054
-0.00053333 -0.00042408 0.00026317
0.00527904 0.01294487 0.01004414
-3.39759039 5.35826703 2.81401858
-0.00130296 0.00046973 -0.00105230
0.00218071 -0.00489567 -0.00389822
5.30147363 16.60871754 -8.01410773
0.00124130 -0.00008242 -0.00034625
0.01242552 -0.01422126 -0.03931171
6.13481342 18.76510215 -6.34029020
0.00040877 0.00097905 0.00007923
-0.01084922 -0.01819321 0.00354454
8.36936377 6.68956271 -22.84759802
0.00040867 0.00000519 -0.00008218
-0.00607748 -0.01084064 -0.00700272
9.86099758 7.59149392 -20.49643677
0.00023467 -0.00001366 0.00132592
-0.02796785 -0.01128370 0.00326506
19.19465756 20.22143265 -4.05094981
0.00081319 0.00004812 0.00104618
-0.00882120 -0.02158854 -0.01317507
20.55149510 19.86951984 -6.46653858
0.00062667 0.00005337 -0.00073320
-0.01505759 -0.02679896 0.01014759
1.74239839 13.19859835 -20.60670275
-0.00012270 -0.00038649 -0.00069785
0.01871928 0.00205707 -0.00000158
0.29330364 15.13602525 -21.73815156
0.00057718 -0.00036895 0.00032181
0.00399966 0.01942509 -0.01334441
9.84012293 -7.03974944 -0.69323321
-0.00031708 -0.00027332 0.00021715
0.01413093 0.02511337 0.01857416
9.40954879 -4.10153860 -0.51323134
-0.00042915 -0.00040503 0.00003530
0.01709068 -0.01845718 0.01311502
-17.24934472 -6.10963478 6.57049319
0.00048673 -0.00074067 -0.00007835
0.00402810 -0.00110709 0.00744159
-17.93501016 -6.02883453 3.81933293
-0.00078378 0.00096662 -0.00069411
-0.00348656 0.00167227 -0.01212999
-14.62083660 -0.50488146 19.20657013
0.00040699 -0.00002620 -0.00138221
0.00380909 -0.00734146 -0.00249452
-14.89334111 -0.44533881 22.07433009
-0.00039462 0.00056022 0.00019516
0.00297173 -0.00554382 0.00061255
-0.23660900 3.44130478 -3.46800553
0.00044686 -0.00060910 -0.00033513
-0.00601813 -0.01504630 -0.00156334
1.15837914 2.26608408 -5.89247989
-0.00058394 0.00035131 -0.00055901
-0.00861815 -0.02174670 -0.00092932
20.39385445 -9.11913153 -5.58617022
0.00078360 0.00005899 0.00029465
-0.00080525 -0.00452236 0.00053710
22.77254204 -10.03042319 -4.29273308
-0.00133825 0.00131454 -0.00093746
0.02496875 -0.00011854 -0.00371212
4.38273714 -11.23960989 6.00891660
0.00150486 -0.00054968 -0.00042850
0.02228700 -0.00309661 -0.00536151
2.81896092 -11.71372994 8.41562897
-0.00126500 -0.00011097 0.00021417
0.00595987 -0.00948534 0.02258415
-2.32541321 -3.20756788 -20.17705592
-0.00165768 -0.00056470 -0.00005207
-0.00748731 -0.02883741 -0.01511714
-2.39594374 -1.39986565 -17.93978717
-0.00050909 -0.00040133 0.00002507
0.00564463 0.00154407 -0.01857571
0.98528686 5.44643664 -11.11726939
0.00051745 0.00013818 0.00040388
0.04070087 0.01166324 0.00963372
-1.19211940 4.03069129 -9.61871354
0.00111922 -0.00018850 0.00103269
0.01160211 0.01830919 -0.02877936
-3.91957582 16.10253248 14.78419178
0.00070960 0.00029174 0.00079991
0.01763060 0.02106085 0.02322259
-6.60558834 15.52797732 14.14329207
-0.00036416 0.00042301 -0.00062737
-0.00053296 0.00222878 -0.00037623
-5.87030485 1.77336086 -6.51790689
0.00016399 0.00036846 0.00050081
0.00205785 -0.00315073 0.00237999
-5.59610297 2.65044565 -9.22423533
-0.00079962 -0.00047121 -0.00059055
0.00572543 -0.00153788 0.00057723
-9.71128363 -1.17396416 -3.87009179
-0.00009149 -0.00049459 -0.00007897
0.01355085 0.01541793 -0.01059559
-9.35776464 1.76714104 -3.59109721
-0.00024055 -0.00119723 0.00066733
0.01697075 -0.03612275 -0.02359481
2.25222542 29.02401186 4.59435493
0.00052649 0.00095558 0.00024668
-0.02386206 0.02840176 -0.04605927
3.02666084 28.99846265 7.28556712
-0.00051632 -0.00012281 0.00006655
-0.00357041 -0.01886213 -0.01217736
7.24588519 -9.90006017 -3.06466584
0.00135747 -0.00098086 -0.00014334
-0.01911211 -0.00292522 0.00097636
8.66712663 -11.03672443 -0.70437258
0.00038742 0.00058201 -0.00043352
-0.00750509 -0.00791991 0.00394309
-5.29173720 -0.06529230 9.20180654
0.00127862 -0.00027456 0.00042607
-0.01706092 0.00901823 0.00723551
-8.22583534 0.59761173 10.09763827
0.00004710 0.00138054 0.00012081
0.02469363 0.00254823 -0.00809696
19.53253602 9.34409696 8.07989047
-0.00049758 -0.00028554 0.00000143
-0.00248896 0.00195628 0.00958703
21.57804822 10.28844877 6.04554248
0.00079753 0.00060557 -0.00095685
-0.04091808 -0.01218124 0.01300982
-2.75305422 0.06986695 -22.56392843
-0.00045059 0.00071180 -0.00092453
-0.01387172 0.01578001 -0.03104023
-5.10533027 0.94978987 -24.10761702
-0.00113699 -0.00021040 0.00017199
-0.03896325 0.00216551 0.00157884
-12.43531469 9.39376582 10.57198692
-0.00036912 -0.00017191 0.00070213
-0.00172347 0.00406981 -0.00538794
-13.58680392 9.38739402 7.93511416
0.00037878 0.00012019 -0.00044056
-0.00005668 0.00186341 0.00506274
-13.94042498 4.15550411 -4.73645338
0.00052619 0.00089488 0.00019997
0.00412140 0.01517469 0.01553212
-15.38332213 6.61471924 -4.70366063
0.00096416 0.00129838 -0.00070264
-0.00628680 0.00679023 0.00303520
-5.39995902 -16.15692425 21.10215544
0.00058449 -0.00012764 0.00044536
0.00907773 0.00838866 0.00591379
-3.18917776 -15.67126930 19.40547136
0.00000749 0.00005362 0.00014834
0.00229825 0.00805997 0.01402571
-6.19401127 6.68901369 -6.27225474
-0.00109276 -0.00044021 0.00003954
0.00422119 -0.00627579 -0.00229526
-6.90517200 9.44725892 -5.62767953
-0.00025823 -0.00050444 0.00090127
-0.00696357 0.00812430 -0.00020741
-20.43435104 30.93683513 -0.39175297
-0.00050044 0.00046743 0.00021080
0.00225694 0.00423167 -0.00735251
-18.02366295 30.68836241 1.41079395
-0.00084618 0.00031630 -0.00016599
-0.01085650 -0.00593624 -0.01400433
9.30009425 2.66891223 6.86206971
-0.00061823 -0.00004455 -0.00095676
0.01786604 0.01335181 0.02098231
9.74135232 5.23280751 8.38850365
0.00124019 -0.00072083 0.00006301
-0.00083645 -0.00046956 -0.00139786
8.51554004 17.31855326 -12.93022738
0.00056729 0.00092500 0.00079515
0.00764940 0.01167217 -0.01289448
8.75068177 15.26607509 -11.09373689
0.00008319 0.00032994 -0.00049722
-0.01010726 0.00366526 0.00112742
13.05916116 6.06601070 -0.30113175
-0.00128268 0.00021745 0.00096930
-0.00606404 0.00214216 0.01493498
14.15055255 3.36607638 0.32708010
0.00084486 0.00003468 0.00002015
-0.00730994 -0.01184126 0.03324158
-3.94793428 11.13676505 -2.23857481
-0.00074834 0.00006653 -0.00077396
-0.03450383 0.03508909 0.01030192
-5.57009876 10.61257468 -0.14235126
0.00063228 -0.00069109 -0.00032148
-0.01530024 0.00290804 0.01071249
7.99171651 13.95852568 4.76001115
-0.00002565 -0.00114441 -0.00014684
0.00453304 -0.05266212 0.00709990
9.73617967 11.35909379 4.40891752
0.00058811 0.00011796 0.00024875
-0.00636374 0.00855757 0.00111799
18.32451031 -11.87825445 -9.32605074
0.00062712 0.00028334 -0.00030409
0.01845305 0.01029880 -0.00427604
20.71315049 -12.83558786 -10.57796352
-0.00106072 0.00103288 -0.00012529
-0.00188781 0.00473561 0.00451806
19.23194410 -5.68372429 -2.18818741
-0.00091549 0.00094269 0.00027937
-0.00351504 -0.00425453 0.03253661
18.19490501 -7.66427646 -0.20873458
-0.00013833 -0.00014280 0.00002710
-0.00562035 0.00085916 -0.00656876
15.40969202 9.43343314 9.56165113
-0.00018943 0.00023689 -0.00053089
-0.00757258 0.00869463 -0.00321405
16.19119845 7.37091850 11.37525338
0.00077187 -0.00000158 0.00039304
-0.00045613 0.00132215 -0.00806613
2.62728482 -15.61733727 16.80224239
0.00010429 -0.00109417 0.00015055
-0.00112431 -0.00674088 0.00481065
3.49925065 -12.78701321 17.10864662
0.00106064 0.00005071 -0.00036075
-0.00229973 0.01627638 0.00722953
-4.09066023 -4.07044246 -13.42753628
-0.00007387 -0.00074202 -0.00017605
0.01578309 0.01981381 -0.00266187
-1.52659906 -2.33352791 -13.18602605
-0.00037913 0.00024468 -0.00050706
0.01222394 -0.00378307 0.00819484
16.08686087 -7.76504797 -15.19829591
0.00005593 0.00016552 0.00030227
0.00248096 0.00456365 0.00461388
17.02996215 -7.81725097 -12.29352226
0.00028176 -0.00015672 0.00035962
0.01170592 -0.01019764 0.01100046
9.44616070 -4.65009462 4.90603304
-0.00004288 -0.00003303 -0.00035739
0.00994889 -0.00171544 -0.01058436
12.40942994 -4.71182573 5.78531366
-0.00095121 -0.00032239 0.00040062
-0.01408600 0.00337291 -0.01486454
-20.90516053 -0.35024944 24.86266620
-0.00003171 0.00071266 -0.00089865
-0.00935873 -0.00659098 -0.00166773
-20.01227825 2.15014166 26.16397466
0.00029021 0.00082190 -0.00023080
0.00368393 -0.01442775 -0.02181388
25.07044628 -2.33482246 -7.44895224
-0.00078597 -0.00033000 0.00029128
-0.01053560 0.00945686 0.00349447
24.19429430 -0.25388206 -9.41238140
-0.00010286 0.00031998 -0.00022531
-0.00323848 -0.00938609 0.01141197
12.47345678 -9.80016981 -9.73912431
0.00045002 -0.00107417 -0.00067085
0.01210964 0.00603496 0.02576584
12.21597548 -8.59135165 -12.31549319
0.00037267 0.00025760 0.00056067
0.01247328 0.01563580 -0.01387675
-9.47136697 -9.24612485 18.01873312
0.00010298 0.00018207 0.00034134
0.01055835 0.01303144 0.01748085
-11.25852033 -10.82406371 16.65677281
-0.00007769 0.00139527 -0.00048195
0.01841062 0.00953860 -0.00771285
8.62392431 1.37178896 -29.56754912
0.00026048 -0.00131589 -0.00088617
-0.00685635 -0.01252255 -0.00070979
5.69216043 1.16433331 -28.76375286
0.00038153 -0.00049432 0.00023242
0.00549825 -0.00426048 -0.00250296
12.43929259 19.48868509 12.49895109
0.00053573 0.00065304 -0.00045207
-0.00974014 0.03183734 0.01076002
14.20274821 17.66512248 11.38610022
-0.00004863 0.00006002 -0.00034321
0.02767596 -0.00730951 -0.01867610
27.58643926 7.52772906 -11.89684499
0.00018271 0.00028496 -0.00063909
-0.00867088 -0.00034041 0.01996599
26.15958118 7.99622684 -9.27329385
-0.00047420 -0.00066443 0.00017829
0.00000660 -0.01032591 -0.01394915
-7.34595222 4.59809065 6.69633409
0.00028581 0.00004143 0.00004101
0.00111634 -0.00452271 -0.00578045
-9.12422255 8.77737713 3.84605948
0.00024344 -0.00003511 0.00006165
-0.00443113 0.00018608 -0.00573889
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07672575
0.32994981
439.64158408
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.044 s
total exchange = -52.3285705982 (a.u.)
total exchange computation time: 2.9453499317 s
-153.9709906499
-931.40839648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.047 s
total exchange = -52.3285895104 (a.u.)
total exchange computation time: 2.9435582161 s
-153.9717483424
Anderson extrapolation: theta=1.3590373668 (1.3590373668)
-931.40860181
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.044 s
total exchange = -52.3285255573 (a.u.)
total exchange computation time: 2.9450969696 s
-153.9733673305
Anderson extrapolation: theta=0.0524574591 (0.0524574591)
-931.40872489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.050 s
total exchange = -52.3284486513 (a.u.)
total exchange computation time: 2.9447000027 s
-153.9739763355
Anderson extrapolation: theta=1.9577168009 (1.9577168009)
-931.40872937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.046 s
total exchange = -52.3282721892 (a.u.)
total exchange computation time: 2.9438250065 s
-153.9753048305
Anderson extrapolation: theta=0.2208232635 (0.2208232635)
-931.40873397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.044 s
total exchange = -52.3282233652 (a.u.)
total exchange computation time: 2.9445140362 s
-153.9756198672
Anderson extrapolation: theta=1.8838382471 (1.8838382471)
-931.40873481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.046 s
total exchange = -52.3281458164 (a.u.)
total exchange computation time: 2.9455180168 s
-153.9760660799
Anderson extrapolation: theta=0.2844612043 (0.2844612043)
-931.40873577
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.047 s
total exchange = -52.3281389733 (a.u.)
total exchange computation time: 2.9461030960 s
-153.9760497481
Anderson extrapolation: theta=1.3098104369 (1.3098104369)
-931.40873600
71.750990 201.633919 -294.211385
548.957307 1079.029069 -415.525733
620.708297 1280.662987 -709.737118
1590.315457
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1568631693
ExchangeOperator: bisection time: 4.132 s
total exchange = -52.3281414157 (a.u.)
total exchange computation time: 2.9439070225 s
678.09408657
-1082.33167136
89.91136577
-390.05589633
-174.69847939
77.48235389
551.60419304
0.00000000
-931.40873615
3.93451738 -31.60480879 -3.82375778
-0.00032588 0.00028054 -0.00001154
-0.00284681 0.02953051 0.01144418
-11.11354593 2.26414182 -9.31706455
-0.00011539 -0.00010626 -0.00004180
-0.00558640 0.01182520 -0.01895742
-37.12876802 1.84421742 3.81199285
0.00000016 0.00013694 0.00026115
-0.00731913 0.01256318 -0.01022790
-7.74456590 -3.53973816 3.10092830
-0.00008669 -0.00007683 0.00007386
0.01218420 -0.00345473 -0.01224161
2.11843612 -0.20207518 9.66587958
0.00023742 0.00005238 0.00020914
0.02386289 0.00112563 -0.02202168
-31.17231087 1.45548493 3.49493206
0.00001716 -0.00023670 0.00016080
-0.01101051 -0.00503065 -0.01389782
16.40868007 13.37562738 -17.77938009
0.00010816 -0.00001424 0.00019464
-0.00813863 0.00268052 -0.00778973
-3.21664818 4.99518977 4.58737860
0.00009370 -0.00000971 -0.00038314
-0.01056543 -0.01469778 -0.01885593
4.89241278 17.34441012 -6.46179573
-0.00031974 -0.00000799 0.00009104
0.01303876 0.03328481 0.02184166
8.16936391 6.89354585 -21.03736393
0.00024595 0.00048825 -0.00024909
0.02758650 0.02114638 0.01021507
19.35476042 18.84555228 -5.38998756
0.00050155 -0.00008957 -0.00001605
0.02873038 0.05245037 0.00708082
2.11375190 14.76523657 -21.51985489
-0.00010413 -0.00000794 0.00007480
-0.02054148 -0.02410677 0.01552668
10.49247879 -5.49108487 0.24467154
-0.00000743 -0.00011101 -0.00023265
-0.02775769 -0.00573810 -0.03038514
-16.64383807 -5.47730015 4.97254908
0.00021367 -0.00006292 -0.00011374
-0.00425427 -0.00236621 0.00075245
-14.30777151 -1.53508803 20.71568398
0.00015530 -0.00018828 0.00012821
-0.00992812 0.02502939 -0.00257449
1.10155476 3.58851588 -4.67172703
-0.00035125 0.00009250 -0.00008228
0.01900622 0.03443305 -0.00038798
21.04952472 -9.68386458 -3.97787349
-0.00005703 0.00012183 -0.00009799
-0.03676618 0.00176597 0.00034603
2.87722316 -10.80996557 6.87828476
-0.00019683 0.00002535 -0.00008265
-0.01628621 0.01317428 -0.01928700
-1.71801455 -1.60519056 -19.66929643
0.00012388 -0.00000859 0.00033544
-0.00989202 0.01093258 0.02760715
-0.67656230 4.89111444 -11.23945879
0.00004948 0.00037862 -0.00028407
-0.05485986 -0.03081503 0.02915855
-4.91340145 15.47251170 13.46027412
-0.00004753 0.00005508 -0.00016017
-0.01274245 -0.01726037 -0.00542462
-4.97775560 3.02436288 -7.52252448
0.00016018 0.00006612 -0.00053430
-0.00980642 -0.00133309 -0.00839032
-8.70818877 0.22806262 -4.59614132
0.00014920 -0.00015102 0.00007055
-0.02986736 0.02106111 0.04126583
2.89439762 27.92392731 5.77308972
0.00006043 -0.00017755 -0.00011795
0.02413379 -0.01728783 0.05514459
8.74858103 -9.84484293 -2.06677064
-0.00020822 0.00043509 -0.00008860
0.03463092 0.00858423 0.00368462
-6.55568411 1.30007007 9.64704389
0.00017225 -0.00002697 0.00032860
0.00062544 -0.00903137 0.00386567
19.72382688 9.74972450 6.31787629
-0.00011589 -0.00035345 -0.00035341
0.05277313 0.02068521 -0.02250681
-3.37126636 0.72917819 -24.28274867
0.00009182 -0.00017062 0.00000178
0.04166280 -0.01586078 0.02824485
-13.57563631 8.41428864 9.50689123
-0.00005955 0.00008648 0.00006301
-0.00313255 -0.00422777 -0.01225767
-13.89936502 5.83781040 -3.93648576
-0.00001131 -0.00030231 -0.00003237
0.00734547 -0.01311843 -0.01192477
-3.77579418 -15.18977536 21.10015196
-0.00012345 0.00017478 0.00013116
-0.00286701 -0.01614263 -0.02053981
-6.09016749 8.40756083 -6.85998237
-0.00032226 0.00034295 0.00041326
0.00456278 -0.00906604 -0.00487461
-19.77862373 30.18123931 1.10474562
0.00008846 0.00008398 0.00020399
0.00420403 0.00207103 0.01669439
10.43041328 3.53402733 8.15958779
-0.00018103 0.00025235 0.00011428
-0.02231364 -0.01783376 -0.02772466
7.49626768 16.49789165 -11.67584700
-0.00008316 -0.00003062 -0.00008819
-0.00194274 -0.01347736 0.01067460
13.94713905 4.62223825 -0.92058044
0.00023209 -0.00013147 0.00023300
0.00359627 0.01328509 -0.03962205
-5.47579618 11.99424929 -1.32991744
-0.00029394 -0.00011247 0.00003663
0.04166061 -0.04141183 -0.02005086
8.11364243 12.00439905 5.01828674
0.00028479 -0.00056307 -0.00012746
-0.00111408 0.03388539 -0.00711808
19.82401777 -11.24905875 -10.27031783
0.00006830 0.00007265 -0.00032811
-0.01093463 -0.00912514 0.00863413
18.99934913 -5.98252650 -0.32079778
0.00032879 0.00017865 0.00007250
0.01331108 0.01065646 -0.01832249
16.06671850 7.75261028 9.57477724
-0.00013140 -0.00019426 -0.00001937
-0.00026451 -0.00854995 0.01647849
3.99658350 -14.41666489 16.53935271
-0.00032993 -0.00024113 0.00029559
0.00234567 -0.01196278 -0.01822560
-3.26935042 -2.36019155 -13.64798452
-0.00055117 -0.00026579 -0.00028066
-0.02885889 -0.01861312 -0.01007516
16.02611859 -6.94081291 -13.48792061
0.00027086 0.00057791 0.00031087
-0.01016191 0.01738730 -0.00529232
10.67371604 -4.28057086 6.19532944
0.00009477 -0.00014256 0.00032402
-0.01777344 0.00325671 0.03023948
-19.56288734 0.86831811 24.85747890
-0.00000594 -0.00018465 0.00027644
0.00956408 0.02959800 0.02210880
24.04441129 -0.78331879 -7.60547933
0.00012640 -0.00008212 0.00023301
0.00176382 0.00518009 -0.01244519
11.52526721 -9.84651942 -11.24657982
-0.00016380 0.00013145 -0.00000908
-0.02165875 -0.01955499 -0.00722917
-9.65835881 -9.90383722 16.36965492
-0.00021347 -0.00008833 0.00044049
-0.01881975 -0.01905610 -0.00947551
7.36042977 0.43965641 -28.49372256
-0.00010994 -0.00030125 -0.00020568
0.00509554 0.00912396 0.00017507
12.63626135 17.75755057 12.21076759
-0.00019957 -0.00017100 0.00005500
-0.01710576 -0.01462596 0.00991852
25.92866269 7.31247763 -11.01125195
-0.00008091 0.00005347 -0.00014813
0.01955989 0.01472772 -0.00422896
4.11490308 -29.98017473 -4.76310265
-0.00155122 0.00008240 0.00024401
0.00177364 -0.01246003 0.00200645
3.45691400 -30.86893119 -2.11983299
0.00004526 0.00043296 -0.00003344
0.00153281 -0.01025145 -0.01379491
-10.05776552 3.51765835 -8.49553539
0.00111289 0.00043679 -0.00014180
-0.00313816 -0.00585244 -0.00511598
-11.43339927 2.85593057 -11.15965699
0.00026018 -0.00023966 -0.00019669
0.00251224 -0.00966165 0.02659814
-37.50544206 3.63572835 3.31071447
0.00096405 -0.00025330 -0.00014436
0.00500796 -0.03005617 0.00311689
-38.71344247 0.83869495 3.38862074
-0.00126285 0.00014087 -0.00017544
0.01596270 0.02178821 0.00882437
-8.75354904 -3.85808255 1.58392027
0.00044279 0.00047940 -0.00040201
-0.00459113 -0.00833078 0.00626084
-6.36010586 -4.72698037 2.91524201
-0.00012352 0.00014874 -0.00094445
-0.00241240 0.00292149 0.00044209
3.57658116 -1.22450177 9.09650867
-0.00093250 0.00065711 0.00021742
-0.01601783 0.01141963 0.00542999
2.34973914 1.43166140 8.80825792
-0.00008468 -0.00009108 -0.00141402
-0.00658991 -0.01162322 0.00754501
-30.81983425 -0.36505258 3.51888342
-0.00092011 0.00072590 0.00021810
0.01055117 0.00321976 0.00397859
-32.95230260 1.43766919 3.01259906
-0.00052568 0.00008639 -0.00041078
0.00169201 0.00627336 0.00687574
14.99298159 12.15686514 -17.95193024
-0.00064865 -0.00182659 -0.00124056
0.01308771 0.00164814 -0.00304853
17.83564527 12.40394355 -17.15974440
0.00044705 0.00025140 0.00017544
0.00089076 -0.01339405 -0.00302287
-2.89070488 6.65760055 5.22547588
-0.00051055 -0.00036721 0.00030407
0.00587188 0.01489626 0.00997540
-3.41706799 5.36516296 2.79811466
-0.00129169 0.00044832 -0.00105386
0.00333690 -0.00558634 0.00313466
5.32047389 16.60704552 -8.02050604
0.00128840 -0.00013417 -0.00049265
0.01063175 -0.01111346 -0.03235538
6.14061252 18.77923044 -6.33899312
0.00035476 0.00089483 0.00009323
-0.01558890 -0.02303625 0.00330680
8.37530754 6.68930843 -22.84904532
0.00038555 -0.00003830 -0.00011136
-0.00523674 -0.01044891 -0.00727860
9.86366055 7.59094325 -20.47644786
0.00011835 -0.00006018 0.00133541
-0.02897179 -0.01148853 0.00138005
19.20658513 20.22149288 -4.03566085
0.00077850 -0.00004459 0.00098499
-0.00815932 -0.02379007 -0.01677534
20.56043370 19.86949925 -6.47722567
0.00056131 -0.00005798 -0.00068694
-0.01693512 -0.02770855 0.01249678
1.74113150 13.19286408 -20.61717049
-0.00004557 -0.00037895 -0.00069692
0.01903830 0.00163377 0.00045421
0.30208393 15.13108624 -21.73373331
0.00058407 -0.00028632 0.00026577
-0.00062664 0.02102297 -0.01409002
9.83579969 -7.04307963 -0.68940674
-0.00025921 -0.00017045 0.00029238
0.01420041 0.02524020 0.01824768
9.40363521 -4.10817967 -0.51229992
-0.00035983 -0.00047882 0.00008826
0.01684528 -0.01766396 0.01281004
-17.24192040 -6.12077876 6.56954592
0.00050342 -0.00074424 -0.00005110
0.00414470 -0.00063849 0.00590118
-17.94687375 -6.01428405 3.80854962
-0.00078937 0.00097662 -0.00073470
0.00075388 0.00322383 -0.00774043
-14.61461502 -0.50549948 19.18576060
0.00042480 -0.00006471 -0.00137772
0.00490969 -0.01150890 0.00469107
-14.89916941 -0.43710539 22.07727619
-0.00037936 0.00053220 0.00018953
0.00450078 -0.00817346 -0.00336418
-0.23009057 3.43170729 -3.47308045
0.00041355 -0.00067072 -0.00033340
-0.01028778 -0.01512187 0.00241284
1.14935600 2.27068738 -5.90089353
-0.00061835 0.00026438 -0.00056102
-0.00822717 -0.02080935 -0.00005361
20.40558374 -9.11838532 -5.58173396
0.00077282 0.00004470 0.00028828
-0.00446928 -0.00247035 -0.00365915
22.75323342 -10.01070874 -4.30690873
-0.00121213 0.00130797 -0.00095355
0.03676551 -0.00309463 -0.00416317
4.40599298 -11.24795004 6.00232481
0.00157053 -0.00055570 -0.00043461
0.00985788 0.00015326 0.00236994
2.80016852 -11.71568520 8.41953363
-0.00123936 -0.00014677 0.00030007
0.00659019 -0.00803732 0.01946322
-2.35050791 -3.21692201 -20.17830019
-0.00168015 -0.00066278 -0.00010905
-0.00351045 -0.01917295 -0.01277329
-2.40340711 -1.40583836 -17.93998031
-0.00048572 -0.00039374 -0.00004863
0.00579317 0.00217394 -0.01750146
0.99429585 5.44886674 -11.11091600
0.00067558 0.00018384 0.00044064
0.03670172 0.01068887 0.00836344
-1.17497555 4.02842490 -9.60410500
0.00116649 -0.00010876 0.00090418
0.01153563 0.02072347 -0.03412998
-3.90839160 16.10755397 14.79690210
0.00076697 0.00036947 0.00087782
0.01045415 0.01698810 0.01491501
-6.61106708 15.53439084 14.13387005
-0.00036382 0.00043248 -0.00062854
0.00070044 0.00240254 -0.00020091
-5.86778197 1.77879119 -6.51032184
0.00017506 0.00035916 0.00050678
0.00336312 -0.00139983 0.00054227
-5.60792183 2.64333035 -9.23307585
-0.00077371 -0.00047669 -0.00058288
0.00695987 -0.00114340 0.00317660
-9.71224067 -1.18091056 -3.87160097
-0.00003365 -0.00042991 -0.00012424
0.01475748 0.01624495 -0.01156586
-9.36085281 1.74807562 -3.58181028
-0.00017196 -0.00133932 0.00057210
0.01660222 -0.03343161 -0.02302187
2.25939160 29.03921585 4.59664380
0.00043232 0.00106594 0.00006339
-0.02223539 0.02561926 -0.04366318
3.01880665 28.99604251 7.28619222
-0.00053030 -0.00020159 0.00001704
-0.00327295 -0.01970319 -0.01205966
7.26566156 -9.91486266 -3.06678601
0.00126317 -0.00099278 -0.00015070
-0.02704833 -0.00291340 -0.00458209
8.67270802 -11.02823704 -0.71075455
0.00035694 0.00054530 -0.00041286
-0.00741550 -0.01004585 0.00617038
-5.27308077 -0.06913430 9.20841935
0.00120173 -0.00023422 0.00045723
-0.02057304 0.01072619 0.00801473
-8.22437223 0.61839795 10.09920236
0.00014279 0.00138580 0.00008908
0.02214863 0.00002551 -0.00743572
19.52499608 9.33987377 8.08020572
-0.00050550 -0.00027582 0.00003454
-0.00139065 0.00280103 0.00662101
21.58875727 10.29715909 6.03158843
0.00062064 0.00055179 -0.00090025
-0.04567007 -0.01414716 0.01469575
-2.76023810 0.08102754 -22.57874761
-0.00050222 0.00077111 -0.00103912
-0.01140073 0.01325203 -0.02504991
-5.12357909 0.94670016 -24.10498885
-0.00127121 -0.00020494 0.00017522
-0.02673860 0.00050828 0.00000280
-12.44090425 9.39131183 10.58235383
-0.00037703 -0.00015524 0.00067843
-0.00215262 0.00409283 -0.00621715
-13.58112397 9.38925401 7.92866097
0.00037900 0.00012506 -0.00041362
0.00016714 0.00051943 0.00812246
-13.93240584 4.16939225 -4.73297788
0.00054149 0.00094241 0.00025556
0.00336568 0.00809233 0.01167817
-15.36905233 6.63440297 -4.71410729
0.00094009 0.00132255 -0.00068947
-0.00549696 0.00504328 0.00341457
-5.39091345 -16.15858183 21.10901702
0.00061619 -0.00009549 0.00046916
0.00643575 0.00735183 0.00573856
-3.18899498 -15.67021806 19.40812629
0.00001677 0.00008685 0.00020601
0.00224337 0.00820814 0.01420309
-6.21027329 6.68221823 -6.27173194
-0.00107428 -0.00045601 0.00002622
0.00482531 -0.00145682 -0.00422786
-6.90925881 9.43994132 -5.61416684
-0.00028791 -0.00046891 0.00090189
-0.00756361 0.00926496 0.00051115
-20.44178848 30.94397626 -0.38881622
-0.00048911 0.00048183 0.00018628
0.00328770 0.00281729 -0.00465167
-18.03668825 30.69292497 1.40787489
-0.00087793 0.00029560 -0.00022091
-0.00468613 -0.00419724 -0.01287937
9.29136831 2.66865315 6.84836131
-0.00053981 0.00001513 -0.00086369
0.02052136 0.01586200 0.02457228
9.75992956 5.22198060 8.38940596
0.00122802 -0.00070448 0.00005910
-0.00512035 0.00847749 -0.00051769
8.52428378 17.33278599 -12.91869527
0.00059574 0.00097156 0.00074458
0.00627888 0.01111874 -0.01185982
8.75161989 15.27113650 -11.10116068
0.00004403 0.00034152 -0.00049067
-0.00906247 0.00200300 0.00208238
13.03973512 6.06933815 -0.28613463
-0.00129621 0.00020916 0.00102270
-0.00055750 -0.00620088 0.01120413
14.16300141 3.36623380 0.32840100
0.00081501 -0.00001546 0.00015769
-0.00729893 -0.01270395 0.03408657
-3.96021666 11.13883817 -2.24986856
-0.00088805 0.00020982 -0.00073192
-0.03388434 0.03505348 0.01027907
-5.56108334 10.60229751 -0.14684521
0.00056982 -0.00067727 -0.00027878
-0.01527762 0.00385549 0.01019116
7.99147068 13.93974585 4.75802612
-0.00000756 -0.00135300 -0.00011832
0.00432027 -0.04944468 0.00686065
9.74480632 11.36112545 4.41268305
0.00056293 0.00015170 0.00025282
-0.00596194 0.00795640 0.00087464
18.33448254 -11.87368873 -9.33074306
0.00069596 0.00032485 -0.00031788
0.01524470 0.01001759 -0.00247772
20.69718192 -12.81994961 -10.57970449
-0.00105630 0.00103422 -0.00011136
0.00404997 -0.00407971 0.00230056
19.21810405 -5.66971426 -2.18299980
-0.00092842 0.00092501 0.00040899
-0.00281222 -0.00440043 0.03091311
18.19265780 -7.66639220 -0.20852939
-0.00015857 -0.00013379 -0.00000017
-0.00428570 0.00355535 -0.00677963
15.40661845 9.43725287 9.55358935
-0.00021753 0.00026506 -0.00054278
-0.00618161 0.00509606 -0.00261010
16.20276249 7.37093539 11.38090187
0.00076883 0.00000594 0.00035414
-0.00103215 0.00235661 -0.01097813
2.62881478 -15.63395639 16.80464799
0.00010060 -0.00111695 0.00017131
-0.00068538 -0.00441097 0.00535324
3.51508979 -12.78575380 17.10345686
0.00104695 0.00012069 -0.00032891
-0.00440391 0.01797850 0.00835919
-4.09128471 -4.08096566 -13.43025856
-0.00001008 -0.00065994 -0.00018723
0.01544556 0.02036583 -0.00281033
-1.53191142 -2.32997370 -13.19338080
-0.00033130 0.00022921 -0.00047427
0.01118878 -0.00378827 0.00785688
16.08777579 -7.76242539 -15.19362045
0.00006522 0.00018457 0.00032117
0.00206868 0.00476541 0.00463812
17.03454725 -7.81991420 -12.28779093
0.00032537 -0.00019427 0.00040000
0.00964401 -0.00818646 0.00876585
9.44582234 -4.65064269 4.90034787
0.00000293 -0.00003811 -0.00039354
0.01247413 -0.00077122 -0.00711315
12.39473008 -4.71655818 5.79086752
-0.00099372 -0.00031204 0.00033716
-0.00672192 0.00169162 -0.01619900
-20.90592303 -0.33976145 24.84913542
-0.00007743 0.00067973 -0.00090413
-0.01301808 -0.00952925 -0.00101724
-20.00781221 2.16202803 26.15984416
0.00030447 0.00076011 -0.00032154
0.00329453 -0.01581846 -0.02260369
25.05833395 -2.33948272 -7.44447598
-0.00082566 -0.00029493 0.00030508
-0.00889537 0.00771006 0.00326115
24.19265219 -0.24936990 -9.41541130
-0.00011573 0.00027905 -0.00017304
-0.00306233 -0.01065114 0.01417162
12.48057820 -9.81609742 -9.74839747
0.00050158 -0.00105017 -0.00056211
0.01313034 0.00571397 0.02746185
12.22194779 -8.58700848 -12.30750836
0.00042333 0.00032161 0.00050352
0.01232401 0.01569730 -0.01409797
-9.46949880 -9.24299441 18.02438882
0.00014549 0.00023407 0.00041110
0.01025254 0.01242258 0.01666690
-11.25912153 -10.80284237 16.64930726
-0.00001352 0.00142756 -0.00051071
0.01300313 0.00626723 -0.00636544
8.62762148 1.35166694 -29.58086334
0.00023116 -0.00136584 -0.00088756
-0.00749857 -0.01192906 0.00002543
5.69805186 1.15678798 -28.76034324
0.00039610 -0.00050780 0.00022028
0.00163462 -0.00233653 -0.00344156
12.44703006 19.49945635 12.49249981
0.00049688 0.00077015 -0.00041001
-0.00927730 0.02548437 0.00982839
14.20286680 17.66579886 11.38037979
0.00005870 0.00002940 -0.00041692
0.02486527 -0.00768100 -0.01740615
27.58891424 7.53199301 -11.90581951
0.00014331 0.00028329 -0.00055397
-0.01061833 -0.00047468 0.02170076
26.15246834 7.98594405 -9.27104689
-0.00047292 -0.00070571 0.00012125
0.00061946 -0.00988293 -0.01397261
-7.34166215 4.59869997 6.69693373
0.00028622 0.00003976 0.00003896
0.00120170 -0.00483322 -0.00568852
-9.12057860 8.77685079 3.84697423
0.00024242 -0.00003507 0.00006032
-0.00440978 0.00018983 -0.00570861
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07686602
0.33187013
442.20031028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.859 s
total exchange = -52.3166581290 (a.u.)
total exchange computation time: 2.9280130863 s
-153.9304451401
-931.40664074
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.860 s
total exchange = -52.3169031299 (a.u.)
total exchange computation time: 2.9274289608 s
-153.9297974038
Anderson extrapolation: theta=1.4365717572 (1.4365717572)
-931.40685521
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.770 s
total exchange = -52.3172099946 (a.u.)
total exchange computation time: 2.9275960922 s
-153.9293063094
Anderson extrapolation: theta=0.0862416267 (0.0862416267)
-931.40700369
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.769 s
total exchange = -52.3171979457 (a.u.)
total exchange computation time: 2.9285709858 s
-153.9296695016
Anderson extrapolation: theta=2.7297431996 (2.0000000000)
-931.40701650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.769 s
total exchange = -52.3171665875 (a.u.)
total exchange computation time: 2.9273149967 s
-153.9304422550
Anderson extrapolation: theta=0.6544313199 (0.6544313199)
-931.40703664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.769 s
total exchange = -52.3171611337 (a.u.)
total exchange computation time: 2.9274079800 s
-153.9307746834
Anderson extrapolation: theta=0.6433241131 (0.6433241131)
-931.40704517
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.770 s
total exchange = -52.3171813112 (a.u.)
total exchange computation time: 2.9319670200 s
-153.9307428413
Anderson extrapolation: theta=0.8036369951 (0.8036369951)
-931.40704924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.768 s
total exchange = -52.3172194869 (a.u.)
total exchange computation time: 2.9267270565 s
-153.9304926129
Anderson extrapolation: theta=0.5026924397 (0.5026924397)
-931.40705131
71.771897 201.625746 -294.297191
548.926143 1079.047565 -415.568410
620.698039 1280.673310 -709.865601
1590.377111
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0619186047
ExchangeOperator: pair fraction: ispin=0: 0.1558247701
ExchangeOperator: bisection time: 4.680 s
total exchange = -52.3172532273 (a.u.)
total exchange computation time: 2.9285538197 s
677.94084466
-1081.99338151
89.92176012
-390.28632618
-174.67269586
77.29428421
551.60419304
0.00000000
-931.40705200
3.92961826 -31.60048676 -3.82388673
-0.00032750 0.00029524 -0.00000541
-0.00346049 0.02763854 0.01240103
-11.11529831 2.26259359 -9.31776474
-0.00011705 -0.00009891 -0.00005076
-0.00086199 0.01673871 -0.01585231
-37.12879393 1.84631997 3.81587066
-0.00000440 0.00014208 0.00025579
-0.01040922 0.00741249 -0.01061767
-7.74581926 -3.54090397 3.10198893
-0.00008050 -0.00007861 0.00006730
0.01190446 -0.00344341 -0.01326202
2.12208947 -0.20128509 9.66893175
0.00024809 0.00005513 0.00019783
0.01762567 0.00953630 -0.02195287
-31.17209589 1.45191497 3.49729043
0.00000985 -0.00023738 0.00015328
-0.01741991 0.00241748 -0.01532966
16.41027109 13.37542407 -17.77649056
0.00010216 -0.00001462 0.00019040
-0.01519698 -0.00414623 -0.00868348
-3.21528350 4.99498744 4.58155875
0.00008788 -0.00001746 -0.00039449
-0.01204260 -0.01542768 -0.02526218
4.88766694 17.34441869 -6.46034584
-0.00031148 0.00000934 0.00010028
0.01910126 0.03409053 0.01407962
8.17315955 6.90095119 -21.04106089
0.00026011 0.00049903 -0.00024340
0.02749354 0.02077544 0.01191569
19.36239454 18.84441105 -5.39020095
0.00051657 -0.00006198 -0.00001212
0.02965870 0.05483937 0.00820232
2.11211070 14.76502447 -21.51867305
-0.00011352 -0.00002055 0.00008289
-0.01597142 -0.02492176 0.01593979
10.49226025 -5.49277223 0.24106463
-0.00002152 -0.00011411 -0.00024798
-0.02703094 -0.00631678 -0.02925468
-16.64064950 -5.47825313 4.97084587
0.00021035 -0.00006465 -0.00011405
-0.00863417 -0.00435932 -0.00196965
-14.30548024 -1.53781575 20.71759720
0.00014960 -0.00017380 0.00012606
-0.01225630 0.03129190 -0.00577476
1.09635939 3.59003614 -4.67296272
-0.00034048 0.00010989 -0.00008380
0.02285435 0.03321691 -0.00553545
21.04852749 -9.68203035 -3.97934203
-0.00007784 0.00012282 -0.00009656
-0.04417000 0.00210168 0.00522762
2.87420786 -10.80953456 6.87697055
-0.00020243 0.00003087 -0.00009344
-0.00549535 0.00829114 -0.02265589
-1.71619450 -1.60527718 -19.66415829
0.00011777 -0.00000560 0.00034859
-0.01385702 0.00066735 0.02353580
-0.67603170 4.89667493 -11.24360731
0.00002268 0.00036265 -0.00026763
-0.04934026 -0.03128368 0.03476566
-4.91416359 15.47327138 13.45785059
-0.00005254 0.00004720 -0.00016080
-0.00673254 -0.01340312 0.00297478
-4.97539072 3.02534950 -7.53057132
0.00015450 0.00006487 -0.00053874
-0.01228483 -0.00352646 -0.00888074
-8.70606602 0.22587850 -4.59492393
0.00013378 -0.00014115 0.00009172
-0.03010412 0.01734247 0.04105063
2.89539711 27.92119745 5.77153320
0.00007212 -0.00018526 -0.00009074
0.02134577 -0.01271557 0.05065707
8.74559132 -9.83828347 -2.06808537
-0.00018860 0.00044005 -0.00008578
0.04165990 0.01069820 0.00726123
-6.55309796 1.29963070 9.65198774
0.00017414 -0.00003138 0.00033021
0.00672983 -0.00813164 0.00239792
19.72229216 9.74450248 6.31248839
-0.00008801 -0.00034260 -0.00036450
0.05562889 0.02153569 -0.02061677
-3.36972840 0.72655773 -24.28261296
0.00010933 -0.00017765 0.00001487
0.02644387 -0.01149224 0.02263644
-13.57654166 8.41556948 9.50778911
-0.00006116 0.00008462 0.00005619
-0.00311600 -0.00299221 -0.01428016
-13.89950630 5.83322512 -3.93701725
-0.00000768 -0.00030657 -0.00003755
0.00675333 -0.00342235 -0.00823447
-3.77765694 -15.18721595 21.10204014
-0.00012425 0.00016682 0.00012067
-0.00025220 -0.01479386 -0.02026027
-6.09498378 8.41267012 -6.85380233
-0.00031988 0.00033682 0.00041106
0.00468747 -0.01477343 -0.00365070
-19.77728057 30.18250698 1.10786987
0.00008863 0.00008495 0.00021151
-0.00355913 0.00171778 0.01254205
10.42761178 3.53774380 8.16119500
-0.00019199 0.00024014 0.00009891
-0.02029565 -0.02965164 -0.03201603
7.49501282 16.49738034 -11.67712869
-0.00008406 -0.00003690 -0.00008331
-0.00156447 -0.01094523 0.00830310
13.95063434 4.62031737 -0.91723835
0.00023264 -0.00012272 0.00021352
-0.00148630 0.02077477 -0.03612746
-5.48004456 11.99240247 -1.32944540
-0.00027274 -0.00013386 0.00002658
0.04076039 -0.04176453 -0.01901612
8.11790995 11.99608366 5.01634736
0.00028432 -0.00054658 -0.00013103
-0.00070165 0.03026465 -0.00673893
19.82500007 -11.24800421 -10.27520621
0.00006201 0.00007051 -0.00032361
-0.01352776 0.00081391 0.00887404
19.00433230 -5.97980557 -0.31978096
0.00033503 0.00018339 0.00006372
0.01096032 0.00776109 -0.01582774
16.06474646 7.74966346 9.57455020
-0.00013174 -0.00019791 -0.00001038
-0.00105681 -0.00564558 0.01848658
3.99164354 -14.42032803 16.54371623
-0.00032838 -0.00024803 0.00028590
0.00368559 -0.01486037 -0.01945604
-3.27772923 -2.36425021 -13.65223323
-0.00056548 -0.00027532 -0.00028567
-0.02681594 -0.01842569 -0.00942585
16.03014225 -6.93207726 -13.48327797
0.00026631 0.00058615 0.00030862
-0.00751829 0.01468595 -0.00347174
10.67506904 -4.28269670 6.20030633
0.00008306 -0.00014068 0.00033910
-0.02776054 0.00405946 0.02842821
-19.56293955 0.86566250 24.86171076
0.00000002 -0.00016849 0.00028784
0.01360386 0.03323448 0.02224174
24.04631408 -0.78453064 -7.60203223
0.00012684 -0.00007865 0.00022599
-0.00005512 0.00831584 -0.01482702
11.52272665 -9.84462315 -11.24674396
-0.00017488 0.00012165 -0.00001304
-0.02140847 -0.01853563 -0.00816326
-9.66163351 -9.90523570 16.37622573
-0.00022144 -0.00009698 0.00043562
-0.01217237 -0.01457474 -0.00947804
7.35880034 0.43517292 -28.49680704
-0.00010610 -0.00029722 -0.00020542
0.00985260 0.00652003 0.00081727
12.63320182 17.75492920 12.21163088
-0.00020756 -0.00017661 0.00005990
-0.01395234 -0.00719023 0.00913161
25.92752443 7.31333653 -11.01349022
-0.00007054 0.00006099 -0.00015070
0.02076269 0.01450773 -0.00574516
4.09168920 -29.97932057 -4.75938106
-0.00154188 0.00003554 0.00024869
0.00279758 -0.01047707 0.00028324
3.45763985 -30.86275100 -2.12075729
0.00005137 0.00039015 -0.00008901
0.00146120 -0.01070372 -0.01340881
-10.04116837 3.52403079 -8.49781909
0.00109074 0.00040230 -0.00016894
-0.00770420 -0.01102667 -0.00817048
-11.42941962 2.85203968 -11.16179224
0.00026957 -0.00027890 -0.00008831
0.00208731 -0.00954982 0.02645150
-37.49082789 3.63100790 3.30864465
0.00098243 -0.00036986 -0.00013304
0.00399293 -0.02700143 0.00242370
-38.73189601 0.84147559 3.38625950
-0.00118975 0.00023438 -0.00013728
0.01981946 0.02398537 0.00985698
-8.74704784 -3.85114688 1.57808193
0.00042329 0.00044617 -0.00037572
-0.00495501 -0.00793605 0.00661142
-6.36203255 -4.72465972 2.90108887
-0.00013202 0.00015963 -0.00094129
-0.00175192 0.00240877 0.00110065
3.56210280 -1.21429518 9.09993639
-0.00098373 0.00069264 0.00023477
-0.00906040 0.00597104 0.00305948
2.34826704 1.42993910 8.78727885
-0.00011326 -0.00014456 -0.00137836
-0.00740257 -0.01455863 0.00990851
-30.83331257 -0.35406538 3.52227691
-0.00087327 0.00072363 0.00023500
0.01237571 -0.00433330 0.00429182
-32.96013595 1.43915722 3.00664802
-0.00050974 0.00011244 -0.00038017
0.00610907 0.00647874 0.00810816
14.98365285 12.12951675 -17.97063210
-0.00057881 -0.00180618 -0.00124943
0.02110010 0.00834659 -0.00129092
17.84237838 12.40730414 -17.15720542
0.00044860 0.00019719 0.00016236
-0.00013277 -0.01314095 -0.00337905
-2.89818316 6.65254892 5.23034257
-0.00048571 -0.00030367 0.00034413
0.00628473 0.01620484 0.00963769
-3.43634109 5.37171653 2.78240286
-0.00127555 0.00042423 -0.00102752
0.00456449 -0.00620558 0.00975798
5.34012573 16.60469240 -8.02888729
0.00132724 -0.00017224 -0.00060866
0.00838115 -0.00751974 -0.02442995
6.14545622 18.79194694 -6.33749337
0.00028290 0.00079250 0.00010637
-0.01958627 -0.02705523 0.00312792
8.38093036 6.68841377 -22.85093869
0.00036585 -0.00008013 -0.00014112
-0.00440817 -0.01002650 -0.00729091
9.86454795 7.58968849 -20.45637438
-0.00000190 -0.00010699 0.00133683
-0.02988792 -0.01142440 -0.00068765
19.21801266 20.22009510 -4.02139998
0.00074638 -0.00014515 0.00091013
-0.00756605 -0.02543860 -0.01987152
20.56833440 19.86778050 -6.48714688
0.00048937 -0.00017207 -0.00063203
-0.01828199 -0.02813984 0.01438455
1.74103140 13.18722993 -20.62761040
0.00003251 -0.00037334 -0.00069401
0.01918120 0.00111249 0.00097123
0.31082581 15.12743564 -21.73017858
0.00057197 -0.00019747 0.00020689
-0.00529776 0.02247111 -0.01473172
9.83234674 -7.04486294 -0.68446194
-0.00020155 -0.00006830 0.00036553
0.01402107 0.02476295 0.01756001
9.39875401 -4.11590330 -0.51058341
-0.00029226 -0.00054843 0.00013948
0.01622895 -0.01640960 0.01225924
-17.23424206 -6.13196187 6.56896030
0.00052056 -0.00074576 -0.00003043
0.00424495 -0.00010629 0.00421505
-17.95869115 -5.99953600 3.79729192
-0.00077767 0.00099263 -0.00075731
0.00497233 0.00461385 -0.00332816
-14.60809254 -0.50682283 19.16523857
0.00044667 -0.00011909 -0.00134519
0.00579390 -0.01511106 0.01123356
-14.90472187 -0.42937289 22.08001612
-0.00035810 0.00049393 0.00016837
0.00590302 -0.01055990 -0.00699767
-0.22420264 3.42118303 -3.47800749
0.00036326 -0.00073264 -0.00031565
-0.01432717 -0.01518769 0.00627330
1.13982864 2.27401535 -5.90931046
-0.00065106 0.00018218 -0.00055870
-0.00778486 -0.01942472 0.00118771
20.41703912 -9.11779051 -5.57752194
0.00074698 0.00003886 0.00026448
-0.00818182 -0.00038805 -0.00799038
22.73617803 -9.99118395 -4.32133952
-0.00103978 0.00129001 -0.00097141
0.04760155 -0.00570049 -0.00458193
4.42985298 -11.25628079 5.99587825
0.00158713 -0.00054889 -0.00041051
-0.00173333 0.00317844 0.00942783
2.78177999 -11.71813303 8.42463112
-0.00121100 -0.00017585 0.00037183
0.00729673 -0.00619981 0.01566121
-2.37581774 -3.22745117 -20.18032730
-0.00168581 -0.00072135 -0.00015629
0.00073872 -0.00949797 -0.01035451
-2.41051543 -1.41167782 -17.94124606
-0.00046218 -0.00038354 -0.00011691
0.00572965 0.00281990 -0.01592405
1.00555414 5.45195192 -11.10405005
0.00081423 0.00022460 0.00047178
0.03117085 0.00926040 0.00687704
-1.15712472 4.02742857 -9.59158817
0.00121259 -0.00002035 0.00075602
0.01102932 0.02255290 -0.03839702
-3.89656668 16.11361658 14.81052650
0.00079497 0.00043065 0.00092174
0.00325344 0.01296168 0.00658166
-6.61650289 15.54095160 14.12443573
-0.00035854 0.00044263 -0.00062896
0.00188363 0.00256997 -0.00000378
-5.86505298 1.78413574 -6.50270357
0.00019146 0.00035701 0.00050512
0.00466483 0.00034780 -0.00135551
-5.61931414 2.63614498 -9.24172170
-0.00074283 -0.00048056 -0.00056499
0.00815480 -0.00075099 0.00558183
-9.71229328 -1.18686137 -3.87381898
0.00002836 -0.00036294 -0.00017296
0.01560057 0.01653756 -0.01228473
-9.36292349 1.72696130 -3.57393428
-0.00010563 -0.00146878 0.00048036
0.01586614 -0.02993580 -0.02188516
2.26519507 29.05598994 4.59625671
0.00034658 0.00116157 -0.00010664
-0.01973572 0.02119295 -0.03956739
3.01075188 28.99241484 7.28607822
-0.00054304 -0.00028287 -0.00003100
-0.00296501 -0.02008208 -0.01145273
7.28378024 -9.92984370 -3.06918699
0.00113768 -0.00100506 -0.00018038
-0.03438007 -0.00309796 -0.00994384
8.67783494 -11.02036532 -0.71675836
0.00032697 0.00050040 -0.00038370
-0.00725695 -0.01193500 0.00810264
-5.25568519 -0.07231894 9.21552335
0.00111142 -0.00018778 0.00049117
-0.02363633 0.01200481 0.00859896
-8.22155171 0.63918574 10.10031075
0.00022679 0.00138050 0.00006037
0.01897001 -0.00261926 -0.00662115
19.51737092 9.33582224 8.08092674
-0.00050902 -0.00026257 0.00005504
-0.00033196 0.00368552 0.00341036
21.59666738 10.30500237 6.01853504
0.00042685 0.00049066 -0.00083726
-0.04919071 -0.01577562 0.01613832
-2.76812069 0.09300030 -22.59510200
-0.00054288 0.00081927 -0.00112673
-0.00850508 0.01032353 -0.01783588
-5.14346661 0.94364160 -24.10236051
-0.00135489 -0.00020620 0.00017193
-0.01422441 -0.00112581 -0.00160989
-12.44662573 9.38910866 10.59233971
-0.00038661 -0.00013849 0.00065143
-0.00253524 0.00410811 -0.00699751
-13.57543377 9.39114584 7.92270557
0.00038002 0.00012461 -0.00037459
0.00033138 -0.00074203 0.01098133
-13.92418043 4.18377634 -4.72878667
0.00055377 0.00095921 0.00029439
0.00264875 0.00013051 0.00733198
-15.35511941 6.65439577 -4.72434468
0.00091976 0.00133911 -0.00067444
-0.00445408 0.00306435 0.00394425
-5.38147347 -16.15978885 21.11623029
0.00063657 -0.00006801 0.00049225
0.00354082 0.00609671 0.00556258
-3.18867471 -15.66866378 19.41165168
0.00002607 0.00012042 0.00026352
0.00231130 0.00822246 0.01394727
-6.22623958 6.67533349 -6.27146824
-0.00105326 -0.00045238 0.00000528
0.00546315 0.00323313 -0.00602205
-6.91380916 9.43319154 -5.60062282
-0.00031970 -0.00042929 0.00090498
-0.00800033 0.01012887 0.00100272
-20.44902443 30.95129004 -0.38616454
-0.00047355 0.00049024 0.00017300
0.00433110 0.00130061 -0.00184790
-18.05000075 30.69723031 1.40416651
-0.00088334 0.00028235 -0.00027101
0.00203598 -0.00228554 -0.01164455
9.28390004 2.66936619 6.83615886
-0.00045178 0.00008410 -0.00075735
0.02256682 0.01789909 0.02748303
9.77819299 5.21167325 8.39027654
0.00119836 -0.00065065 0.00005895
-0.00939836 0.01786811 0.00044450
8.53341233 17.34770015 -12.90789001
0.00061784 0.00101508 0.00069917
0.00453528 0.01018364 -0.01036871
8.75200260 15.27632066 -11.10845686
0.00000957 0.00034600 -0.00048015
-0.00780311 0.00019074 0.00306659
13.02027492 6.07228559 -0.27045086
-0.00128751 0.00016821 0.00106114
0.00481537 -0.01384707 0.00761637
14.17500295 3.36561264 0.33181094
0.00078500 -0.00006733 0.00029684
-0.00739338 -0.01268896 0.03402692
-3.97457569 11.14305958 -2.26053234
-0.00102389 0.00035200 -0.00069073
-0.03261169 0.03454764 0.00988195
-5.55300423 10.59225663 -0.15071458
0.00050753 -0.00065940 -0.00023844
-0.01521257 0.00489111 0.00955462
7.99148963 13.91793574 4.75646155
0.00000937 -0.00154605 -0.00009106
0.00397058 -0.04505452 0.00648572
9.75306759 11.36364472 4.41650218
0.00053683 0.00018363 0.00025665
-0.00681394 0.00767602 0.00099898
18.34538905 -11.86850907 -9.33558722
0.00075067 0.00036481 -0.00032366
0.01153790 0.00954696 -0.00035267
20.68146154 -12.80456140 -10.58130447
-0.00102712 0.00099833 -0.00010677
0.01023295 -0.01348595 -0.00005012
19.20409165 -5.65597392 -2.17591764
-0.00093836 0.00090706 0.00053053
-0.00205772 -0.00438916 0.02857967
18.19014795 -7.66829005 -0.20873969
-0.00017340 -0.00011395 -0.00002816
-0.00297399 0.00615351 -0.00692284
15.40316604 9.44138492 9.54536759
-0.00023982 0.00027818 -0.00055218
-0.00472864 0.00132569 -0.00199128
16.21426327 7.37109670 11.38587755
0.00076343 0.00001748 0.00030413
-0.00160867 0.00329240 -0.01350179
2.63030273 -15.65084584 16.80738168
0.00009877 -0.00113012 0.00019425
-0.00020965 -0.00203414 0.00587756
3.53065904 -12.78339255 17.09877940
0.00102524 0.00019600 -0.00029307
-0.00622232 0.01888527 0.00918493
-4.09096259 -4.09024071 -13.43315307
0.00005195 -0.00057636 -0.00019876
0.01492014 0.02054778 -0.00283504
-1.53653805 -2.32665165 -13.20025403
-0.00028886 0.00021374 -0.00044318
0.00958516 -0.00378504 0.00736019
16.08881750 -7.75951075 -15.18866073
0.00007298 0.00020450 0.00034000
0.00172793 0.00498773 0.00457552
17.03972339 -7.82307916 -12.28152237
0.00035991 -0.00022314 0.00043058
0.00726150 -0.00594585 0.00620342
9.44624848 -4.65123802 4.89422677
0.00005858 -0.00003936 -0.00041564
0.01476656 0.00015883 -0.00370391
12.37961826 -4.72118696 5.79542860
-0.00100527 -0.00030878 0.00026818
0.00107103 -0.00009417 -0.01756815
-20.90748336 -0.32985747 24.83554229
-0.00013721 0.00063572 -0.00090717
-0.01624346 -0.01201476 -0.00047046
-20.00314426 2.17294494 26.15432837
0.00031677 0.00069367 -0.00041447
0.00272825 -0.01670452 -0.02288443
25.04567646 -2.34367046 -7.43979986
-0.00085839 -0.00026747 0.00031800
-0.00712786 0.00573349 0.00306173
24.19082239 -0.24551051 -9.41757269
-0.00012782 0.00023325 -0.00011043
-0.00285455 -0.01176778 0.01647592
12.48850432 -9.83167484 -9.75598760
0.00055591 -0.00102755 -0.00044877
0.01346031 0.00535737 0.02802109
12.22867540 -8.58170329 -12.30038755
0.00047269 0.00038453 0.00044670
0.01183747 0.01510186 -0.01371530
-9.46700229 -9.23910263 18.03106598
0.00018646 0.00028288 0.00047596
0.00980102 0.01147066 0.01508465
-11.25892581 -10.78123693 16.64145160
0.00002701 0.00144597 -0.00053377
0.00683555 0.00274607 -0.00492649
8.63085909 1.33081384 -29.59417601
0.00019937 -0.00141316 -0.00088608
-0.00806133 -0.01123667 0.00069977
5.70404347 1.14909945 -28.75714454
0.00039453 -0.00051325 0.00020428
-0.00240269 -0.00033316 -0.00438727
12.45419897 19.51178945 12.48665086
0.00046013 0.00085955 -0.00037199
-0.00871281 0.01827778 0.00878240
14.20450929 17.66600450 11.37359259
0.00015254 -0.00000245 -0.00048432
0.02106646 -0.00791155 -0.01558574
27.59073847 7.53622787 -11.91346407
0.00009688 0.00028110 -0.00046247
-0.01210939 -0.00060056 0.02309061
26.14539347 7.97505557 -9.26965626
-0.00046916 -0.00074491 0.00006491
0.00122464 -0.00930684 -0.01360909
-7.33736562 4.59928334 6.69750283
0.00028666 0.00003798 0.00003693
0.00127524 -0.00509444 -0.00564986
-9.11695000 8.77632511 3.84786911
0.00024157 -0.00003505 0.00005901
-0.00289714 -0.00003303 -0.00554529
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07578398
0.33126802
441.39802440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.582 s
total exchange = -52.3099744576 (a.u.)
total exchange computation time: 3.0701470375 s
-153.8953946291
-931.40461650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.505 s
total exchange = -52.3101670349 (a.u.)
total exchange computation time: 3.0720720291 s
-153.8943038925
Anderson extrapolation: theta=1.5006673574 (1.5006673574)
-931.40484454
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.497 s
total exchange = -52.3102784500 (a.u.)
total exchange computation time: 3.0726430416 s
-153.8936136026
Anderson extrapolation: theta=0.1130266419 (0.1130266419)
-931.40501898
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.496 s
total exchange = -52.3101371419 (a.u.)
total exchange computation time: 3.0705358982 s
-153.8944049887
Anderson extrapolation: theta=2.9133562025 (2.0000000000)
-931.40503983
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.498 s
total exchange = -52.3097808392 (a.u.)
total exchange computation time: 3.0718379021 s
-153.8963112464
Anderson extrapolation: theta=0.7346740137 (0.7346740137)
-931.40507351
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.496 s
total exchange = -52.3095095314 (a.u.)
total exchange computation time: 3.0699181557 s
-153.8976347827
Anderson extrapolation: theta=0.4703512033 (0.4703512033)
-931.40508839
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.498 s
total exchange = -52.3093976976 (a.u.)
total exchange computation time: 3.0704431534 s
-153.8980580652
Anderson extrapolation: theta=0.9310976637 (0.9310976637)
-931.40509360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.495 s
total exchange = -52.3093211550 (a.u.)
total exchange computation time: 3.0746021271 s
-153.8982226275
Anderson extrapolation: theta=0.4241044088 (0.4241044088)
-931.40509669
71.801999 201.597085 -250.007798
548.895633 1079.064838 -415.609817
620.697632 1280.661923 -665.617615
1571.116584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0620639535
ExchangeOperator: pair fraction: ispin=0: 0.1566035695
ExchangeOperator: bisection time: 4.498 s
total exchange = -52.3093124374 (a.u.)
total exchange computation time: 3.0726568699 s
677.81220477
-1081.71560183
89.93154284
-390.47386701
-174.65006405
77.14247409
551.60419304
0.00000000
-931.40509772
3.92469245 -31.59595151 -3.82392001
-0.00032939 0.00030882 0.00000114
-0.00389637 0.02516423 0.01305640
-11.11705734 2.26117450 -9.31858723
-0.00011634 -0.00008923 -0.00005807
0.00360274 0.02088902 -0.01259937
-37.12890014 1.84847971 3.81966656
-0.00001036 0.00014450 0.00025034
-0.01273338 0.00199498 -0.01058474
-7.74698080 -3.54209635 3.10294724
-0.00007448 -0.00008036 0.00006024
0.01147872 -0.00335843 -0.01418109
2.12587880 -0.20042142 9.67181456
0.00025529 0.00006221 0.00018673
0.01037908 0.01801735 -0.02121634
-31.17201531 1.44836365 3.49953055
-0.00000062 -0.00023412 0.00014507
-0.02330086 0.01022718 -0.01662549
16.41174488 13.37518878 -17.77366801
0.00009290 -0.00001831 0.00018574
-0.02080160 -0.01018595 -0.00945849
-3.21401172 4.99466608 4.57554402
0.00008136 -0.00002540 -0.00040888
-0.01330897 -0.01545978 -0.03070499
4.88306846 17.34469026 -6.45878732
-0.00030020 0.00002675 0.00010535
0.02473625 0.03363148 0.00562785
8.17716729 6.90851681 -21.04466593
0.00027398 0.00050951 -0.00023697
0.02644483 0.01995785 0.01309245
19.37025747 18.84369289 -5.39035106
0.00053188 -0.00003349 -0.00000764
0.02986795 0.05593186 0.00920334
2.11034630 14.76462011 -21.51736824
-0.00012051 -0.00003348 0.00009113
-0.01122402 -0.02535968 0.01611229
10.49183319 -5.49450832 0.23723202
-0.00003503 -0.00011746 -0.00026253
-0.02550704 -0.00669636 -0.02731897
-16.63752754 -5.47923974 4.96912747
0.00020483 -0.00006737 -0.00011571
-0.01282073 -0.00620811 -0.00448733
-14.30328352 -1.54030205 20.71946588
0.00014281 -0.00015636 0.00012235
-0.01415094 0.03651417 -0.00865780
1.09134034 3.59181265 -4.67424110
-0.00032789 0.00012650 -0.00008797
0.02611487 0.03138405 -0.01068295
21.04718950 -9.68017991 -3.98077024
-0.00010198 0.00012388 -0.00009267
-0.04969395 0.00200848 0.00988392
2.87115015 -10.80903960 6.87548155
-0.00020275 0.00003386 -0.00010559
0.00424848 0.00334054 -0.02457627
-1.71448134 -1.60535865 -19.65883858
0.00010967 -0.00000782 0.00035950
-0.01764518 -0.00929035 0.01887504
-0.67588175 4.90199407 -11.24748762
-0.00000079 0.00034672 -0.00024857
-0.04192667 -0.03068887 0.03935224
-4.91497766 15.47392765 13.45545002
-0.00005449 0.00004128 -0.00015718
-0.00084466 -0.00961229 0.01109612
-4.97312061 3.02630891 -7.53868668
0.00014754 0.00006288 -0.00054327
-0.01478823 -0.00422000 -0.00874688
-8.70417552 0.22382818 -4.59338985
0.00011847 -0.00013329 0.00011249
-0.02943163 0.01323012 0.03975105
2.89656129 27.91836949 5.77036749
0.00008218 -0.00019037 -0.00006639
0.01777702 -0.00714832 0.04404059
8.74292301 -9.83164147 -2.06934407
-0.00016571 0.00044605 -0.00008118
0.04735127 0.01263812 0.01063796
-6.55045989 1.29912860 9.65695009
0.00017920 -0.00003520 0.00033107
0.01295365 -0.00670433 0.00096108
19.72118660 9.73944659 6.30694143
-0.00005902 -0.00033142 -0.00037448
0.05710054 0.02192851 -0.01821771
-3.36798643 0.72384860 -24.28230261
0.00011893 -0.00018234 0.00002469
0.01087946 -0.00671690 0.01555777
-13.57747106 8.41682724 9.50857683
-0.00006275 0.00008337 0.00004841
-0.00308295 -0.00186127 -0.01596154
-13.89959548 5.82861343 -3.93761226
-0.00000444 -0.00030558 -0.00004074
0.00585347 0.00727066 -0.00416239
-3.77952164 -15.18477067 21.10377201
-0.00012368 0.00015966 0.00011046
0.00246460 -0.01305330 -0.01943108
-6.09976390 8.41766543 -6.84765045
-0.00031749 0.00032818 0.00040947
0.00461110 -0.01880893 -0.00254211
-19.77596487 30.18378791 1.11109087
0.00008471 0.00008572 0.00021685
-0.01167434 0.00125783 0.00824493
10.42465370 3.54123152 8.16255521
-0.00020177 0.00022198 0.00008155
-0.01774408 -0.04097945 -0.03551659
7.49374590 16.49678460 -11.67834633
-0.00008473 -0.00004175 -0.00007976
-0.00102405 -0.00789157 0.00549334
13.95411816 4.61855677 -0.91417497
0.00023068 -0.00011057 0.00019608
-0.00612354 0.02644180 -0.03166528
-5.48397849 11.99023345 -1.32912006
-0.00025226 -0.00015526 0.00001722
0.03890192 -0.04143620 -0.01736370
8.12217207 11.98800175 5.01435598
0.00028387 -0.00053220 -0.00013426
-0.00103630 0.02563925 -0.00585504
19.82587800 -11.24694338 -10.28002614
0.00005450 0.00007361 -0.00031907
-0.01565219 0.01123076 0.00876835
19.00940002 -5.97702478 -0.31888626
0.00034005 0.00018662 0.00005641
0.00855247 0.00478195 -0.01258218
16.06276627 7.74667309 9.57446577
-0.00013249 -0.00020001 -0.00000050
-0.00185692 -0.00253484 0.01993258
3.98673201 -14.42410582 16.54792965
-0.00032622 -0.00025618 0.00027568
0.00472041 -0.01682410 -0.02026354
-3.28631492 -2.36845101 -13.65655465
-0.00057852 -0.00028458 -0.00029032
-0.02386894 -0.01761504 -0.00864429
16.03410790 -6.92322832 -13.47866211
0.00026315 0.00059293 0.00030740
-0.00478054 0.01165220 -0.00125403
10.67620788 -4.28479122 6.20550254
0.00006629 -0.00013837 0.00035325
-0.03746686 0.00492994 0.02657646
-19.56288682 0.86326328 24.86611421
0.00000792 -0.00015079 0.00029918
0.01712304 0.03559965 0.02183269
24.04821645 -0.78567834 -7.59869951
0.00012632 -0.00007357 0.00021789
-0.00198111 0.01144845 -0.01668762
11.52002093 -9.84286989 -11.24697108
-0.00018551 0.00011257 -0.00001731
-0.01995744 -0.01676950 -0.00845045
-9.66500212 -9.90674662 16.38272341
-0.00022576 -0.00010317 0.00043091
-0.00461599 -0.00951041 -0.00882092
7.35724692 0.43073974 -28.49988521
-0.00009983 -0.00029457 -0.00020482
0.01452962 0.00377534 0.00153070
12.63003466 17.75225235 12.21256461
-0.00021371 -0.00017828 0.00006428
-0.00996690 0.00070005 0.00788162
25.92654634 7.31430736 -11.01577282
-0.00005971 0.00006834 -0.00015404
0.02138925 0.01406698 -0.00725704
4.06864677 -29.97910850 -4.75564210
-0.00152842 -0.00000261 0.00024601
0.00378762 -0.00820038 -0.00159192
3.45845525 -30.85722679 -2.12250337
0.00005704 0.00034590 -0.00014217
0.00131132 -0.01095381 -0.01260979
-10.02504337 3.52972745 -8.50060353
0.00105074 0.00034795 -0.00020765
-0.01187341 -0.01558045 -0.01077842
-11.42531203 2.84756351 -11.16230638
0.00027709 -0.00031737 0.00001859
0.00159090 -0.00927871 0.02587697
-37.47596901 3.62463263 3.30672336
0.00099651 -0.00047239 -0.00012496
0.00289925 -0.02318873 0.00153138
-38.74913490 0.84572621 3.38450235
-0.00110226 0.00033565 -0.00009530
0.02300456 0.02559121 0.01069221
-8.74085032 -3.84469759 1.57264878
0.00040224 0.00041457 -0.00034805
-0.00535106 -0.00753053 0.00693061
-6.36406660 -4.72219145 2.88700319
-0.00013769 0.00016830 -0.00093545
-0.00101905 0.00183453 0.00175990
3.54706916 -1.20372265 9.10355162
-0.00100491 0.00070469 0.00024166
-0.00130610 -0.00007307 0.00031658
2.34634128 1.42732456 8.76690703
-0.00014494 -0.00020897 -0.00133347
-0.00810549 -0.01697110 0.01206485
-30.84603242 -0.34334376 3.52593343
-0.00081919 0.00068991 0.00025315
0.01410027 -0.01217129 0.00459080
-32.96759490 1.44104232 3.00119390
-0.00047666 0.00013916 -0.00034473
0.01008647 0.00660292 0.00924326
14.97561726 12.10267989 -17.98941308
-0.00047881 -0.00175988 -0.00125103
0.02785218 0.01431709 0.00050633
17.84910334 12.40985937 -17.15487352
0.00044571 0.00014438 0.00014771
-0.00128205 -0.01271085 -0.00379531
-2.90527626 6.64849043 5.23579992
-0.00045951 -0.00023629 0.00038220
0.00654035 0.01677599 0.00899501
-3.45533444 5.37788978 2.76728909
-0.00125428 0.00039780 -0.00097537
0.00584835 -0.00672998 0.01576979
5.36029122 16.60187842 -8.03876576
0.00135615 -0.00019510 -0.00069123
0.00577010 -0.00366966 -0.01598972
6.14909956 18.80300532 -6.33580193
0.00019624 0.00067544 0.00011892
-0.02283709 -0.03024330 0.00301215
8.38628303 6.68690463 -22.85327890
0.00034963 -0.00012016 -0.00017037
-0.00353279 -0.00957013 -0.00702871
9.86360363 7.58773356 -20.43634303
-0.00012357 -0.00015310 0.00133074
-0.02967066 -0.01114906 -0.00229439
19.22897649 20.21713829 -4.00835696
0.00071659 -0.00025133 0.00082373
-0.00701442 -0.02653398 -0.02241995
20.57511468 19.86433717 -6.49618652
0.00041307 -0.00028693 -0.00057039
-0.01906349 -0.02808318 0.01578974
1.74210683 13.18166397 -20.63799079
0.00011080 -0.00037003 -0.00068888
0.01914029 0.00050734 0.00154056
0.31924302 15.12516221 -21.72752670
0.00054106 -0.00010313 0.00014566
-0.00983297 0.02370706 -0.01524148
9.82975309 -7.04512863 -0.67844094
-0.00014521 0.00003049 0.00043514
0.01356012 0.02359575 0.01651502
9.39486742 -4.12463261 -0.50811559
-0.00022800 -0.00061199 0.00018794
0.01522598 -0.01470059 0.01146369
-17.22630357 -6.14315150 6.56863301
0.00053808 -0.00074503 -0.00001688
0.00433293 0.00046357 0.00241589
-17.97020381 -5.98450518 3.78583026
-0.00074903 0.00101385 -0.00076210
0.00904424 0.00577455 0.00098212
-14.60121498 -0.50907227 19.14540500
0.00047169 -0.00018696 -0.00128741
0.00645313 -0.01810805 0.01704930
-14.90991255 -0.42228757 22.08232718
-0.00033146 0.00044653 0.00013322
0.00713866 -0.01263974 -0.01020745
-0.21919277 3.40972798 -3.48255007
0.00029742 -0.00079473 -0.00028279
-0.01790335 -0.01520340 0.00981255
1.12982419 2.27615285 -5.91765460
-0.00068182 0.00010646 -0.00055067
-0.00727140 -0.01764273 0.00274339
20.42799308 -9.11721948 -5.57379963
0.00070610 0.00004142 0.00022308
-0.01182729 0.00164080 -0.01227516
22.72203995 -9.97200853 -4.33605112
-0.00082679 0.00126242 -0.00099061
0.05665803 -0.00780358 -0.00481360
4.45360675 -11.26441674 5.99000950
0.00155875 -0.00053035 -0.00035933
-0.01215528 0.00589883 0.01562741
2.76383866 -11.72096083 8.43068843
-0.00117958 -0.00019679 0.00042694
0.00808034 -0.00404665 0.01131503
-2.40108231 -3.23856243 -20.18298899
-0.00167393 -0.00074122 -0.00019373
0.00507715 -0.00023196 -0.00797318
-2.41727261 -1.41734447 -17.94348772
-0.00043934 -0.00037068 -0.00017776
0.00544991 0.00347447 -0.01386183
1.01872278 5.45560463 -11.09676264
0.00092789 0.00025884 0.00049641
0.02446456 0.00750404 0.00518101
-1.13859795 4.02781443 -9.58142454
0.00125590 0.00007443 0.00059261
0.01017082 0.02384130 -0.04159199
-3.88454237 16.12047357 14.82455426
0.00079410 0.00047574 0.00093229
-0.00368051 0.00910647 -0.00141530
-6.62182327 15.54766986 14.11500117
-0.00034859 0.00045343 -0.00062853
0.00298641 0.00271422 0.00021516
-5.86203809 1.78950159 -6.49516837
0.00021261 0.00036213 0.00049624
0.00568579 0.00215658 -0.00298807
-5.63020668 2.62891358 -9.25002545
-0.00070760 -0.00048230 -0.00053812
0.00908983 -0.00010095 0.00757038
-9.71138979 -1.19179865 -3.87678987
0.00009300 -0.00029597 -0.00022407
0.01603995 0.01624474 -0.01273270
-9.36402180 1.70401234 -3.56739953
-0.00004317 -0.00158211 0.00039457
0.01470906 -0.02554353 -0.02010671
2.26978900 29.07406287 4.59344469
0.00027245 0.00123634 -0.00025716
-0.01655233 0.01540860 -0.03411405
3.00251539 28.98755641 7.28526234
-0.00055448 -0.00036471 -0.00007556
-0.00263616 -0.01998008 -0.01035964
7.29979190 -9.94501461 -3.07219739
0.00098450 -0.00101840 -0.00023079
-0.04060064 -0.00342770 -0.01473299
8.68251712 -11.01322505 -0.72226559
0.00029785 0.00044844 -0.00034725
-0.00699934 -0.01349874 0.00973914
-5.23973819 -0.07476785 9.22315435
0.00100956 -0.00013704 0.00052704
-0.02622656 0.01283567 0.00896140
-8.21756859 0.65981300 10.10101335
0.00029651 0.00136421 0.00003524
0.01516074 -0.00535446 -0.00567664
19.50972542 9.33199659 8.08185677
-0.00050829 -0.00024568 0.00006218
0.00068911 0.00458160 0.00008587
21.60156278 10.31187883 6.00647070
0.00022114 0.00042359 -0.00076891
-0.05150422 -0.01705437 0.01731682
-2.77652452 0.10560574 -22.61254948
-0.00057082 0.00085464 -0.00118224
-0.00516923 0.00698784 -0.00933629
-5.16422590 0.94051404 -24.09983083
-0.00138811 -0.00021392 0.00016216
-0.00203433 -0.00264960 -0.00317232
-12.45250259 9.38715727 10.60189674
-0.00039763 -0.00012167 0.00062138
-0.00286044 0.00412529 -0.00771140
-13.56972327 9.39299220 7.91742318
0.00038164 0.00011936 -0.00032463
0.00046106 -0.00182566 0.01347569
-13.91579269 4.19816843 -4.72414612
0.00056324 0.00094204 0.00031462
0.00198707 -0.00853107 0.00257003
-15.34145947 6.67457638 -4.73434035
0.00090410 0.00134716 -0.00065700
-0.00321488 0.00087201 0.00459268
-5.37181647 -16.16062223 21.12378448
0.00064481 -0.00004599 0.00051450
0.00049320 0.00468438 0.00532725
-3.18821279 -15.66660557 19.41603184
0.00003585 0.00015378 0.00031899
0.00247536 0.00810988 0.01320636
-6.24187106 6.66864690 -6.27157361
-0.00102901 -0.00043368 -0.00002285
0.00640535 0.00591855 -0.00774885
-6.91884982 9.42706251 -5.58701735
-0.00035290 -0.00038682 0.00090955
-0.00824879 0.01066177 0.00123398
-20.45599494 30.95868354 -0.38362612
-0.00045380 0.00049238 0.00017115
0.00533842 -0.00025287 0.00093845
-18.06318847 30.70139557 1.39974448
-0.00086053 0.00027720 -0.00031589
0.00912985 -0.00023457 -0.01032454
9.27781481 2.67117620 6.82564074
-0.00035664 0.00016044 -0.00064051
0.02400793 0.01946801 0.02971387
9.79588043 5.20246096 8.39117436
0.00115158 -0.00055837 0.00006280
-0.01350261 0.02730616 0.00144066
8.54281883 17.36323842 -12.89772020
0.00063215 0.00105402 0.00066059
0.00247146 0.00887888 -0.00851583
8.75190710 15.28151652 -11.11556509
-0.00001936 0.00034284 -0.00046562
-0.00635838 -0.00173842 0.00404342
13.00110983 6.07438438 -0.25430030
-0.00125768 0.00009779 0.00108529
0.00978561 -0.02062359 0.00420498
14.18655138 3.36421382 0.33730626
0.00075428 -0.00011728 0.00043370
-0.00764249 -0.01176078 0.03296412
-3.99093336 11.14939829 -2.27059050
-0.00115305 0.00049104 -0.00065209
-0.03061485 0.03351227 0.00903503
-5.54585744 10.58251550 -0.15399838
0.00044566 -0.00063718 -0.00020100
-0.01507114 0.00598360 0.00877141
7.99175192 13.89336440 4.75529446
0.00002479 -0.00171865 -0.00006571
0.00357755 -0.03943373 0.00592220
9.76091126 11.36663443 4.42038254
0.00051088 0.00021317 0.00025994
-0.00588967 0.00678397 0.00061397
18.35700268 -11.86274432 -9.34045300
0.00078926 0.00040241 -0.00032007
0.00735352 0.00885750 0.00211276
20.66636831 -12.78999969 -10.58290751
-0.00097267 0.00092358 -0.00011184
0.01641992 -0.02310414 -0.00243281
19.18995314 -5.64250257 -2.16708394
-0.00094516 0.00088947 0.00064104
-0.00126985 -0.00421762 0.02551475
18.18745583 -7.66981077 -0.20937427
-0.00018296 -0.00008385 -0.00005660
-0.00170634 0.00857970 -0.00699910
15.39942383 9.44559821 9.53702381
-0.00025616 0.00027583 -0.00055895
-0.00326855 -0.00247736 -0.00131916
16.22566546 7.37145980 11.39002576
0.00075573 0.00003251 0.00024506
-0.00216238 0.00406316 -0.01541233
2.63177784 -15.66785996 16.81047557
0.00009891 -0.00113354 0.00021928
0.00027944 0.00035976 0.00637527
3.54584694 -12.77987390 17.09466485
0.00099673 0.00027311 -0.00025454
-0.00773060 0.01886386 0.00967268
-4.08972608 -4.09825646 -13.43622134
0.00011130 -0.00049311 -0.00021027
0.01413012 0.02020417 -0.00279752
-1.54057725 -2.32356158 -13.20667619
-0.00025399 0.00019824 -0.00041444
0.00748575 -0.00379877 0.00670994
16.08996510 -7.75629044 -15.18342060
0.00007932 0.00022526 0.00035847
0.00137492 0.00517445 0.00446655
17.04534456 -7.82660851 -12.27487364
0.00038439 -0.00024239 0.00045026
0.00472106 -0.00347434 0.00343151
9.44757961 -4.65182361 4.88787868
0.00012290 -0.00003699 -0.00042415
0.01672028 0.00100355 -0.00046173
12.36457208 -4.72582151 5.79891300
-0.00098474 -0.00031294 0.00019367
0.00897675 -0.00194221 -0.01890428
-20.91003919 -0.32068983 24.82192033
-0.00020884 0.00058281 -0.00090815
-0.01882451 -0.01388314 -0.00000770
-19.99830911 2.18283810 26.14741008
0.00032642 0.00062472 -0.00050746
0.00199720 -0.01704826 -0.02263293
25.03258213 -2.34750682 -7.43493610
-0.00088370 -0.00024847 0.00033016
-0.00525995 0.00356529 0.00289031
24.18881765 -0.24237233 -9.41872432
-0.00013896 0.00018325 -0.00003943
-0.00260095 -0.01270952 0.01828254
12.49725538 -9.84692392 -9.76186042
0.00061002 -0.00100640 -0.00033556
0.01302736 0.00499534 0.02739393
12.23612847 -8.57547256 -12.29410729
0.00051929 0.00044367 0.00039261
0.01097310 0.01384476 -0.01276383
-9.46390511 -9.23450787 18.03866761
0.00022523 0.00032711 0.00053290
0.00917785 0.01017769 0.01278912
-11.25831117 -10.75946320 16.63329402
0.00004101 0.00144967 -0.00055083
0.00001627 -0.00093821 -0.00342451
8.63360265 1.30927209 -29.60744580
0.00016545 -0.00145744 -0.00088198
-0.00854477 -0.01043986 0.00130961
5.70988783 1.14139051 -28.75421472
0.00037642 -0.00051048 0.00018448
-0.00646397 0.00168776 -0.00530933
12.46083390 19.52524272 12.48134016
0.00042576 0.00091846 -0.00033836
-0.00811285 0.01055888 0.00767823
14.20744286 17.66572528 11.36585021
0.00022919 -0.00003502 -0.00054334
0.01645563 -0.00802840 -0.01330725
27.59182055 7.54042593 -11.91969350
0.00004537 0.00027843 -0.00036609
-0.01310392 -0.00070494 0.02408656
26.13839365 7.96359671 -9.26909967
-0.00046292 -0.00078148 0.00001086
0.00182579 -0.00859384 -0.01284972
-7.33306225 4.59983937 6.69804160
0.00028713 0.00003611 0.00003492
0.00133987 -0.00536536 -0.00557100
-9.11333148 8.77579931 3.84874467
0.00024092 -0.00003507 0.00005774
-0.00272888 -0.00014420 -0.00544566
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07695231
0.32814541
437.23730367
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.495 s
total exchange = -52.3014135702 (a.u.)
total exchange computation time: 3.0708110332 s
-153.8754678145
-931.39915974
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.492 s
total exchange = -52.3018515871 (a.u.)
total exchange computation time: 3.0699670315 s
-153.8734029736
Anderson extrapolation: theta=1.5204109605 (1.5204109605)
-931.39940056
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.496 s
total exchange = -52.3024692221 (a.u.)
total exchange computation time: 3.0706460476 s
-153.8707694079
Anderson extrapolation: theta=0.1177362870 (0.1177362870)
-931.39958824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.498 s
total exchange = -52.3024933246 (a.u.)
total exchange computation time: 3.0714228153 s
-153.8709719523
Anderson extrapolation: theta=2.8338059139 (2.0000000000)
-931.39961090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.500 s
total exchange = -52.3025218496 (a.u.)
total exchange computation time: 3.0717380047 s
-153.8715100431
Anderson extrapolation: theta=0.6875183277 (0.6875183277)
-931.39964668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.497 s
total exchange = -52.3025486117 (a.u.)
total exchange computation time: 3.0699570179 s
-153.8717483644
Anderson extrapolation: theta=0.4956996286 (0.4956996286)
-931.39966139
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.491 s
total exchange = -52.3025796456 (a.u.)
total exchange computation time: 3.0711469650 s
-153.8716643554
Anderson extrapolation: theta=0.9174808766 (0.9174808766)
-931.39966668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.497 s
total exchange = -52.3026265869 (a.u.)
total exchange computation time: 3.0691330433 s
-153.8713979457
Anderson extrapolation: theta=0.4588089863 (0.4588089863)
-931.39966957
71.827919 201.569155 -250.094658
548.865841 1079.080476 -415.649689
620.693760 1280.649631 -665.744348
1571.158731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.412 s
total exchange = -52.3026604900 (a.u.)
total exchange computation time: 3.0710799694 s
677.71983179
-1081.50998617
89.93845819
-390.61186013
-174.63345358
77.02943827
551.60419304
0.00000000
-931.39967038
3.91973658 -31.59122213 -3.82385256
-0.00033147 0.00032103 0.00000795
-0.00419672 0.02231843 0.01342945
-11.11878857 2.25991656 -9.31950691
-0.00011343 -0.00007763 -0.00006373
0.00771496 0.02423652 -0.00940695
-37.12910458 1.85065484 3.82338080
-0.00001732 0.00014409 0.00024499
-0.01436452 -0.00358113 -0.01019605
-7.74805377 -3.54331464 3.10379616
-0.00006869 -0.00008205 0.00005273
0.01104173 -0.00321460 -0.01503723
2.12974820 -0.19941876 9.67453369
0.00025859 0.00007362 0.00017615
0.00246373 0.02634289 -0.01994984
-31.17211449 1.44489124 3.50164240
-0.00001393 -0.00022684 0.00013622
-0.02846876 0.01808411 -0.01778187
16.41305818 13.37487491 -17.77091844
0.00008110 -0.00002496 0.00018068
-0.02510739 -0.01567546 -0.01019550
-3.21284262 4.99422546 4.56929240
0.00007422 -0.00003320 -0.00042579
-0.01447671 -0.01486544 -0.03507729
4.87866081 17.34522129 -6.45718539
-0.00028616 0.00004372 0.00010605
0.02987347 0.03234677 -0.00290413
8.18137905 6.91623640 -21.04816996
0.00028730 0.00051956 -0.00023004
0.02535155 0.01911711 0.01386352
19.37835082 18.84340622 -5.39043016
0.00054714 -0.00000469 -0.00000267
0.02950359 0.05607452 0.01011000
2.10849530 14.76402011 -21.51593913
-0.00012511 -0.00004656 0.00009941
-0.00666019 -0.02552293 0.01609686
10.49120934 -5.49629607 0.23318866
-0.00004759 -0.00012093 -0.00027594
-0.02331917 -0.00678088 -0.02483245
-16.63450449 -5.48027424 4.96737445
0.00019723 -0.00007095 -0.00011860
-0.01674648 -0.00772946 -0.00672066
-14.30119597 -1.54250667 20.72126776
0.00013515 -0.00013648 0.00011723
-0.01563373 0.04079990 -0.01124357
1.08652275 3.59383128 -4.67560191
-0.00031381 0.00014208 -0.00009471
0.02864139 0.02919662 -0.01551623
21.04546813 -9.67831397 -3.98212219
-0.00012837 0.00012478 -0.00008655
-0.05294368 0.00149387 0.01393159
2.86812523 -10.80851886 6.87380296
-0.00019845 0.00003436 -0.00011839
0.01247911 -0.00137511 -0.02521597
-1.71290431 -1.60551180 -19.65337326
0.00009970 -0.00001496 0.00036794
-0.02114796 -0.01847089 0.01394265
-0.67605525 4.90707646 -11.25106435
-0.00002017 0.00033127 -0.00022737
-0.03347322 -0.02939966 0.04309629
-4.91579825 15.47450977 13.45313505
-0.00005352 0.00003724 -0.00014956
0.00462602 -0.00610404 0.01855429
-4.97096459 3.02723576 -7.54686952
0.00013930 0.00006034 -0.00054770
-0.01723057 -0.00563789 -0.00846623
-8.70251207 0.22187992 -4.59154910
0.00010373 -0.00012760 0.00013236
-0.02787816 0.00887351 0.03748218
2.89786260 27.91548639 5.76954154
0.00009031 -0.00019249 -0.00004577
0.01381403 -0.00111605 0.03613105
8.74062000 -9.82490197 -2.07052071
-0.00014031 0.00045296 -0.00007497
0.05142687 0.01422637 0.01348612
-6.54772189 1.29857478 9.66191985
0.00018748 -0.00003816 0.00033125
0.01922561 -0.00480254 -0.00026735
19.72052154 9.73455988 6.30125392
-0.00002955 -0.00032012 -0.00038318
0.05751770 0.02200160 -0.01559668
-3.36616053 0.72108766 -24.28187224
0.00012065 -0.00018451 0.00003054
-0.00420485 -0.00175353 0.00717676
-13.57842424 8.41807064 9.50924142
-0.00006431 0.00008264 0.00003983
-0.00298195 -0.00099365 -0.01741454
-13.89963950 5.82405784 -3.93823939
-0.00000171 -0.00029895 -0.00004179
0.00476197 0.01848897 0.00008698
-3.78136734 -15.18242609 21.10535398
-0.00012172 0.00015346 0.00010081
0.00514151 -0.01105102 -0.01810009
-6.10450846 8.42251564 -6.84151819
-0.00031519 0.00031743 0.00040853
0.00431538 -0.02301068 -0.00113246
-19.77473923 30.18507855 1.11437548
0.00007662 0.00008622 0.00022003
-0.01978253 0.00070468 0.00410564
10.42155874 3.54440309 8.16364142
-0.00021018 0.00019824 0.00006256
-0.01497097 -0.05133765 -0.03832777
7.49247107 16.49612798 -11.67952159
-0.00008509 -0.00004493 -0.00007771
-0.00038120 -0.00449898 0.00250972
13.95755475 4.61700016 -0.91135588
0.00022650 -0.00009599 0.00018112
-0.01014509 0.03026206 -0.02650998
-5.48761230 11.98774476 -1.32892868
-0.00023292 -0.00017636 0.00000887
0.03629468 -0.04061713 -0.01513372
8.12642618 11.98011764 5.01231944
0.00028311 -0.00052050 -0.00013694
-0.00191726 0.01984905 -0.00453794
19.82663518 -11.24579591 -10.28477841
0.00004607 0.00008203 -0.00031470
-0.01712860 0.02151982 0.00825604
19.01453372 -5.97420709 -0.31808862
0.00034385 0.00018832 0.00005093
0.00621628 0.00185556 -0.00873104
16.06077175 7.74366316 9.57453512
-0.00013365 -0.00020052 0.00000997
-0.00265413 0.00055301 0.02081108
3.98185689 -14.42801340 16.55198675
-0.00032360 -0.00026508 0.00026514
0.00547554 -0.01780008 -0.02075210
-3.29508475 -2.37278771 -13.66094277
-0.00058988 -0.00029330 -0.00029455
-0.02033312 -0.01627176 -0.00780194
16.03803667 -6.91428948 -13.47405592
0.00026140 0.00059810 0.00030735
-0.00202841 0.00845387 0.00104174
10.67705767 -4.28684771 6.21090378
0.00004470 -0.00013558 0.00036649
-0.04647557 0.00589508 0.02490674
-19.56270198 0.86113870 24.87068609
0.00001745 -0.00013220 0.00031019
0.01995106 0.03670799 0.02098329
24.05010354 -0.78673772 -7.59549553
0.00012479 -0.00006689 0.00020895
-0.00396866 0.01451492 -0.01807180
11.51716125 -9.84124600 -11.24726339
-0.00019513 0.00010454 -0.00002158
-0.01744162 -0.01448105 -0.00812585
-9.66840633 -9.90833092 16.38915305
-0.00022605 -0.00010668 0.00042668
0.00347815 -0.00412245 -0.00761179
7.35580559 0.42633568 -28.50295158
-0.00009121 -0.00029333 -0.00020384
0.01897205 0.00105460 0.00227467
12.62679061 17.74958091 12.21355915
-0.00021767 -0.00017589 0.00006792
-0.00543581 0.00858470 0.00629546
25.92573327 7.31538671 -11.01811140
-0.00004868 0.00007542 -0.00015815
0.02148844 0.01346989 -0.00873388
4.04583647 -29.97939901 -4.75200070
-0.00151104 -0.00003098 0.00023544
0.00472048 -0.00568503 -0.00358204
3.45935102 -30.85237391 -2.12502225
0.00006191 0.00030106 -0.00019122
0.00107157 -0.01099668 -0.01140364
-10.00964606 3.53446925 -8.50404853
0.00099473 0.00027620 -0.00025611
-0.01554648 -0.01954162 -0.01294479
-11.42110695 2.84251869 -11.16123462
0.00028248 -0.00035445 0.00012231
0.00104831 -0.00887544 0.02489777
-37.46093245 3.61683621 3.30489593
0.00100600 -0.00055801 -0.00012090
0.00174402 -0.01872321 0.00045239
-38.76496393 0.85154520 3.38340048
-0.00100304 0.00044240 -0.00005028
0.02556763 0.02665980 0.01134345
-8.73498074 -3.83870981 1.56764038
0.00037952 0.00038464 -0.00031916
-0.00577005 -0.00711874 0.00721136
-6.36616310 -4.71961074 2.87302537
-0.00014022 0.00017453 -0.00092693
-0.00022163 0.00121782 0.00241163
3.53195548 -1.19315459 9.10718625
-0.00099328 0.00069118 0.00023676
0.00700050 -0.00654038 -0.00271721
2.34391875 1.42366992 8.74727462
-0.00017928 -0.00028210 -0.00128030
-0.00870370 -0.01882312 0.01396611
-30.85788813 -0.33336807 3.52987130
-0.00075833 0.00062426 0.00027250
0.01568727 -0.01996281 0.00488189
-32.97443569 1.44333208 2.99630626
-0.00042835 0.00016622 -0.00030487
0.01355972 0.00664137 0.01026638
14.96928862 12.07672047 -18.00816302
-0.00035387 -0.00169105 -0.00124533
0.03330555 0.01937400 0.00228365
17.85574973 12.41163560 -17.15277423
0.00043784 0.00009365 0.00013121
-0.00257063 -0.01212294 -0.00427746
-2.91196854 6.64546007 5.24180854
-0.00043263 -0.00016812 0.00041700
0.00661948 0.01659443 0.00803890
-3.47396937 5.38365058 2.75314178
-0.00122778 0.00036948 -0.00090013
0.00712066 -0.00713538 0.02105969
5.38081034 16.59883954 -8.04962418
0.00137393 -0.00020217 -0.00073928
0.00293137 0.00020477 -0.00753353
6.15134331 18.81221020 -6.33392588
0.00009773 0.00054698 0.00013111
-0.02538125 -0.03263825 0.00295895
8.39141919 6.68480897 -22.85604987
0.00033683 -0.00015833 -0.00019805
-0.00273059 -0.00911238 -0.00651938
9.86084091 7.58509536 -20.41645230
-0.00024550 -0.00019859 0.00131814
-0.03001822 -0.01111804 -0.00387365
19.23951043 20.21255531 -3.99668797
0.00068894 -0.00036087 0.00072794
-0.00651954 -0.02708912 -0.02447123
20.58072663 19.85917274 -6.50425846
0.00033463 -0.00040052 -0.00050403
-0.01933761 -0.02752135 0.01669363
1.74435531 13.17612910 -20.64827676
0.00018855 -0.00036930 -0.00068135
0.01891806 -0.00015304 0.00214505
0.32705760 15.12434170 -21.72580891
0.00049224 -0.00000423 0.00008263
-0.01406351 0.02470744 -0.01561194
9.82799049 -7.04394822 -0.67140781
-0.00009129 0.00012321 0.00049977
0.01283474 0.02178940 0.01512452
9.39191398 -4.13426286 -0.50494519
-0.00016860 -0.00066765 0.00023267
0.01385238 -0.01254804 0.01043133
-17.21809953 -6.15431272 6.56845378
0.00055591 -0.00074196 -0.00001076
0.00439038 0.00103998 0.00057952
-17.98116218 -5.96912047 3.77442879
-0.00070436 0.00103929 -0.00074976
0.01282395 0.00667945 0.00506286
-14.59394192 -0.51243150 19.12661632
0.00049896 -0.00026583 -0.00120744
0.00689699 -0.02049954 0.02209525
-14.91466574 -0.41597689 22.08401267
-0.00030018 0.00039136 0.00008593
0.00817577 -0.01436571 -0.01294162
-0.21528012 3.39734117 -3.48649128
0.00021831 -0.00085678 -0.00023656
-0.02081773 -0.01516887 0.01281649
1.11937409 2.27720910 -5.92583060
-0.00071041 0.00003857 -0.00053588
-0.00672225 -0.01558684 0.00449826
20.43822218 -9.11654790 -5.57082962
0.00065072 0.00005202 0.00016469
-0.01528019 0.00354953 -0.01630770
22.71137423 -9.95331135 -4.35105773
-0.00058187 0.00122747 -0.00101002
0.06323326 -0.00930602 -0.00468936
4.47661556 -11.27219118 5.98509848
0.00149335 -0.00050134 -0.00028548
-0.01985922 0.00830139 0.02052038
2.74639254 -11.72403664 8.43743919
-0.00114483 -0.00020859 0.00046381
0.00893150 -0.00173274 0.00673631
-2.42603571 -3.24968790 -20.18613932
-0.00164451 -0.00072478 -0.00022174
0.00932670 0.00828142 -0.00573532
-2.42369578 -1.42279818 -17.94657892
-0.00041808 -0.00035513 -0.00022929
0.00496155 0.00413459 -0.01136141
1.03339076 5.45971724 -11.08915770
0.00101265 0.00028553 0.00051375
0.01702704 0.00555913 0.00330475
-1.11944785 4.02966143 -9.57380992
0.00129494 0.00017324 0.00041830
0.00894226 0.02452813 -0.04373134
-3.87274362 16.12788866 14.83849528
0.00076597 0.00050577 0.00091149
-0.01008790 0.00559376 -0.00876562
-6.62696061 15.55455446 14.10557980
-0.00033432 0.00046482 -0.00062719
0.00399994 0.00286169 0.00044338
-5.85867474 1.79499962 -6.48781629
0.00023831 0.00037426 0.00048014
0.00689646 0.00378158 -0.00489584
-5.64054213 2.62167599 -9.25786524
-0.00066823 -0.00048204 -0.00050317
0.01018387 0.00022832 0.00953811
-9.70950327 -1.19574036 -3.88054110
0.00015868 -0.00023130 -0.00027651
0.01611172 0.01540860 -0.01293906
-9.36421865 1.67949790 -3.56209705
0.00001374 -0.00167591 0.00031733
0.01314926 -0.02036991 -0.01770372
2.27336851 29.09308013 4.58854195
0.00021214 0.00128562 -0.00038365
-0.01297027 0.00871321 -0.02780305
2.99411734 28.98147348 7.28381155
-0.00056457 -0.00044523 -0.00011473
-0.00229846 -0.01943459 -0.00881605
7.31331531 -9.96039558 -3.07611073
0.00080899 -0.00103320 -0.00029890
-0.04531176 -0.00382049 -0.01860624
8.68677033 -11.00691206 -0.72717595
0.00026982 0.00039097 -0.00030506
-0.00672166 -0.01463622 0.01091428
-5.22539851 -0.07643010 9.23133457
0.00089800 -0.00008364 0.00056410
-0.02838113 0.01330548 0.00917839
-8.21265632 0.68011211 10.10136805
0.00034979 0.00133673 0.00001421
0.01091739 -0.00809634 -0.00461739
19.50212214 9.32845172 8.08279206
-0.00050352 -0.00022518 0.00005573
0.00164713 0.00545655 -0.00324209
21.60330168 10.31771009 5.99546764
0.00000800 0.00035189 -0.00069630
-0.05283066 -0.01804187 0.01822562
-2.78524516 0.11863944 -22.63056915
-0.00058434 0.00087568 -0.00120061
-0.00145274 0.00331135 0.00034325
-5.18510986 0.93722410 -24.09749558
-0.00137323 -0.00022755 0.00014618
0.00931528 -0.00402254 -0.00465438
-12.45855476 9.38545870 10.61098117
-0.00040989 -0.00010475 0.00058860
-0.00313732 0.00415610 -0.00833539
-13.56398452 9.39472666 7.91296666
0.00038341 0.00011005 -0.00026509
0.00040310 -0.00273112 0.01566778
-13.90728317 4.21203767 -4.71934805
0.00057014 0.00088865 0.00031485
0.00139079 -0.01760598 -0.00245882
-15.32799655 6.69481044 -4.74405455
0.00089369 0.00134590 -0.00063675
-0.00188004 -0.00148901 0.00531723
-5.36212926 -16.16116851 21.13166515
0.00064042 -0.00003000 0.00053584
-0.00264224 0.00313994 0.00511886
-3.18759916 -15.66405033 19.42122137
0.00004661 0.00018642 0.00037073
0.00279223 0.00786638 0.01212103
-6.25710998 6.66232303 -6.27215388
-0.00100161 -0.00040079 -0.00005735
0.00700924 0.01018307 -0.00913730
-6.92439601 9.42158691 -5.57333626
-0.00038668 -0.00034266 0.00091442
-0.00828997 0.01095721 0.00114861
-20.46263829 30.96606154 -0.38103018
-0.00043011 0.00048823 0.00018039
0.00625484 -0.00177836 0.00358750
-18.07581665 30.70554646 1.39468969
-0.00080859 0.00028053 -0.00035532
0.01629300 0.00186260 -0.00897700
9.27320093 2.67417933 6.81694367
-0.00025670 0.00024230 -0.00051581
0.02491236 0.02060156 0.03132475
9.81274034 5.19492217 8.39216047
0.00108882 -0.00042858 0.00007067
-0.01721876 0.03622694 0.00241457
8.55237680 17.37932085 -12.88807230
0.00063755 0.00108703 0.00063010
0.00017393 0.00727947 -0.00641000
8.75142191 15.28660584 -11.12242552
-0.00004215 0.00033170 -0.00044716
-0.00479762 -0.00371191 0.00499222
12.98254446 6.07521924 -0.23789204
-0.00120829 0.00000166 0.00109608
0.01439287 -0.02643093 0.00107439
14.19763142 3.36209423 0.34482183
0.00072228 -0.00016181 0.00056442
-0.00802241 -0.01003540 0.03102763
-4.00916730 11.15779084 -2.28009493
-0.00127260 0.00062487 -0.00061779
-0.02790609 0.03199881 0.00775546
-5.53963430 10.57314109 -0.15674462
0.00038446 -0.00061053 -0.00016682
-0.01488851 0.00706200 0.00796121
7.99223346 13.86637633 4.75449032
0.00003805 -0.00186557 -0.00004293
0.00291231 -0.03248565 0.00522854
9.76839398 11.37003991 4.42430052
0.00048782 0.00023940 0.00026168
-0.00539735 0.00605310 0.00023680
18.36906698 -11.85643672 -9.34518930
0.00081011 0.00043691 -0.00030594
0.00285289 0.00802825 0.00480153
20.65228140 -12.77685394 -10.58465966
-0.00089351 0.00081009 -0.00012652
0.02233095 -0.03244856 -0.00475419
19.17573680 -5.62928970 -2.15668654
-0.00094873 0.00087297 0.00073763
-0.00047829 -0.00386010 0.02176832
18.18465913 -7.67080568 -0.21043779
-0.00018749 -0.00004428 -0.00008520
-0.00050980 0.01079081 -0.00699827
15.39548130 9.44965968 9.52859917
-0.00026663 0.00025817 -0.00056302
-0.00185662 -0.00616686 -0.00067310
16.23693513 7.37207190 11.39322940
0.00074581 0.00005052 0.00017885
-0.00269281 0.00475220 -0.01699764
2.63327007 -15.68485203 16.81396018
0.00010098 -0.00112730 0.00024631
0.00073482 0.00269560 0.00685232
3.56056106 -12.77519915 17.09114310
0.00096267 0.00034820 -0.00021470
-0.00894525 0.01788998 0.00982856
-4.08762358 -4.10503398 -13.43946105
0.00016702 -0.00041215 -0.00022146
0.01314587 0.01942595 -0.00267971
-1.54415767 -2.32070432 -13.21268712
-0.00022849 0.00018269 -0.00038856
0.00499520 -0.00381339 0.00595826
16.09119697 -7.75275300 -15.17790672
0.00008426 0.00024672 0.00037636
0.00104473 0.00532885 0.00429122
17.05125507 -7.83035080 -12.26801459
0.00039834 -0.00025131 0.00045845
0.00210857 -0.00089066 0.00057658
9.44993545 -4.65234770 4.88150228
0.00019438 -0.00003130 -0.00041992
0.01826845 0.00178014 0.00253438
12.35007605 -4.73057509 5.80123883
-0.00093242 -0.00032453 0.00011391
0.01663560 -0.00373179 -0.02014112
-20.91374871 -0.31237304 24.80829789
-0.00028943 0.00052375 -0.00090734
-0.02062158 -0.01502702 0.00040017
-19.99335156 2.19168644 26.13910471
0.00033276 0.00055547 -0.00059838
0.00110396 -0.01684943 -0.02187466
25.01916543 -2.35112468 -7.42989521
-0.00090134 -0.00023852 0.00034166
-0.00337672 0.00130746 0.00273902
24.18665351 -0.24001306 -9.41875549
-0.00014903 0.00012977 0.00003794
-0.00232899 -0.01347028 0.01958776
12.50680483 -9.86186686 -9.76605437
0.00066085 -0.00098661 -0.00022718
0.01185528 0.00469003 0.02566007
12.24425405 -8.56839333 -12.28860928
0.00056170 0.00049650 0.00034341
0.00978788 0.01202037 -0.01132000
-9.46024546 -9.22928935 18.04705305
0.00026114 0.00036553 0.00057934
0.00840016 0.00862832 0.00994346
-11.25769554 -10.73774697 16.62492656
0.00002625 0.00143831 -0.00056173
-0.00724012 -0.00461888 -0.00190959
8.63582253 1.28709051 -29.62063532
0.00012971 -0.00149832 -0.00087554
-0.00894718 -0.00956779 0.00184048
5.71533604 1.13378500 -28.75161029
0.00034199 -0.00049960 0.00016098
-0.01038717 0.00364137 -0.00619176
12.46697162 19.53934310 12.47650003
0.00039385 0.00094570 -0.00030920
-0.00750531 0.00277626 0.00659565
14.21138493 17.66495402 11.35729227
0.00028594 -0.00006783 -0.00059240
0.01132270 -0.00803358 -0.01070808
27.59209955 7.54458078 -11.92444675
-0.00000928 0.00027540 -0.00026644
-0.01364846 -0.00077632 0.02469083
26.13150573 7.95161116 -9.26933060
-0.00045428 -0.00081492 -0.00003938
0.00240733 -0.00777714 -0.01174023
-7.32875168 4.60036658 6.69855046
0.00028762 0.00003415 0.00003294
0.00138981 -0.00560112 -0.00551351
-9.10972247 8.77527302 3.84960128
0.00024042 -0.00003506 0.00005652
-0.00159791 0.00023515 -0.00509180
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07681494
0.32285544
430.18869207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.403 s
total exchange = -52.2975174793 (a.u.)
total exchange computation time: 3.0700709820 s
-153.8557006871
-931.39236065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.409 s
total exchange = -52.2978832965 (a.u.)
total exchange computation time: 3.0717630386 s
-153.8537500540
Anderson extrapolation: theta=1.4440541433 (1.4440541433)
-931.39259407
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.405 s
total exchange = -52.2983250904 (a.u.)
total exchange computation time: 3.0735139847 s
-153.8514943335
Anderson extrapolation: theta=0.0902696582 (0.0902696582)
-931.39275705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.416 s
total exchange = -52.2982867440 (a.u.)
total exchange computation time: 3.0691950321 s
-153.8518376567
Anderson extrapolation: theta=2.6141580701 (2.0000000000)
-931.39277118
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.407 s
total exchange = -52.2981745326 (a.u.)
total exchange computation time: 3.0727019310 s
-153.8526853739
Anderson extrapolation: theta=0.5571935138 (0.5571935138)
-931.39279245
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.410 s
total exchange = -52.2981074189 (a.u.)
total exchange computation time: 3.0694918633 s
-153.8530896440
Anderson extrapolation: theta=0.6396387736 (0.6396387736)
-931.39280022
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.406 s
total exchange = -52.2980766989 (a.u.)
total exchange computation time: 3.0716669559 s
-153.8531817657
Anderson extrapolation: theta=0.7383210198 (0.7383210198)
-931.39280422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.407 s
total exchange = -52.2980715436 (a.u.)
total exchange computation time: 3.0692889690 s
-153.8530753503
Anderson extrapolation: theta=0.5570448789 (0.5570448789)
-931.39280649
71.855859 157.168352 -250.167576
548.836740 1079.094130 -415.687792
620.692599 1236.262483 -665.855368
1535.241870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.310 s
total exchange = -52.2980830595 (a.u.)
total exchange computation time: 3.0683779716 s
677.66052056
-1081.37581295
89.94358869
-390.70083370
-174.62218706
76.95517632
551.60419304
0.00000000
-931.39280753
3.91474833 -31.58632057 -3.82368151
-0.00033366 0.00033170 0.00001487
-0.00429979 0.01915820 0.01349700
-11.12046029 2.25884559 -9.32049917
-0.00010854 -0.00006450 -0.00006776
0.01130854 0.02680702 -0.00625759
-37.12941985 1.85280234 3.82701638
-0.00002498 0.00014079 0.00023993
-0.01539740 -0.00926094 -0.00950943
-7.74904156 -3.54455773 3.10452906
-0.00006314 -0.00008365 0.00004479
0.01056666 -0.00304118 -0.01583228
2.13363661 -0.19821287 9.67709891
0.00025773 0.00008921 0.00016633
-0.00580408 0.03428265 -0.01822607
-31.17243329 1.44155834 3.50361707
-0.00002970 -0.00021561 0.00012680
-0.03286189 0.02558500 -0.01884601
16.41417780 13.37444011 -17.76824752
0.00006741 -0.00003423 0.00017528
-0.02812057 -0.02038419 -0.01080462
-3.21178520 4.99367016 4.56277017
0.00006653 -0.00004053 -0.00044468
-0.01543511 -0.01366267 -0.03835935
4.87448363 17.34600186 -6.45560586
-0.00026961 0.00005986 0.00010244
0.03447122 0.03041803 -0.01114101
8.18578638 6.92410347 -21.05156705
0.00029981 0.00052908 -0.00022286
0.02327907 0.01791908 0.01404289
19.38667178 18.84355215 -5.39043128
0.00056209 0.00002392 0.00000275
0.02862720 0.05519651 0.01098792
2.10659293 14.76322320 -21.51438583
-0.00012744 -0.00005966 0.00010764
-0.00240396 -0.02541200 0.01589479
10.49040559 -5.49813613 0.22895373
-0.00005886 -0.00012438 -0.00028793
-0.02051146 -0.00665642 -0.02178953
-16.63161063 -5.48136837 4.96556958
0.00018773 -0.00007527 -0.00012255
-0.02021294 -0.00903943 -0.00865465
-14.29922903 -1.54439652 20.72298290
0.00012683 -0.00011465 0.00011086
-0.01671718 0.04410382 -0.01353171
1.08192613 3.59607516 -4.67708241
-0.00029865 0.00015647 -0.00010378
0.03028947 0.02674072 -0.01974221
21.04333832 -9.67643651 -3.98336667
-0.00015575 0.00012531 -0.00007859
-0.05350903 0.00057589 0.01700090
2.86519657 -10.80800873 6.87192984
-0.00019023 0.00003250 -0.00013122
0.01948588 -0.00585394 -0.02466410
-1.71149043 -1.60580744 -19.64780037
0.00008803 -0.00002658 0.00037380
-0.02424056 -0.02670874 0.00884005
-0.67648699 4.91193204 -11.25430859
-0.00003505 0.00031664 -0.00020446
-0.02438172 -0.02748181 0.04596801
-4.91658316 15.47504480 13.45096322
-0.00004988 0.00003489 -0.00013830
0.00953060 -0.00301768 0.02522147
-4.96894150 3.02811912 -7.55511768
0.00012997 0.00005696 -0.00055203
-0.01907389 -0.00750613 -0.00838963
-8.70106369 0.22000012 -4.58941919
0.00008996 -0.00012423 0.00015084
-0.02565976 0.00422680 0.03441590
2.89927049 27.91259467 5.76899432
0.00009636 -0.00019150 -0.00002944
0.00974279 0.00497741 0.02736260
8.73871373 -9.81805272 -2.07159331
-0.00011329 0.00046053 -0.00006751
0.05363734 0.01521056 0.01555372
-6.54483557 1.29798390 9.66688755
0.00019893 -0.00004007 0.00033076
0.02531434 -0.00264752 -0.00162374
19.72030022 9.72984290 6.29544609
-0.00000009 -0.00030886 -0.00039048
0.05703131 0.02178554 -0.01280867
-3.36436707 0.71831319 -24.28138650
0.00011482 -0.00018411 0.00003180
-0.01843224 0.00331432 -0.00228336
-13.57940042 8.41930637 9.50977165
-0.00006582 0.00008230 0.00003060
-0.00289889 -0.00030581 -0.01846150
-13.89964679 5.81964489 -3.93886585
0.00000044 -0.00028652 -0.00004062
0.00358287 0.02984431 0.00443101
-3.78317336 -15.18016677 21.10679632
-0.00011842 0.00014834 0.00009192
0.00770454 -0.00886739 -0.01648052
-6.10921972 8.42718832 -6.83539466
-0.00031310 0.00030465 0.00040833
0.00380961 -0.02669071 0.00038511
-19.77366620 30.18637461 1.11769177
0.00006447 0.00008643 0.00022115
-0.02748309 0.00011611 0.00025997
10.41834828 3.54717861 8.16443194
-0.00021719 0.00016957 0.00004231
-0.01229459 -0.06015092 -0.04041053
7.49119331 16.49543664 -11.68067748
-0.00008509 -0.00004632 -0.00007720
0.00035614 -0.00091005 -0.00056401
13.96091306 4.61567701 -0.90874131
0.00022040 -0.00007987 0.00016893
-0.01358012 0.03243978 -0.02091481
-5.49096611 11.98494272 -1.32885405
-0.00021512 -0.00019690 0.00000177
0.03290936 -0.03927913 -0.01247478
8.13066551 11.97238666 5.01024788
0.00028200 -0.00051214 -0.00013893
-0.00240204 0.01265544 -0.00320095
19.82726022 -11.24448242 -10.28946700
0.00003708 0.00009556 -0.00031067
-0.01784937 0.03107146 0.00738452
19.01971538 -5.97137508 -0.31735834
0.00034647 0.00018854 0.00004757
0.00400068 -0.00102021 -0.00433364
16.05875676 7.74065750 9.57476501
-0.00013521 -0.00019946 0.00002080
-0.00339564 0.00356635 0.02129082
3.97702402 -14.43205830 16.55588375
-0.00032063 -0.00027423 0.00025442
0.00605422 -0.01776580 -0.02091081
-3.30401144 -2.37724993 -13.66539107
-0.00059931 -0.00030121 -0.00029835
-0.01630330 -0.01450669 -0.00696834
16.04194979 -6.90528542 -13.46944169
0.00026103 0.00060161 0.00030849
0.00060733 0.00519583 0.00338491
10.67754892 -4.28885872 6.21649716
0.00001876 -0.00013233 0.00037890
-0.05439314 0.00676984 0.02335937
-19.56236323 0.85929731 24.87541985
0.00002824 -0.00011338 0.00032064
0.02200402 0.03649250 0.01967550
24.05196000 -0.78768511 -7.59243097
0.00012225 -0.00005868 0.00019943
-0.00589989 0.01741286 -0.01895563
11.51416701 -9.83973382 -11.24761839
-0.00020321 0.00009777 -0.00002553
-0.01397184 -0.01182642 -0.00723646
-9.67178372 -9.90994701 16.39552396
-0.00022210 -0.00010742 0.00042319
0.01190300 0.00123906 -0.00596638
7.35451062 0.42193976 -28.50600039
-0.00008042 -0.00029346 -0.00020247
0.02299266 -0.00155857 0.00305640
12.62350462 17.74697569 12.21460225
-0.00021922 -0.00016954 0.00007069
-0.00060161 0.01611956 0.00445977
25.92508597 7.31656998 -11.02051737
-0.00003772 0.00008216 -0.00016300
0.02114411 0.01275426 -0.01013586
4.02331547 -29.98003793 -4.74857884
-0.00148997 -0.00004874 0.00021662
0.00559288 -0.00300902 -0.00562999
3.46031246 -30.84819496 -2.12824002
0.00006564 0.00025646 -0.00023453
0.00075580 -0.01083422 -0.00979527
-9.99520152 3.53801341 -8.50828687
0.00092484 0.00018972 -0.00031241
-0.01866641 -0.02279009 -0.01461525
-11.41683762 2.83692993 -11.15863697
0.00028553 -0.00038960 0.00022118
0.00044537 -0.00832981 0.02350002
-37.44578900 3.60789232 3.30309623
0.00101074 -0.00062416 -0.00012165
0.00057404 -0.01365503 -0.00081751
-38.77922601 0.85899808 3.38299382
-0.00089448 0.00055250 -0.00000297
0.02757075 0.02723912 0.01181756
-8.72946479 -3.83315831 1.56307393
0.00035500 0.00035639 -0.00028925
-0.00623025 -0.00671154 0.00743197
-6.36827319 -4.71695540 2.85919535
-0.00013943 0.00017821 -0.00091577
0.00060943 0.00058330 0.00305050
3.51727083 -1.18298737 9.11065435
-0.00094717 0.00065080 0.00021908
0.01556879 -0.01322218 -0.00593596
2.34096281 1.41886169 8.72849814
-0.00021582 -0.00036157 -0.00121999
-0.00917994 -0.02007891 0.01555636
-30.86878242 -0.32461582 3.53410836
-0.00069142 0.00052765 0.00029300
0.01706515 -0.02732927 0.00515257
-32.98044546 1.44602887 2.99204781
-0.00036707 0.00019328 -0.00026115
0.01644044 0.00660621 0.01113415
14.96500115 12.05194840 -18.02677301
-0.00020902 -0.00160311 -0.00123253
0.03759800 0.02367271 0.00398058
17.86223858 12.41266886 -17.15093708
0.00042460 0.00004560 0.00011269
-0.00390974 -0.01139665 -0.00478827
-2.91825513 6.64344673 5.24830983
-0.00040570 -0.00010220 0.00044725
0.00656400 0.01567621 0.00677046
-3.49216790 5.38897408 2.74028515
-0.00119617 0.00033976 -0.00080498
0.00835239 -0.00741281 0.02551932
5.40150911 16.59581321 -8.06094430
0.00137990 -0.00019374 -0.00075349
-0.00001107 0.00392115 0.00057747
6.15203153 18.81941481 -6.33186849
-0.00000977 0.00041029 0.00014324
-0.02724329 -0.03427249 0.00297536
8.39638800 6.68215485 -22.85922039
0.00032745 -0.00019449 -0.00022304
-0.00186017 -0.00858952 -0.00571559
9.85623849 7.58177577 -20.39679897
-0.00036522 -0.00024256 0.00129980
-0.02858490 -0.01040265 -0.00510284
19.24964481 20.20631215 -3.98651873
0.00066324 -0.00047165 0.00062483
-0.00606092 -0.02713992 -0.02600129
20.58515344 19.85232162 -6.51130731
0.00025612 -0.00051087 -0.00043498
-0.01909321 -0.02649703 0.01710728
1.74776320 13.17058485 -20.65843127
0.00026501 -0.00037135 -0.00067132
0.01850998 -0.00084671 0.00276671
0.33401028 15.12503541 -21.72504792
0.00042717 0.00009818 0.00001840
-0.01778892 0.02542248 -0.01582491
9.82701448 -7.04143242 -0.66344775
-0.00004091 0.00020712 0.00055803
0.01182427 0.01928603 0.01339312
9.38980949 -4.14466214 -0.50113551
-0.00011555 -0.00071368 0.00027273
0.01211409 -0.00998206 0.00918049
-17.20962642 -6.16541020 6.56831007
0.00057386 -0.00073646 -0.00001215
0.00439871 0.00164961 -0.00125593
-17.99133462 -5.95332639 3.76333760
-0.00064504 0.00106788 -0.00072141
0.01621577 0.00731501 0.00881407
-14.58624618 -0.51704706 19.10918177
0.00052763 -0.00035327 -0.00110842
0.00713970 -0.02230429 0.02637396
-14.91891786 -0.41054663 22.08490502
-0.00026510 0.00032995 0.00002852
0.00899404 -0.01569933 -0.01516179
-0.21264332 3.38402472 -3.48964701
0.00012905 -0.00091845 -0.00017952
-0.02287565 -0.01502259 0.01510506
1.10851202 2.27731009 -5.93373093
-0.00073663 -0.00002049 -0.00051365
-0.00611633 -0.01332394 0.00638430
20.44751482 -9.11565877 -5.56885904
0.00058188 0.00006997 0.00009079
-0.01842133 0.00523338 -0.01986742
22.70458383 -9.93518451 -4.36635173
-0.00031632 0.00118767 -0.00102789
0.06675693 -0.01017744 -0.00405587
4.49840728 -11.27945686 5.98144509
0.00139622 -0.00046332 -0.00019255
-0.02768778 0.01030736 0.02497195
2.72949380 -11.72721863 8.44460279
-0.00110657 -0.00021068 0.00048158
0.00979405 0.00070892 0.00195933
-2.45041751 -3.26030584 -20.18964116
-0.00159816 -0.00067550 -0.00024101
0.01336178 0.01584064 -0.00369752
-2.42981487 -1.42799850 -17.95036643
-0.00039919 -0.00033690 -0.00026984
0.00428192 0.00479199 -0.00848580
1.04910226 5.46417055 -11.08135022
0.00106640 0.00030418 0.00052313
0.00928314 0.00356772 0.00128775
-1.09974971 4.03301167 -9.56887543
0.00132839 0.00027379 0.00023730
0.00743151 0.02469212 -0.04487075
-3.86156313 16.13564657 14.85189910
0.00071303 0.00052222 0.00086233
-0.01582968 0.00246063 -0.01529978
-6.63185282 15.56161445 14.09618560
-0.00031614 0.00047678 -0.00062488
0.00489813 0.00299084 0.00068431
-5.85488874 1.80072940 -6.48076427
0.00026846 0.00039253 0.00045675
0.00786372 0.00516211 -0.00655296
-5.65025345 2.61445240 -9.26512048
-0.00062476 -0.00048046 -0.00046108
0.01109141 0.00054670 0.01106414
-9.70662933 -1.19873774 -3.88508532
0.00022382 -0.00017121 -0.00032925
0.01577254 0.01400904 -0.01287454
-9.36360963 1.65373508 -3.55787957
0.00006336 -0.00174686 0.00025133
0.01114138 -0.01435943 -0.01460449
2.27615312 29.11263139 4.58193527
0.00016675 0.00130656 -0.00048351
-0.00924496 0.00153709 -0.02107890
2.98557842 28.97419948 7.28182046
-0.00057332 -0.00052269 -0.00014673
-0.00198846 -0.01847989 -0.00684910
7.32406172 -9.97601070 -3.08116437
0.00061814 -0.00104954 -0.00038025
-0.04811454 -0.00417611 -0.02121564
8.69061159 -11.00149608 -0.73141741
0.00024311 0.00032959 -0.00025886
-0.00635291 -0.01540763 0.01170176
-5.21279820 -0.07727692 9.24007729
0.00077848 -0.00002902 0.00060170
-0.03012377 0.01342720 0.00922657
-8.20707497 0.69991502 10.10143977
0.00038499 0.00129811 -0.00000237
0.00631231 -0.01080944 -0.00349953
19.49461981 9.32524126 8.08352866
-0.00049493 -0.00020117 0.00003590
0.00255710 0.00629644 -0.00646306
21.60180279 10.32243564 5.98558156
-0.00020835 0.00027689 -0.00062046
-0.05307437 -0.01867437 0.01890087
-2.79405482 0.13187609 -22.64856778
-0.00058205 0.00088118 -0.00117735
0.00257399 -0.00061752 0.01104490
-5.20542292 0.93368764 -24.09544557
-0.00131438 -0.00024637 0.00012442
0.01949214 -0.00519207 -0.00599326
-12.46479920 9.38401485 10.61955475
-0.00042307 -0.00008770 0.00055343
-0.00331806 0.00419049 -0.00888308
-13.55822105 9.39629375 7.90947035
0.00038512 0.00009746 -0.00019761
0.00043703 -0.00343355 0.01736628
-13.89868841 4.22482792 -4.71470068
0.00057477 0.00079823 0.00029443
0.00087618 -0.02665605 -0.00753585
-15.31464885 6.71495324 -4.75344288
0.00088881 0.00133474 -0.00061345
-0.00050490 -0.00397220 0.00609082
-5.35260397 -16.16152236 21.13985953
0.00062320 -0.00002050 0.00055625
-0.00578733 0.00151153 0.00487584
-3.18681441 -15.66101300 19.42715376
0.00005889 0.00021780 0.00041716
0.00321888 0.00749370 0.01060893
-6.27191933 6.65662325 -6.27329414
-0.00097164 -0.00035219 -0.00009707
0.00766051 0.01360642 -0.01030359
-6.93045027 9.41678283 -5.55958477
-0.00042021 -0.00029806 0.00091830
-0.00812266 0.01087193 0.00074861
-20.46889829 30.97333055 -0.37821438
-0.00040296 0.00047803 0.00019996
0.00703783 -0.00321555 0.00598979
-18.08744630 30.70981149 1.38908474
-0.00072787 0.00029230 -0.00038938
0.02322048 0.00389912 -0.00769199
9.27011383 2.67844506 6.81016637
-0.00015411 0.00032794 -0.00038578
0.02530526 0.02132236 0.03232919
9.82854499 5.18960359 8.39329457
0.00101210 -0.00026456 0.00008228
-0.02033772 0.04406080 0.00326647
8.56194543 17.39584941 -12.87881724
0.00063328 0.00111303 0.00060850
-0.00226606 0.00544587 -0.00416430
8.75064270 15.29146766 -11.12897999
-0.00005842 0.00031253 -0.00042494
-0.00316678 -0.00567254 0.00588598
12.96486118 6.07443424 -0.22141793
-0.00114141 -0.00011602 0.00109467
0.01834322 -0.03117310 -0.00176268
14.20821981 3.35935961 0.35423896
0.00068844 -0.00019783 0.00068553
-0.00854152 -0.00759737 0.02825596
-4.02911150 11.16814447 -2.28912407
-0.00137955 0.00075147 -0.00058976
-0.02444536 0.02997142 0.00596275
-5.53432362 10.56419949 -0.15900294
0.00032414 -0.00057954 -0.00013610
-0.01463640 0.00811140 0.00707503
7.99289348 13.83739733 4.75400662
0.00004857 -0.00198145 -0.00002345
0.00223803 -0.02423905 0.00430711
9.77554591 11.37381636 4.42823302
0.00046801 0.00026206 0.00026184
-0.00430291 0.00504178 -0.00016055
18.38130612 -11.84963710 -9.34963132
0.00081212 0.00046771 -0.00028043
-0.00187215 0.00705133 0.00768573
20.63956306 -12.76569684 -10.58670317
-0.00079149 0.00066023 -0.00015026
0.02760934 -0.04091356 -0.00686505
19.16149115 -5.61631341 -2.14495504
-0.00094911 0.00085830 0.00081762
0.00029385 -0.00332276 0.01738801
18.18183119 -7.67113926 -0.21193022
-0.00018730 0.00000379 -0.00011365
0.00060015 0.01273965 -0.00692749
15.39142498 9.45334320 9.52013328
-0.00027150 0.00022591 -0.00056439
-0.00053046 -0.00962388 0.00000301
16.24803976 7.37297526 11.39539133
0.00073384 0.00007104 0.00010734
-0.00316614 0.00529694 -0.01800998
2.63480733 -15.70167889 16.81786474
0.00010480 -0.00111170 0.00027524
0.00113410 0.00494092 0.00731041
3.57472696 -12.76942800 17.08822371
0.00092419 0.00041738 -0.00017486
-0.00988840 0.01597609 0.00967645
-4.08471542 -4.11062095 -13.44286499
0.00021835 -0.00033530 -0.00023203
0.01197741 0.01819482 -0.00249611
-1.54743196 -2.31808077 -13.21833289
-0.00021370 0.00016704 -0.00036591
0.00224390 -0.00385006 0.00512911
16.09249287 -7.74888898 -15.17212986
0.00008787 0.00026875 0.00039346
0.00072147 0.00545521 0.00407989
17.05729480 -7.83414766 -12.26112021
0.00040173 -0.00024962 0.00045507
-0.00045080 0.00171485 -0.00222881
9.45341091 -4.65276270 4.87528121
0.00027124 -0.00002267 -0.00040412
0.01935599 0.00244692 0.00519764
12.33659955 -4.73555738 5.80233029
-0.00085018 -0.00034311 0.00002947
0.02362045 -0.00536229 -0.02119418
-20.91872204 -0.30497719 24.79469998
-0.00037550 0.00046166 -0.00090492
-0.02151058 -0.01536743 0.00078784
-19.98832635 2.19950214 26.12945872
0.00033515 0.00048815 -0.00068521
0.00006803 -0.01610129 -0.02063146
25.00554179 -2.35466241 -7.42468645
-0.00091135 -0.00023782 0.00035257
-0.00152153 -0.00096723 0.00260156
24.18434664 -0.23847934 -9.41758620
-0.00015794 0.00007356 0.00011959
-0.00202857 -0.01404114 0.02038134
12.51708085 -9.87652237 -9.76867572
0.00070550 -0.00096792 -0.00012785
0.01000151 0.00446102 0.02296046
12.25297949 -8.56057742 -12.28380503
0.00059867 0.00054089 0.00030092
0.00830985 0.00970555 -0.00947986
-9.45607100 -9.22354203 18.05604788
0.00029356 0.00039715 0.00061332
0.00747204 0.00685282 0.00668767
-11.25752362 -10.71631381 16.61644207
-0.00001844 0.00141223 -0.00056649
-0.01463690 -0.00815051 -0.00041931
8.63749408 1.26432257 -29.63371205
0.00009251 -0.00153547 -0.00086711
-0.00926668 -0.00862026 0.00228788
5.72014765 1.12640266 -28.74938532
0.00029220 -0.00048102 0.00013402
-0.01398514 0.00544886 -0.00700365
12.47264937 19.55361364 12.47206412
0.00036433 0.00094159 -0.00028434
-0.00694238 -0.00478894 0.00557609
14.21602093 17.66369042 11.34807808
0.00032112 -0.00010051 -0.00063045
0.00590216 -0.00796395 -0.00791691
27.59154208 7.54868805 -11.92768680
-0.00006519 0.00027209 -0.00016506
-0.01371690 -0.00084435 0.02493770
26.12476534 7.93914899 -9.27028104
-0.00044329 -0.00084484 -0.00008437
0.00297226 -0.00686931 -0.01028515
-7.32443366 4.60086373 6.69902971
0.00028812 0.00003210 0.00003097
0.00142353 -0.00585463 -0.00545658
-9.10611902 8.77474754 3.85044016
0.00024008 -0.00003499 0.00005536
-0.00133268 0.00040298 -0.00486869
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07676985
0.31603767
421.10435413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.224 s
total exchange = -52.2948296999 (a.u.)
total exchange computation time: 3.0710759163 s
-153.8453099422
-931.38487481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.225 s
total exchange = -52.2951813497 (a.u.)
total exchange computation time: 3.0684340000 s
-153.8435955119
Anderson extrapolation: theta=1.3444521385 (1.3444521385)
-931.38509708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.136 s
total exchange = -52.2956035524 (a.u.)
total exchange computation time: 3.0704200268 s
-153.8417087703
Anderson extrapolation: theta=0.0529488924 (0.0529488924)
-931.38523067
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.136 s
total exchange = -52.2955800088 (a.u.)
total exchange computation time: 3.0702929497 s
-153.8420179804
Anderson extrapolation: theta=1.9999687548 (1.9999687548)
-931.38523617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.137 s
total exchange = -52.2955138324 (a.u.)
total exchange computation time: 3.0701282024 s
-153.8427412442
Anderson extrapolation: theta=0.2365150184 (0.2365150184)
-931.38524263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.136 s
total exchange = -52.2954917105 (a.u.)
total exchange computation time: 3.0707039833 s
-153.8429139922
Anderson extrapolation: theta=1.8843248902 (1.8843248902)
-931.38524406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.140 s
total exchange = -52.2954621812 (a.u.)
total exchange computation time: 3.0694580078 s
-153.8430946356
Anderson extrapolation: theta=0.2962549140 (0.2962549140)
-931.38524605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.133 s
total exchange = -52.2954657726 (a.u.)
total exchange computation time: 3.0709600449 s
-153.8430119100
Anderson extrapolation: theta=1.3380733521 (1.3380733521)
-931.38524661
71.886192 157.143717 -250.226773
548.808278 1079.105405 -415.723919
620.694470 1236.249122 -665.950692
1535.273214
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0622093023
ExchangeOperator: pair fraction: ispin=0: 0.1572958356
ExchangeOperator: bisection time: 4.136 s
total exchange = -52.2954788418 (a.u.)
total exchange computation time: 3.0693869591 s
677.63309180
-1081.30819151
89.94594894
-390.74455329
-174.61606427
76.91735844
551.60419304
0.00000000
-931.38524717
3.90972691 -31.58127121 -3.82340633
-0.00033585 0.00034067 0.00002173
-0.00423970 0.01572215 0.01315474
-11.12204477 2.25798143 -9.32153970
-0.00010192 -0.00005029 -0.00007018
0.01441518 0.02847880 -0.00314188
-37.12985389 1.85487839 3.83057860
-0.00003301 0.00013455 0.00023530
-0.01585643 -0.01500433 -0.00848570
-7.74994784 -3.54582428 3.10513983
-0.00005782 -0.00008517 0.00003648
0.01008780 -0.00285282 -0.01649083
2.13748025 -0.19674249 9.67952353
0.00025263 0.00010868 0.00015750
-0.01403111 0.04144232 -0.01610341
-31.17300561 1.43842282 3.50544635
-0.00004748 -0.00020074 0.00011689
-0.03625594 0.03225842 -0.01967456
16.41508047 13.37384805 -17.76565996
0.00005245 -0.00004575 0.00016959
-0.03004046 -0.02443552 -0.01131560
-3.21084686 4.99300946 4.55595201
0.00005840 -0.00004710 -0.00046492
-0.01617924 -0.01188286 -0.04036893
4.87057238 17.34701709 -6.45411228
-0.00025090 0.00007487 0.00009474
0.03831895 0.02793693 -0.01880481
8.19037331 6.93210878 -21.05485579
0.00031104 0.00053790 -0.00021575
0.02039126 0.01637624 0.01362766
19.39521359 18.84412391 -5.39034762
0.00057643 0.00005180 0.00000861
0.02713373 0.05322063 0.01178688
2.10467200 14.76223025 -21.51270991
-0.00012772 -0.00007261 0.00011570
0.00131230 -0.02492648 0.01546510
10.48944360 -5.50002755 0.22455069
-0.00006850 -0.00012769 -0.00029820
-0.01698541 -0.00618835 -0.01814910
-16.62887271 -5.48253224 4.96369794
0.00017657 -0.00008017 -0.00012740
-0.02316404 -0.01001298 -0.01020863
-14.29739106 -1.54594613 20.72459364
0.00011807 -0.00009140 0.00010339
-0.01734576 0.04631922 -0.01554218
1.07756318 3.59852533 -4.67871522
-0.00028295 0.00016950 -0.00011479
0.03078629 0.02394133 -0.02309488
21.04079571 -9.67455461 -3.98448000
-0.00018263 0.00012530 -0.00006941
-0.05104797 -0.00061424 0.01871932
2.86241825 -10.80754376 6.86986643
-0.00017877 0.00002843 -0.00014359
0.02509815 -0.00999428 -0.02346518
-1.71026356 -1.60630914 -19.64215929
0.00007490 -0.00004214 0.00037701
-0.02680987 -0.03380544 0.00363466
-0.67710682 4.91657560 -11.25719821
-0.00004519 0.00030314 -0.00018034
-0.01503856 -0.02502355 0.04782348
-4.91729453 15.47555655 13.44898596
-0.00004388 0.00003404 -0.00012387
0.01379805 -0.00031383 0.03091754
-4.96706556 3.02894458 -7.56343055
0.00011975 0.00005274 -0.00055625
-0.02066542 -0.00891457 -0.00801016
-8.69981327 0.21815292 -4.58702377
0.00007756 -0.00012331 0.00016749
-0.02254505 -0.00064114 0.03030309
2.90075354 27.90974136 5.76865820
0.00010035 -0.00018744 -0.00001775
0.00573689 0.01081749 0.01812264
8.73722125 -9.81108612 -2.07254591
-0.00008572 0.00046841 -0.00005927
0.05358533 0.01544971 0.01647988
-6.54175395 1.29737260 9.67184273
0.00021344 -0.00004081 0.00032962
0.03109253 -0.00022369 -0.00283317
19.72051888 9.72529399 6.28953945
0.00002882 -0.00029781 -0.00039634
0.05538433 0.02120575 -0.00995399
-3.36271581 0.71556429 -24.28091837
0.00010199 -0.00018112 0.00002797
-0.03146011 0.00830614 -0.01258803
-13.58039897 8.42053974 9.51015946
-0.00006730 0.00008225 0.00002094
-0.00285370 0.00010424 -0.01909135
-13.89962643 5.81546217 -3.93945812
0.00000196 -0.00026840 -0.00003729
0.00234269 0.04064116 0.00853135
-3.78491995 -15.17797585 21.10811151
-0.00011385 0.00014439 0.00008398
0.01005572 -0.00649530 -0.01440165
-6.11390160 8.43165510 -6.82926816
-0.00031133 0.00029021 0.00040894
0.00310492 -0.02944107 0.00195998
-19.77280520 30.18767158 1.12101006
0.00004856 0.00008635 0.00022042
-0.03435761 -0.00044075 -0.00310765
10.41504297 3.54949009 8.16491071
-0.00022288 0.00013695 0.00002123
-0.00982408 -0.06666667 -0.04155791
7.48991829 16.49473829 -11.68183773
-0.00008471 -0.00004585 -0.00007827
0.00114690 0.00275526 -0.00357279
13.96416661 4.61460413 -0.90628808
0.00021274 -0.00006307 0.00015972
-0.01620870 0.03288602 -0.01486800
-5.49406604 11.98183766 -1.32887566
-0.00019930 -0.00021659 -0.00000381
0.02861605 -0.03726464 -0.00919436
8.13488631 11.96475331 5.00815163
0.00028070 -0.00050778 -0.00014018
-0.00265130 0.00431601 -0.00166694
19.82774755 -11.24292923 -10.29409862
0.00002799 0.00011361 -0.00030723
-0.01748839 0.03913281 0.00601905
19.02492791 -5.96855095 -0.31666149
0.00034800 0.00018730 0.00004660
0.00193687 -0.00378108 0.00056002
16.05671557 7.73767935 9.57515916
-0.00013713 -0.00019691 0.00003171
-0.00408121 0.00636367 0.02111937
3.97223786 -14.43624025 16.55961943
-0.00031742 -0.00028309 0.00024371
0.00644651 -0.01670404 -0.02076440
-3.31306391 -2.38182408 -13.66989313
-0.00060655 -0.00030809 -0.00030171
-0.01188059 -0.01224923 -0.00612784
16.04586760 -6.89624127 -13.46480136
0.00026198 0.00060344 0.00031079
0.00308356 0.00195232 0.00558692
10.67762055 -4.29081751 6.22227076
-0.00001080 -0.00012866 0.00039052
-0.06056678 0.00748972 0.02184546
-19.56185473 0.85773744 24.88030540
0.00003984 -0.00009504 0.00033029
0.02309048 0.03480236 0.01783606
24.05377095 -0.78849818 -7.58951265
0.00011874 -0.00004906 0.00018960
-0.00774486 0.02001604 -0.01928020
11.51106498 -9.83831288 -11.24802922
-0.00020928 0.00009245 -0.00002889
-0.00964645 -0.00886706 -0.00582187
-9.67506927 -9.91155355 16.40184885
-0.00021384 -0.00010545 0.00042064
0.02021089 0.00643100 -0.00397830
7.35339303 0.41753181 -28.50902563
-0.00006773 -0.00029488 -0.00020070
0.02635574 -0.00397002 0.00381686
12.62021399 17.74449483 12.21567976
-0.00021825 -0.00015946 0.00007246
0.00436045 0.02307677 0.00244577
25.92460180 7.31785164 -11.02300153
-0.00002707 0.00008851 -0.00016856
0.02026335 0.01191765 -0.01146446
4.00113723 -29.98086126 -4.74550201
-0.00146550 -0.00005541 0.00018943
0.00638987 -0.00025523 -0.00768005
3.46132022 -30.84468001 -2.13205810
0.00006792 0.00021295 -0.00027048
0.00036006 -0.01046521 -0.00780101
-9.98190098 3.54016086 -8.51342092
0.00084338 0.00009141 -0.00037455
-0.02120745 -0.02533266 -0.01580105
-11.41254100 2.83083067 -11.15459910
0.00028601 -0.00042225 0.00031346
-0.00020920 -0.00765015 0.02167204
-37.43061037 3.59811156 3.30124642
0.00101072 -0.00066861 -0.00012793
-0.00058368 -0.00810416 -0.00225551
-38.79179838 0.86812034 3.38331140
-0.00077879 0.00066406 0.00004595
0.02906238 0.02736819 0.01213043
-8.72433067 -3.82801814 1.55896297
0.00032853 0.00032978 -0.00025857
-0.00672909 -0.00631600 0.00758318
-6.37034593 -4.71426431 2.84555228
-0.00013520 0.00017930 -0.00090204
0.00146022 -0.00005317 0.00367067
3.50354033 -1.17363049 9.11375866
-0.00086637 0.00058330 0.00018821
0.02398387 -0.01982236 -0.00917761
2.33744427 1.41282290 8.71067505
-0.00025405 -0.00044492 -0.00115390
-0.00953359 -0.02072471 0.01679486
-30.87863086 -0.31753848 3.53866121
-0.00061942 0.00040267 0.00031455
0.01818006 -0.03384968 0.00540002
-32.98544765 1.44913053 2.98847173
-0.00029527 0.00022005 -0.00021422
0.01870347 0.00649490 0.01183662
14.96301791 12.02862715 -18.04513905
-0.00004881 -0.00149918 -0.00121301
0.04082707 0.02720350 0.00557427
17.86848782 12.41300366 -17.14939339
0.00040582 0.00000073 0.00009204
-0.00528695 -0.01056819 -0.00532184
-2.92413944 6.64239412 5.25522606
-0.00037925 -0.00004142 0.00047172
0.00638109 0.01407770 0.00520788
-3.50985455 5.39384327 2.72899249
-0.00115971 0.00030919 -0.00069339
0.00949693 -0.00754812 0.02910216
5.42220720 16.59302719 -8.07222902
0.00137385 -0.00017074 -0.00073586
-0.00294626 0.00734199 0.00805730
6.15105011 18.82451899 -6.32962876
-0.00012355 0.00026842 0.00015556
-0.02845062 -0.03517288 0.00305879
8.40124281 6.67897431 -22.86274119
0.00032155 -0.00022847 -0.00024426
-0.00102818 -0.00804358 -0.00467178
9.84988421 7.57781865 -20.37745838
-0.00047808 -0.00028330 0.00127678
-0.02665779 -0.00954177 -0.00616538
19.25940775 20.19840568 -3.97794301
0.00063935 -0.00058161 0.00051654
-0.00563663 -0.02668555 -0.02700801
20.58841011 19.84384660 -6.51730773
0.00017967 -0.00061608 -0.00036528
-0.01832940 -0.02500326 0.01701156
1.75230549 13.16498871 -20.66841622
0.00033943 -0.00037624 -0.00065873
0.01791930 -0.00154870 0.00339164
0.33987274 15.12728716 -21.72525677
0.00034829 0.00020284 -0.00004633
-0.02082626 0.02580780 -0.01586231
9.82676313 -7.03773466 -0.65466688
0.00000476 0.00027941 0.00060853
0.01053195 0.01609950 0.01132798
9.38844743 -4.15567317 -0.49676318
-0.00007032 -0.00074842 0.00030727
0.01002843 -0.00702355 0.00772671
-17.20088373 -6.17640658 6.56808939
0.00059173 -0.00072851 -0.00002089
0.00434666 0.00224395 -0.00302423
-18.00051326 -5.93708401 3.75278659
-0.00057280 0.00109851 -0.00067853
0.01914630 0.00767647 0.01217451
-14.57811288 -0.52302956 19.09336358
0.00055692 -0.00044695 -0.00099347
0.00719615 -0.02355315 0.02989816
-14.92261878 -0.40607852 22.08486816
-0.00022717 0.00026393 -0.00003687
0.00957390 -0.01661390 -0.01684550
-0.21140848 3.36978760 -3.49187701
0.00003343 -0.00097921 -0.00011491
-0.02393195 -0.01471821 0.01652529
1.09727510 2.27659451 -5.94123998
-0.00076028 -0.00007008 -0.00048364
-0.00546103 -0.01095097 0.00830272
20.45567848 -9.11444891 -5.56810606
0.00050108 0.00009415 0.00000376
-0.02112761 0.00660422 -0.02273194
22.70188472 -9.91768140 -4.38189429
-0.00004320 0.00114553 -0.00104190
0.06693462 -0.01044643 -0.00280286
4.51850213 -11.28609084 5.97932213
0.00127003 -0.00041782 -0.00008349
-0.03408424 0.01196396 0.02840961
2.71319530 -11.73035718 8.45188648
-0.00106471 -0.00020286 0.00047988
0.01069765 0.00312255 -0.00278978
-2.47398043 -3.26995296 -20.19336960
-0.00153595 -0.00059750 -0.00025243
0.01708752 0.02234415 -0.00189151
-2.43567155 -1.43290514 -17.95467399
-0.00038344 -0.00031599 -0.00029800
0.00343038 0.00544226 -0.00530209
1.06538269 5.46884251 -11.07346382
0.00108863 0.00031481 0.00052408
0.00160158 0.00163660 -0.00082150
-1.07959612 4.03787519 -9.56669090
0.00135517 0.00037393 0.00005368
0.00567588 0.02432725 -0.04501287
-3.85135277 16.14355529 14.86436524
0.00063816 0.00052672 0.00078833
-0.02081834 -0.00025898 -0.02092587
-6.63644483 15.56885774 14.08683334
-0.00029454 0.00048923 -0.00062158
0.00567576 0.00310418 0.00093202
-5.85062080 1.80677555 -6.47411385
0.00030234 0.00041602 0.00042681
0.00872045 0.00633766 -0.00810160
-5.65928503 2.60726231 -9.27169765
-0.00057775 -0.00047775 -0.00041332
0.01192079 0.00077879 0.01231524
-9.70278875 -1.20087655 -3.89041857
0.00028680 -0.00011794 -0.00038124
0.01505896 0.01206471 -0.01257430
-9.36231780 1.62709221 -3.55455713
0.00010394 -0.00179170 0.00019936
0.00871996 -0.00759176 -0.01083619
2.27837114 29.13227686 4.57403674
0.00013649 0.00129804 -0.00055584
-0.00557154 -0.00570418 -0.01432730
2.97691764 28.96579292 7.27940961
-0.00058086 -0.00059545 -0.00016993
-0.00170012 -0.01714052 -0.00450654
7.33185938 -9.99188176 -3.08751823
0.00042017 -0.00106699 -0.00046923
-0.04879212 -0.00436483 -0.02234242
8.69406351 -10.99702437 -0.73494172
0.00021798 0.00026600 -0.00021047
-0.00594518 -0.01572127 0.01198739
-5.20204407 -0.07730083 9.24938547
0.00065269 0.00002544 0.00063919
-0.03145100 0.01323299 0.00912827
-8.20110677 0.71905547 10.10129701
0.00040102 0.00124863 -0.00001434
0.00153777 -0.01341036 -0.00236223
19.48727420 9.32241669 8.08386916
-0.00048278 -0.00017385 0.00000336
0.00339042 0.00707328 -0.00946936
21.59705117 10.32601670 5.97685384
-0.00042375 0.00019994 -0.00054240
-0.05236696 -0.01899113 0.01931006
-2.80270674 0.14507488 -22.66588951
-0.00056294 0.00087040 -0.00110897
0.00678369 -0.00465842 0.02242759
-5.22454139 0.92983297 -24.09376286
-0.00121671 -0.00026952 0.00009753
0.02832101 -0.00614074 -0.00717207
-12.47124699 9.38282781 10.62758392
-0.00043685 -0.00007048 0.00051623
-0.00342558 0.00423840 -0.00932624
-13.55243081 9.39765040 7.90703837
0.00038686 0.00008245 -0.00012412
0.00041344 -0.00391464 0.01860974
-13.89003995 4.23598452 -4.71051515
0.00057746 0.00067189 0.00025366
0.00043915 -0.03518516 -0.01242048
-15.30133210 6.73485259 -4.76245793
0.00088949 0.00131328 -0.00058699
0.00083381 -0.00652955 0.00686116
-5.34343337 -16.16178358 21.14835274
0.00059330 -0.00001770 0.00057565
-0.00884727 -0.00013943 0.00462083
-3.18583239 -15.65751640 19.43373632
0.00007312 0.00024742 0.00045672
0.00374417 0.00700753 0.00875589
-6.28625920 6.65175735 -6.27506587
-0.00093920 -0.00029030 -0.00014094
0.00821916 0.01669100 -0.01117448
-6.93700234 9.41264505 -5.54578740
-0.00045265 -0.00025434 0.00091991
-0.00775704 0.01052851 0.00004035
-20.47472698 30.98040250 -0.37503149
-0.00037297 0.00046223 0.00022868
0.00764178 -0.00451834 0.00807201
-18.09765286 30.71431549 1.38300838
-0.00062010 0.00031203 -0.00041840
0.02953507 0.00575668 -0.00651282
9.26857760 2.68401754 6.80537041
-0.00005091 0.00041570 -0.00025284
0.02520987 0.02163554 0.03274192
9.84310321 5.18698532 8.39462885
0.00092424 -0.00007206 0.00009698
-0.02266873 0.05017151 0.00392885
8.57137518 17.41271172 -12.86981740
0.00061891 0.00113119 0.00059615
-0.00476680 0.00344516 -0.00187713
8.74966940 15.29598184 -11.13517374
-0.00006803 0.00028552 -0.00039924
-0.00154101 -0.00755315 0.00669472
12.94830208 6.07173877 -0.20505186
-0.00105960 -0.00025086 0.00108236
0.02170625 -0.03483391 -0.00426676
14.21828471 3.35615937 0.36538779
0.00065230 -0.00022280 0.00079395
-0.00915215 -0.00462544 0.02481386
-4.05055386 11.18033494 -2.29778776
-0.00147083 0.00086875 -0.00057013
-0.02023395 0.02743997 0.00364757
-5.52990995 10.55575499 -0.16082767
0.00026499 -0.00054446 -0.00010903
-0.01431920 0.00906096 0.00617739
7.99369067 13.80693282 4.75378689
0.00005592 -0.00206081 -0.00000811
0.00135832 -0.01460765 0.00320300
9.78243414 11.37790179 4.43215567
0.00045265 0.00028072 0.00026036
-0.00321360 0.00408925 -0.00056133
18.39343052 -11.84240533 -9.35360232
0.00079469 0.00049431 -0.00024293
-0.00665992 0.00596801 0.01067270
20.62853679 -12.75704717 -10.58916742
-0.00066989 0.00047884 -0.00018191
0.03191272 -0.04787467 -0.00862788
19.14726352 -5.60354075 -2.13215789
-0.00094642 0.00084618 0.00087860
0.00102060 -0.00260717 0.01246039
18.17904003 -7.67069207 -0.21384720
-0.00018281 0.00005919 -0.00014166
0.00160008 0.01438011 -0.00678474
15.38733616 9.45643691 9.51166758
-0.00027122 0.00018021 -0.00056301
0.00066968 -0.01274720 0.00067074
16.25895036 7.37420324 11.39644949
0.00072006 0.00009353 0.00003273
-0.00357970 0.00571125 -0.01851209
2.63641410 -15.71820295 16.82221733
0.00011009 -0.00108718 0.00030600
0.00145269 0.00706011 0.00774696
3.58828684 -12.76267773 17.08589735
0.00088232 0.00047698 -0.00013619
-0.01060617 0.01319908 0.00925112
-4.08107321 -4.11509283 -13.44642191
0.00026457 -0.00026433 -0.00024172
0.01064850 0.01654157 -0.00224547
-1.55056873 -2.31569318 -13.22366431
-0.00021042 0.00015121 -0.00034673
-0.00063955 -0.00389674 0.00425977
16.09383298 -7.74469063 -15.16610295
0.00009018 0.00029123 0.00040964
0.00041152 0.00555233 0.00384103
17.06330691 -7.83783944 -12.25436243
0.00039492 -0.00023743 0.00044053
-0.00288065 0.00425283 -0.00488864
9.45807261 -4.65302773 4.86937868
0.00035154 -0.00001152 -0.00037822
0.01994989 0.00301209 0.00748254
12.32457066 -4.74086831 5.80212283
-0.00074164 -0.00036776 -0.00005868
0.02950987 -0.00670372 -0.02195658
-20.92501368 -0.29852315 24.78115036
-0.00046322 0.00039987 -0.00090087
-0.02143168 -0.01488037 0.00119476
-19.98329697 2.20633105 26.11854830
0.00033304 0.00042502 -0.00076603
-0.00110404 -0.01480229 -0.01892721
24.99182490 -2.35825942 -7.41931825
-0.00091397 -0.00024627 0.00036293
0.00023953 -0.00316707 0.00247123
24.18191544 -0.23780614 -9.41516781
-0.00016557 0.00001544 0.00020341
-0.00170840 -0.01441307 0.02065160
12.52796982 -9.89090447 -9.76988990
0.00074139 -0.00094995 -0.00004115
0.00756592 0.00433337 0.01948076
12.26221421 -8.55216670 -12.27958176
0.00062913 0.00057505 0.00026654
0.00659951 0.00701721 -0.00734735
-9.45143860 -9.21737473 18.06545257
0.00032193 0.00042122 0.00063350
0.00641387 0.00492798 0.00319310
-11.25824874 -10.69538016 16.60793188
-0.00009287 0.00137242 -0.00056532
-0.02179828 -0.01133474 0.00099010
8.63859770 1.24102632 -29.64664856
0.00005415 -0.00156864 -0.00085703
-0.00950816 -0.00761577 0.00264731
5.72410217 1.11935425 -28.74758959
0.00022875 -0.00045554 0.00010394
-0.01707624 0.00702648 -0.00772398
12.47790166 19.56759067 12.46796994
0.00033700 0.00090758 -0.00026344
-0.00643797 -0.01185655 0.00465438
14.22101865 17.66193873 11.33837869
0.00033408 -0.00013278 -0.00065697
0.00043935 -0.00783068 -0.00506145
27.59014396 7.55274358 -11.92939852
-0.00012042 0.00026856 -0.00006345
-0.01332247 -0.00088734 0.02480053
26.11820711 7.92626582 -9.27186182
-0.00043005 -0.00087092 -0.00012281
0.00350644 -0.00589537 -0.00853091
-7.32010799 4.60132944 6.69947967
0.00028863 0.00002996 0.00002903
0.00143445 -0.00608498 -0.00541073
-9.10252021 8.77422346 3.85126209
0.00023977 -0.00003489 0.00005424
-0.00131350 0.00045533 -0.00480016
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07672155
0.30852563
411.09492763
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.866 s
total exchange = -52.2942201763 (a.u.)
total exchange computation time: 2.9776110649 s
-153.8418436409
-931.37756787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.860 s
total exchange = -52.2945055524 (a.u.)
total exchange computation time: 2.9770581722 s
-153.8406619402
Anderson extrapolation: theta=1.3445239211 (1.3445239211)
-931.37780833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.865 s
total exchange = -52.2948367985 (a.u.)
total exchange computation time: 2.9780459404 s
-153.8394964183
Anderson extrapolation: theta=0.0514298418 (0.0514298418)
-931.37795196
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.871 s
total exchange = -52.2948060962 (a.u.)
total exchange computation time: 2.9787590504 s
-153.8398567633
Anderson extrapolation: theta=1.9093350060 (1.9093350060)
-931.37795729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.862 s
total exchange = -52.2947265391 (a.u.)
total exchange computation time: 2.9762511253 s
-153.8406628941
Anderson extrapolation: theta=0.2207919420 (0.2207919420)
-931.37796279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.867 s
total exchange = -52.2947005866 (a.u.)
total exchange computation time: 2.9788269997 s
-153.8408564791
Anderson extrapolation: theta=1.8714366356 (1.8714366356)
-931.37796383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.864 s
total exchange = -52.2946626581 (a.u.)
total exchange computation time: 2.9765510559 s
-153.8410850114
Anderson extrapolation: theta=0.2875226857 (0.2875226857)
-931.37796509
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.861 s
total exchange = -52.2946630181 (a.u.)
total exchange computation time: 2.9777441025 s
-153.8410222629
Anderson extrapolation: theta=1.3098400550 (1.3098400550)
-931.37796540
71.917162 157.117589 -250.274922
548.780328 1079.113987 -415.757910
620.697490 1236.231576 -666.032832
1535.295937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0623546512
ExchangeOperator: pair fraction: ispin=0: 0.1576419686
ExchangeOperator: bisection time: 3.867 s
total exchange = -52.2946715096 (a.u.)
total exchange computation time: 2.9785609245 s
677.63205469
-1081.29861750
89.94624002
-390.74847026
-174.61450108
76.91212542
551.60419304
0.00000000
-931.37796563
3.90467278 -31.57610055 -3.82302967
-0.00033797 0.00034785 0.00002831
-0.00400594 0.01220473 0.01244108
-11.12351803 2.25733698 -9.32260447
-0.00009384 -0.00003540 -0.00007101
0.01702088 0.02939449 -0.00010212
-37.13041027 1.85683869 3.83407536
-0.00004118 0.00012536 0.00023125
-0.01588348 -0.02070076 -0.00724693
-7.75077629 -3.54711284 3.10562337
-0.00005275 -0.00008659 0.00002784
0.00965767 -0.00267088 -0.01708320
2.14121563 -0.19495241 9.68182391
0.00024344 0.00013158 0.00014980
-0.02172529 0.04759663 -0.01384112
-31.17385764 1.43553616 3.50712385
-0.00006676 -0.00018273 0.00010660
-0.03872789 0.03776598 -0.02034665
16.41575138 13.37306748 -17.76315969
0.00003673 -0.00005921 0.00016367
-0.03108493 -0.02788881 -0.01173370
-3.21003334 4.99225708 4.54882242
0.00004993 -0.00005265 -0.00048592
-0.01674088 -0.00969239 -0.04127970
4.86695675 17.34824785 -6.45276378
-0.00023037 0.00008852 0.00008328
0.04151900 0.02515961 -0.02574222
8.19511755 6.94024043 -21.05803940
0.00032067 0.00054591 -0.00020897
0.01706591 0.01478070 0.01273455
19.40396472 18.84510625 -5.39017303
0.00058989 0.00007846 0.00001487
0.02520502 0.05042114 0.01257363
2.10276120 14.76104500 -21.51091469
-0.00012627 -0.00008523 0.00012351
0.00432723 -0.02416942 0.01487100
10.48835058 -5.50196670 0.22000764
-0.00007619 -0.00013067 -0.00030649
-0.01290972 -0.00541853 -0.01407547
-16.62631350 -5.48377336 4.96174755
0.00016404 -0.00008550 -0.00013297
-0.02556917 -0.01072693 -0.01144333
-14.29568691 -1.54713840 20.72608448
0.00010908 -0.00006723 0.00009493
-0.01760729 0.04766316 -0.01734992
1.07343773 3.60116020 -4.68052620
-0.00026726 0.00018105 -0.00012728
0.03020571 0.02097584 -0.02547032
21.03785927 -9.67267744 -3.98544891
-0.00020758 0.00012465 -0.00005972
-0.04596233 -0.00190722 0.01893441
2.85983354 -10.80715589 6.86762201
-0.00016473 0.00002234 -0.00015520
0.02950401 -0.01368473 -0.02164790
-1.70924352 -1.60707163 -19.63649016
0.00006056 -0.00006108 0.00037755
-0.02893155 -0.03984137 -0.00152034
-0.67784268 4.92102612 -11.25971889
-0.00005058 0.00029098 -0.00015549
-0.00591157 -0.02223711 0.04883214
-4.91789946 15.47606588 13.44724722
-0.00003585 0.00003446 -0.00010673
0.01742468 0.00197095 0.03573417
-4.96534904 3.02970126 -7.57180523
0.00010879 0.00004785 -0.00056025
-0.02196817 -0.01007858 -0.00751916
-8.69873677 0.21630078 -4.58439457
0.00006695 -0.00012493 0.00018181
-0.01874604 -0.00564005 0.02540453
2.90228085 27.90697149 5.76846189
0.00010234 -0.00018053 -0.00001080
0.00201521 0.01606709 0.00889788
8.73614217 -9.80400033 -2.07337138
-0.00005869 0.00047623 -0.00005084
0.05153587 0.01495102 0.01627901
-6.53843247 1.29675958 9.67677604
0.00023080 -0.00004027 0.00032789
0.03644320 0.00234576 -0.00389427
19.72116481 9.72090868 6.28355602
0.00005668 -0.00028711 -0.00040073
0.05295495 0.02040737 -0.00714198
-3.36130726 0.71287947 -24.28054736
0.00008282 -0.00017564 0.00001877
-0.04308230 0.01302366 -0.02320790
-13.58141953 8.42177392 9.51039998
-0.00006876 0.00008235 0.00001105
-0.00280806 0.00026127 -0.01939513
-13.89958800 5.81159299 -3.93998458
0.00000286 -0.00024500 -0.00003196
0.00115472 0.05033125 0.01220384
-3.78658896 -15.17583505 21.10931559
-0.00010814 0.00014167 0.00007717
0.01214848 -0.00410075 -0.01204614
-6.11855952 8.43589475 -6.82312654
-0.00030995 0.00027457 0.00041035
0.00225636 -0.03139495 0.00353402
-19.77220926 30.18896514 1.12430438
0.00002943 0.00008601 0.00021810
-0.04006542 -0.00089217 -0.00589926
10.41166187 3.55128725 8.16506888
-0.00022741 0.00010166 -0.00000022
-0.00778991 -0.07059788 -0.04187065
7.48865212 16.49406119 -11.68302553
-0.00008390 -0.00004351 -0.00008083
0.00198272 0.00635153 -0.00640394
13.96729512 4.61378495 -0.90394956
0.00020388 -0.00004638 0.00015366
-0.01822514 0.03200146 -0.00871359
-5.49694520 11.97844511 -1.32896820
-0.00018588 -0.00023510 -0.00000756
0.02359289 -0.03471367 -0.00541673
8.13908665 11.95715326 5.00604252
0.00027930 -0.00050802 -0.00014059
-0.00282330 -0.00525216 0.00005076
19.82809997 -11.24107413 -10.29868380
0.00001938 0.00013530 -0.00030459
-0.01601318 0.04520223 0.00421562
19.03015537 -5.96575599 -0.31596032
0.00034852 0.00018469 0.00004824
0.00009479 -0.00638008 0.00579850
16.05464290 7.73475029 9.57571624
-0.00013939 -0.00019298 0.00004240
-0.00469368 0.00888926 0.02047015
3.96750142 -14.44055108 16.56319491
-0.00031402 -0.00029119 0.00023311
0.00676414 -0.01479129 -0.02044321
-3.32220803 -2.38649272 -13.67444247
-0.00061149 -0.00031372 -0.00030467
-0.00730017 -0.00963007 -0.00535073
16.04980920 -6.88718207 -13.46011792
0.00026414 0.00060366 0.00031419
0.00532639 -0.00113359 0.00760816
10.67722491 -4.29271851 6.22821288
-0.00004305 -0.00012469 0.00040139
-0.06485900 0.00793110 0.02040522
-19.56116809 0.85644607 24.88532855
0.00005177 -0.00007790 0.00033888
0.02331093 0.03184888 0.01555473
24.05552215 -0.78915682 -7.58674306
0.00011432 -0.00003818 0.00017972
-0.00945369 0.02228284 -0.01911370
11.50788853 -9.83696035 -11.24848496
-0.00021298 0.00008867 -0.00003142
-0.00474696 -0.00581543 -0.00405102
-9.67819891 -9.91311048 16.40814304
-0.00020145 -0.00010093 0.00041915
0.02798274 0.01114909 -0.00179528
7.35247877 0.41309323 -28.51202143
-0.00005350 -0.00029747 -0.00019855
0.02898308 -0.00608947 0.00456523
12.61695700 17.74219200 12.21677614
-0.00021476 -0.00014598 0.00007319
0.00923946 0.02932504 0.00036859
25.92427395 7.31922524 -11.02557413
-0.00001698 0.00009441 -0.00017477
0.01897213 0.01102879 -0.01268064
3.97935061 -29.98170023 -4.74289587
-0.00143792 -0.00005087 0.00015399
0.00710967 0.00247917 -0.00966698
3.46235004 -30.84180643 -2.13635428
0.00006844 0.00017135 -0.00029754
-0.00010673 -0.00989774 -0.00544926
-9.96990017 3.54075576 -8.51952336
0.00075278 -0.00001582 -0.00044055
-0.02314138 -0.02715857 -0.01650804
-11.40825719 2.82426256 -11.14923302
0.00028372 -0.00045186 0.00039740
-0.00091177 -0.00684385 0.01941410
-37.41546752 3.58783413 3.29925838
0.00100607 -0.00068970 -0.00014035
-0.00168863 -0.00222094 -0.00382560
-38.80258964 0.87891989 3.38437242
-0.00065796 0.00077531 0.00009585
0.03008492 0.02709047 0.01229335
-8.71960894 -3.82326505 1.55531674
0.00029993 0.00030474 -0.00022744
-0.00727014 -0.00594012 0.00765698
-6.37232918 -4.71157647 2.83213418
-0.00012751 0.00017782 -0.00088582
0.00230511 -0.00067203 0.00426999
3.49127971 -1.16548845 9.11630051
-0.00075250 0.00048972 0.00014445
0.03175736 -0.02598623 -0.01224130
2.33334145 1.40551396 8.69388125
-0.00029347 -0.00052966 -0.00108354
-0.00976360 -0.02075459 0.01764482
-30.88736510 -0.31253565 3.54354500
-0.00054351 0.00025363 0.00033705
0.01897987 -0.03910947 0.00561244
-32.98930358 1.45263023 2.98562107
-0.00021556 0.00024621 -0.00016480
0.02031385 0.00631399 0.01235795
14.96353682 12.00697310 -18.06316346
0.00012267 -0.00138218 -0.00118722
0.04311430 0.03006751 0.00705475
17.87441304 12.41269078 -17.14817585
0.00038142 -0.00004059 0.00006921
-0.00665525 -0.00966069 -0.00585478
-2.92963267 6.64220427 5.26246146
-0.00035375 0.00001162 0.00048927
0.00609973 0.01188554 0.00338416
-3.52695916 5.39824987 2.71948340
-0.00111881 0.00027837 -0.00056901
0.01052378 -0.00753883 0.03178157
5.44272473 16.59069114 -8.08301995
0.00135602 -0.00013453 -0.00068931
-0.00578300 0.01037863 0.01472608
6.14832507 18.82746756 -6.32720156
-0.00024096 0.00012433 0.00016838
-0.02902431 -0.03536397 0.00321391
8.40603460 6.67530081 -22.86654831
0.00031905 -0.00026014 -0.00026079
-0.00019629 -0.00746245 -0.00341867
9.84189617 7.57327675 -20.35849564
-0.00058175 -0.00032010 0.00125002
-0.02409232 -0.00847282 -0.00693248
19.26882524 20.18886375 -3.97102251
0.00061712 -0.00068871 0.00040522
-0.00524208 -0.02573801 -0.02748263
20.59054344 19.83383922 -6.52226557
0.00010739 -0.00071426 -0.00029702
-0.01704849 -0.02305651 0.01639831
1.75794599 13.15929766 -20.67819331
0.00041108 -0.00038397 -0.00064362
0.01715554 -0.00223393 0.00400497
0.34445885 15.13112058 -21.72643777
0.00025873 0.00030833 -0.00011083
-0.02301230 0.02582930 -0.01571273
9.82715725 -7.03305022 -0.64519177
0.00004458 0.00033731 0.00064997
0.00896255 0.01224210 0.00895504
9.38769997 -4.16711466 -0.49191731
-0.00003426 -0.00077037 0.00033552
0.00762405 -0.00372076 0.00609898
-17.19187464 -6.18726544 6.56768336
0.00060925 -0.00071818 -0.00003664
0.00423056 0.00281222 -0.00468611
-18.00851849 -5.92037117 3.74298171
-0.00048962 0.00113007 -0.00062283
0.02156923 0.00777199 0.01509255
-14.56953855 -0.53045555 19.07937774
0.00058610 -0.00054468 -0.00086559
0.00708493 -0.02428658 0.03269709
-14.92573294 -0.40262862 22.08379890
-0.00018738 0.00019507 -0.00010802
0.00990553 -0.01709619 -0.01798239
-0.21164033 3.35464845 -3.49309424
-0.00006430 -0.00103830 -0.00004644
-0.02390740 -0.01420756 0.01699072
1.08570349 2.27520778 -5.94824019
-0.00078116 -0.00010991 -0.00044590
-0.00475662 -0.00854927 0.01017139
20.46254732 -9.11283431 -5.56874624
0.00041032 0.00012314 -0.00009316
-0.02330293 0.00758642 -0.02471193
22.70328776 -9.90081851 -4.39760864
0.00022390 0.00110335 -0.00104945
0.06381488 -0.01020383 -0.00089618
4.53650807 -11.29199159 5.97894028
0.00112002 -0.00036632 0.00003799
-0.03934500 0.01324729 0.03105741
2.69755242 -11.73330436 8.45899919
-0.00101920 -0.00018532 0.00045920
0.01158124 0.00546208 -0.00733194
-2.49649611 -3.27823070 -20.19721396
-0.00145928 -0.00049513 -0.00025696
0.02044568 0.02776556 -0.00032789
-2.44131799 -1.43747824 -17.95930650
-0.00037145 -0.00029245 -0.00031271
0.00243848 0.00607930 -0.00189854
1.08176128 5.47361476 -11.06562777
0.00108023 0.00031785 0.00051633
-0.00571611 -0.00014761 -0.00297502
-1.05909468 4.04422963 -9.56726503
0.00137436 0.00047154 -0.00012850
0.00372089 0.02345025 -0.04416616
-3.84241829 16.15144813 14.87554893
0.00054450 0.00052094 0.00069324
-0.02502804 -0.00256729 -0.02562068
-6.64068901 15.57629126 14.07753820
-0.00027003 0.00050211 -0.00061726
0.00632392 0.00320005 0.00118372
-5.84581841 1.81321012 -6.46795995
0.00033934 0.00044385 0.00039098
0.00938852 0.00728551 -0.00943841
-5.66758602 2.60011996 -9.27752005
-0.00052766 -0.00047417 -0.00036116
0.01260047 0.00097229 0.01321488
-9.69802526 -1.20227596 -3.89652244
0.00034613 -0.00007369 -0.00043154
0.01398130 0.00959691 -0.01204833
-9.36049155 1.59998408 -3.55189881
0.00013382 -0.00180755 0.00016409
0.00590913 -0.00016549 -0.00642705
2.28024771 29.15157273 4.56526015
0.00012080 0.00126051 -0.00060114
-0.00210904 -0.01267136 -0.00784697
2.96815267 28.95633587 7.27672258
-0.00058729 -0.00066207 -0.00018290
-0.00144731 -0.01547036 -0.00184173
7.33666676 -10.00802032 -3.09524137
0.00022386 -0.00108464 -0.00055957
-0.04730252 -0.00427753 -0.02187920
8.69715107 -10.99351615 -0.73773136
0.00019458 0.00020204 -0.00016189
-0.00551181 -0.01558556 0.01179130
-5.19321744 -0.07651375 9.25925309
0.00052230 0.00007851 0.00067601
-0.03237521 0.01274518 0.00889445
-8.19504432 0.73737404 10.10100949
0.00039760 0.00118889 -0.00002174
-0.00321357 -0.01583287 -0.00125938
19.48013637 9.32002562 8.08362933
-0.00046739 -0.00014352 -0.00004088
0.00414457 0.00777566 -0.01218607
21.58909019 10.32843387 5.96930956
-0.00063429 0.00012238 -0.00046321
-0.05069147 -0.01897659 0.01945437
-2.81094291 0.15798818 -22.68183674
-0.00052661 0.00084328 -0.00099370
0.01099837 -0.00862046 0.03399782
-5.24192416 0.92560196 -24.09251970
-0.00108587 -0.00029609 0.00006617
0.03572530 -0.00686610 -0.00817852
-12.47790472 9.38190052 10.63504153
-0.00045089 -0.00005303 0.00047744
-0.00344437 0.00430113 -0.00966162
-13.54661522 9.39876715 7.90574690
0.00038845 0.00006595 -0.00004655
0.00036262 -0.00416139 0.01935740
-13.88136458 4.24498475 -4.70709082
0.00057847 0.00051308 0.00019405
0.00005506 -0.04255773 -0.01675982
-15.28796425 6.75435178 -4.77105248
0.00089541 0.00128137 -0.00055746
0.00206658 -0.00909474 0.00759413
-5.33480498 -16.16205334 21.15712914
0.00055131 -0.00002154 0.00059396
-0.01170488 -0.00173905 0.00434135
-3.18462090 -15.65359034 19.44085550
0.00008966 0.00027485 0.00048809
0.00435196 0.00641638 0.00659542
-6.30009535 6.64791438 -6.27752244
-0.00090457 -0.00021709 -0.00018787
0.00873505 0.01914242 -0.01179633
-6.94402980 9.40915252 -5.53198756
-0.00048324 -0.00021256 0.00091807
-0.00721540 0.00992351 -0.00093781
-20.48008733 30.98719753 -0.37135390
-0.00034095 0.00044149 0.00026511
0.00803347 -0.00563675 0.00976122
-18.10604932 30.71917230 1.37653287
-0.00048855 0.00033872 -0.00044294
0.03486156 0.00730904 -0.00550019
9.26858638 2.69091599 6.80258107
0.00005091 0.00050392 -0.00011943
0.02463499 0.02154741 0.03256254
9.85627215 5.18744188 8.39620392
0.00082873 0.00014082 0.00011383
-0.02408139 0.05403128 0.00432228
8.58051279 17.42978518 -12.86093260
0.00059438 0.00114099 0.00059305
-0.00724296 0.00134878 0.00035725
8.74860167 15.30003311 -11.14095719
-0.00007116 0.00025111 -0.00037046
0.00001075 -0.00928979 0.00739252
12.93307328 6.06690845 -0.18894727
-0.00096529 -0.00039857 0.00106047
0.02445783 -0.03747104 -0.00644828
14.22778872 3.35267566 0.37805737
0.00061352 -0.00023489 0.00088726
-0.00982931 -0.00129524 0.02086455
-4.07323628 11.19420709 -2.30622792
-0.00154337 0.00097470 -0.00056109
-0.01527805 0.02442276 0.00077540
-5.52637385 10.54786581 -0.16227380
0.00020728 -0.00050575 -0.00008563
-0.01393363 0.00988711 0.00527622
7.99457110 13.77557305 4.75376345
0.00005937 -0.00209832 0.00000234
0.00032821 -0.00375500 0.00191226
9.78912541 11.38223785 4.43604393
0.00044201 0.00029531 0.00025724
-0.00199339 0.00305418 -0.00096733
18.40514677 -11.83480781 -9.35691923
0.00075793 0.00051636 -0.00019323
-0.01133196 0.00482400 0.01365594
20.61946633 -12.75133156 -10.59216044
-0.00053334 0.00027328 -0.00021978
0.03492993 -0.05274859 -0.00991014
19.13309842 -5.59092788 -2.11859710
-0.00094091 0.00083734 0.00091855
0.00167849 -0.00172452 0.00709624
18.17634694 -7.66936358 -0.21617999
-0.00017448 0.00012061 -0.00016895
0.00247585 0.01568567 -0.00657413
15.38328837 9.45874940 9.50324298
-0.00026635 0.00012258 -0.00055894
0.00171589 -0.01545973 0.00132239
16.26964157 7.37578124 11.39637312
0.00070474 0.00011743 -0.00004283
-0.00391769 0.00598869 -0.01847212
2.63810990 -15.73429432 16.82704470
0.00011648 -0.00105432 0.00033850
0.00167597 0.00902494 0.00816170
3.60119671 -12.75511854 17.08413796
0.00083789 0.00052374 -0.00009971
-0.01114601 0.00968971 0.00860481
-4.07677840 -4.11855095 -13.45011644
0.00030507 -0.00020095 -0.00025025
0.00917947 0.01448416 -0.00193336
-1.55374469 -2.31354440 -13.22873467
-0.00021895 0.00013518 -0.00033112
-0.00353550 -0.00395302 0.00338148
16.09519831 -7.74015200 -15.15984064
0.00009125 0.00031405 0.00042480
0.00011260 0.00561793 0.00357772
17.06914247 -7.84127057 -12.24790425
0.00037861 -0.00021516 0.00041560
-0.00510492 0.00664779 -0.00731552
9.46395697 -4.65310816 4.86393472
0.00043322 0.00000172 -0.00034384
0.02003486 0.00346440 0.00934276
12.31435031 -4.74659007 5.80056974
-0.00061207 -0.00039707 -0.00014916
0.03391772 -0.00764345 -0.02233153
-20.93261878 -0.29298108 24.76767396
-0.00054866 0.00034169 -0.00089504
-0.02038988 -0.01360027 0.00165635
-19.97833525 2.21225279 26.10647792
0.00032588 0.00036831 -0.00083901
-0.00239747 -0.01295979 -0.01679674
24.97812269 -2.36205052 -7.41379859
-0.00090970 -0.00026337 0.00037276
0.00185048 -0.00520159 0.00233940
24.17937954 -0.23801626 -9.41148377
-0.00017186 -0.00004380 0.00028727
-0.00137133 -0.01458360 0.02039406
12.53932248 -9.90502101 -9.76991019
0.00076640 -0.00093229 0.00003019
0.00467741 0.00431436 0.01543834
12.27185339 -8.54332592 -12.27580879
0.00065225 0.00059772 0.00024124
0.00471930 0.00407841 -0.00503984
-9.44641312 -9.21090541 18.07505295
0.00034576 0.00043726 0.00063926
0.00525006 0.00292417 -0.00037572
-11.26030980 -10.67514118 16.59948237
-0.00019523 0.00132070 -0.00055867
-0.02830553 -0.01398287 0.00226849
8.63911861 1.21726333 -29.65942282
0.00001500 -0.00159761 -0.00084570
-0.00965720 -0.00656514 0.00289516
5.72701016 1.11273648 -28.74626722
0.00015404 -0.00042424 0.00007113
-0.01949365 0.00829566 -0.00833283
12.48275938 19.58084107 12.46416102
0.00031157 0.00084610 -0.00024606
-0.00600819 -0.01824042 0.00385175
14.22604329 17.65970714 11.32836911
0.00032504 -0.00016441 -0.00067191
-0.00486182 -0.00765476 -0.00225477
27.58792936 7.55674472 -11.92959030
-0.00017314 0.00026490 0.00003686
-0.01248174 -0.00090308 0.02430029
26.11186377 7.91302134 -9.27396543
-0.00041471 -0.00089293 -0.00015357
0.00400483 -0.00487760 -0.00652414
-7.31577461 4.60176248 6.69990058
0.00028915 0.00002774 0.00002710
0.00142363 -0.00630026 -0.00538117
-9.09892598 8.77370097 3.85206731
0.00023948 -0.00003478 0.00005313
-0.00119561 0.00048933 -0.00470893
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07671043
0.30125520
401.40745218
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.501 s
total exchange = -52.2950012851 (a.u.)
total exchange computation time: 3.0134890079 s
-153.8456584417
-931.37123389
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.501 s
total exchange = -52.2952331193 (a.u.)
total exchange computation time: 3.0106458664 s
-153.8450111643
Anderson extrapolation: theta=1.3453460408 (1.3453460408)
-931.37149091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.502 s
total exchange = -52.2955071883 (a.u.)
total exchange computation time: 3.0126111507 s
-153.8445137868
Anderson extrapolation: theta=0.0531170869 (0.0531170869)
-931.37164491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.501 s
total exchange = -52.2954858188 (a.u.)
total exchange computation time: 3.0121600628 s
-153.8448751937
Anderson extrapolation: theta=1.9729366758 (1.9729366758)
-931.37165088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.506 s
total exchange = -52.2954290682 (a.u.)
total exchange computation time: 3.0114228725 s
-153.8456882536
Anderson extrapolation: theta=0.2317490616 (0.2317490616)
-931.37165723
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.509 s
total exchange = -52.2954125986 (a.u.)
total exchange computation time: 3.0128891468 s
-153.8458755212
Anderson extrapolation: theta=1.8514439315 (1.8514439315)
-931.37165841
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.500 s
total exchange = -52.2953950825 (a.u.)
total exchange computation time: 3.0112080574 s
-153.8460772307
Anderson extrapolation: theta=0.2829575260 (0.2829575260)
-931.37165971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.499 s
total exchange = -52.2954028400 (a.u.)
total exchange computation time: 3.0136699677 s
-153.8459983823
Anderson extrapolation: theta=1.2857982980 (1.2857982980)
-931.37165997
71.948314 157.091099 -250.311578
548.752725 1079.119684 -415.789637
620.701039 1236.210783 -666.101214
1535.310297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.501 s
total exchange = -52.2954210829 (a.u.)
total exchange computation time: 3.0108251572 s
677.65577499
-1081.34044437
89.94357509
-390.71792631
-174.61721840
76.93490038
551.60419304
0.00000000
-931.37166009
3.89958775 -31.57083574 -3.82255704
-0.00033993 0.00035322 0.00003441
-0.00360846 0.00866613 0.01129565
-11.12485999 2.25691930 -9.32367003
-0.00008455 -0.00002027 -0.00007030
0.01911059 0.02947636 0.00288137
-37.13108918 1.85863929 3.83751620
-0.00004925 0.00011330 0.00022789
-0.01551308 -0.02619334 -0.00582804
-7.75153023 -3.54842201 3.10597512
-0.00004788 -0.00008792 0.00001893
0.00928115 -0.00250141 -0.01756773
2.14478342 -0.19279513 9.68401752
0.00023056 0.00015727 0.00014326
-0.02835537 0.05229969 -0.01159116
-31.17500844 1.43294086 3.50864438
-0.00008705 -0.00016230 0.00009602
-0.04015219 0.04170365 -0.02079959
16.41618249 13.37207176 -17.76074995
0.00002067 -0.00007430 0.00015755
-0.03137450 -0.03078983 -0.01206655
-3.20934897 4.99142992 4.54137437
0.00004123 -0.00005699 -0.00050710
-0.01709942 -0.00717661 -0.04106382
4.86366143 17.34967271 -6.45161386
-0.00020839 0.00010067 0.00006847
0.04393911 0.02208053 -0.03184578
8.19999344 6.94848610 -21.06112477
0.00032847 0.00055307 -0.00020279
0.01324704 0.01307616 0.01128964
19.41291031 18.84647757 -5.38990144
0.00060223 0.00010343 0.00002153
0.02278040 0.04669421 0.01333293
2.10088379 14.75967329 -21.50900474
-0.00012349 -0.00009738 0.00013095
0.00650729 -0.02308858 0.01408432
10.48715796 -5.50394766 0.21535601
-0.00008164 -0.00013317 -0.00031257
-0.00827907 -0.00429442 -0.00958522
-16.62395154 -5.48509723 4.95970888
0.00015043 -0.00009112 -0.00013909
-0.02736884 -0.01114307 -0.01234453
-14.29411859 -1.54796296 20.72744148
0.00010006 -0.00004261 0.00008559
-0.01747773 0.04807437 -0.01896537
1.06954531 3.60395689 -4.68253368
-0.00025217 0.00019102 -0.00014071
0.02846774 0.01780170 -0.02673794
21.03456825 -9.67081499 -3.98627175
-0.00022932 0.00012336 -0.00005035
-0.03855536 -0.00312577 0.01750634
2.85747646 -10.80687360 6.86521057
-0.00014869 0.00001447 -0.00016575
0.03285585 -0.01691410 -0.01938913
-1.70844668 -1.60814148 -19.63083276
0.00004526 -0.00008284 0.00037547
-0.03056963 -0.04478678 -0.00656660
-0.67862413 4.92530508 -11.26186284
-0.00005137 0.00028035 -0.00013037
0.00281964 -0.01911662 0.04884272
-4.91836997 15.47659042 13.44578417
-0.00002612 0.00003596 -0.00008734
0.02041467 0.00386874 0.03964558
-4.96380200 3.03038018 -7.58023791
0.00009723 0.00004247 -0.00056395
-0.02295605 -0.01086666 -0.00688532
-8.69780490 0.21440513 -4.58156939
0.00005846 -0.00012912 0.00019342
-0.01426358 -0.01065562 0.01972170
2.90382371 27.90432558 5.76833423
0.00010251 -0.00017111 -0.00000854
-0.00133793 0.02055192 -0.00010437
8.73546068 -9.79679921 -2.07407126
-0.00003323 0.00048361 -0.00004281
0.04746576 0.01375774 0.01496363
-6.53482984 1.29616465 9.68167932
0.00025075 -0.00003839 0.00032567
0.04113318 0.00494044 -0.00473946
19.72221927 9.71668080 6.27751749
0.00008304 -0.00027689 -0.00040370
0.04956667 0.01932268 -0.00441018
-3.36023107 0.71029512 -24.28035539
0.00005810 -0.00016785 0.00000418
-0.05305819 0.01724953 -0.03349912
-13.58246176 8.42301011 9.51049088
-0.00007019 0.00008245 0.00000109
-0.00276601 0.00014554 -0.01931520
-13.89954067 5.80811210 -3.94041689
0.00000318 -0.00021706 -0.00002491
0.00010509 0.05832147 0.01519124
-3.78816425 -15.17372588 21.11042675
-0.00010145 0.00014016 0.00007166
0.01388216 -0.00174357 -0.00941128
-6.12320003 8.43989219 -6.81695766
-0.00030904 0.00025814 0.00041257
0.00129243 -0.03248272 0.00508359
-19.77192241 30.19025182 1.12755318
0.00000776 0.00008549 0.00021453
-0.04420343 -0.00111463 -0.00798736
10.40822067 3.55253977 8.16490402
-0.00023101 0.00006512 -0.00002158
-0.00620375 -0.07146085 -0.04119853
7.48740124 16.49343309 -11.68426275
-0.00008266 -0.00003936 -0.00008478
0.00285901 0.00976330 -0.00895400
13.97028303 4.61321265 -0.90167826
0.00019414 -0.00003044 0.00015077
-0.01963625 0.02997771 -0.00253776
-5.49964234 11.97478476 -1.32910253
-0.00017524 -0.00025214 -0.00000924
0.01778288 -0.03155002 -0.00110221
8.14326521 11.94951269 5.00393381
0.00027783 -0.00051344 -0.00014009
-0.00287068 -0.01582283 0.00192865
19.82832885 -11.23887032 -10.30323646
0.00001183 0.00015944 -0.00030299
-0.01334279 0.04869845 0.00201271
19.03538357 -5.96301025 -0.31521442
0.00034816 0.00018079 0.00005262
-0.00150594 -0.00878481 0.01125366
16.05253401 7.73188982 9.57643124
-0.00014193 -0.00018785 0.00005263
-0.00521719 0.01106388 0.01930492
3.96281717 -14.44497601 16.56661269
-0.00031047 -0.00029812 0.00022272
0.00704827 -0.01213723 -0.01995535
-3.33140847 -2.39123565 -13.67903308
-0.00061400 -0.00031795 -0.00030724
-0.00247785 -0.00683154 -0.00465579
16.05379189 -6.87813161 -13.45537578
0.00026739 0.00060233 0.00031855
0.00728451 -0.00401473 0.00936982
10.67632892 -4.29455833 6.23431243
-0.00007692 -0.00012060 0.00041150
-0.06685307 0.00800251 0.01891817
-19.56030161 0.85540040 24.89047170
0.00006359 -0.00006260 0.00034617
0.02265236 0.02765217 0.01279203
24.05720042 -0.78964356 -7.58412094
0.00010906 -0.00002625 0.00017008
-0.01096916 0.02409460 -0.01839907
11.50467545 -9.83565268 -11.24897195
-0.00021406 0.00008647 -0.00003298
0.00056265 -0.00275270 -0.00200768
-9.68111266 -9.91458139 16.41442338
-0.00018532 -0.00009416 0.00041881
0.03474335 0.01516471 0.00048653
7.35178811 0.40860768 -28.51498200
-0.00003815 -0.00030105 -0.00019601
0.03069300 -0.00783290 0.00528080
12.61377129 17.74011541 12.21787536
-0.00020881 -0.00012951 0.00007284
0.01388965 0.03473575 -0.00170292
25.92409246 7.32068393 -11.02824456
-0.00000767 0.00009984 -0.00018156
0.01723533 0.01007546 -0.01373145
3.95799971 -29.98238726 -4.74088218
-0.00140756 -0.00003540 0.00011071
0.00774980 0.00509241 -0.01152118
3.46337332 -30.83953944 -2.14098442
0.00006692 0.00013246 -0.00031436
-0.00063784 -0.00914181 -0.00278219
-9.95931760 3.53968622 -8.52663752
0.00065556 -0.00012905 -0.00050847
-0.02444839 -0.02826864 -0.01673567
-11.40402927 2.81727501 -11.14267713
0.00027845 -0.00047790 0.00047120
-0.00167200 -0.00590703 0.01671122
-37.40042815 3.57742058 3.29703588
0.00099711 -0.00068647 -0.00015936
-0.00270075 0.00380382 -0.00547994
-38.81153710 0.89137971 3.38618685
-0.00053385 0.00088467 0.00014612
0.03066706 0.02643840 0.01231589
-8.71533278 -3.81887601 1.55213979
0.00026904 0.00028118 -0.00019617
-0.00785069 -0.00559017 0.00764795
-6.37417115 -4.70892983 2.81897776
-0.00011642 0.00017388 -0.00086719
0.00312249 -0.00125282 0.00484668
3.48096538 -1.15893900 9.11809214
-0.00060926 0.00037264 0.00008900
0.03835834 -0.03132190 -0.01489931
2.32864026 1.39693306 8.67816884
-0.00033358 -0.00061328 -0.00101056
-0.00987080 -0.02017946 0.01807997
-30.89493615 -0.30992970 3.54877275
-0.00046505 0.00008641 0.00036031
0.01942641 -0.04274231 0.00577395
-32.99191455 1.45651689 2.98352779
-0.00013063 0.00027151 -0.00011363
0.02126208 0.00606881 0.01268973
14.96669803 11.98716177 -18.08075551
0.00030183 -0.00125466 -0.00115562
0.04458634 0.03235294 0.00841348
17.87993039 12.41178584 -17.14731713
0.00035153 -0.00007810 0.00004424
-0.00797423 -0.00870006 -0.00636893
-2.93475208 6.64274285 5.26990427
-0.00032955 0.00005473 0.00049893
0.00574657 0.00921631 0.00134306
-3.54341882 5.40219444 2.71192208
-0.00107401 0.00024790 -0.00043555
0.01140781 -0.00737962 0.03354789
5.46288784 16.58899115 -8.09290837
0.00132694 -0.00008682 -0.00061739
-0.00845379 0.01298012 0.02048233
6.14382123 18.82824881 -6.32457739
-0.00035945 -0.00001912 0.00018198
-0.02897567 -0.03485308 0.00344409
8.41081437 6.67116996 -22.87056495
0.00031990 -0.00028940 -0.00027184
0.00060954 -0.00685723 -0.00198967
9.83243161 7.56821558 -20.33995776
-0.00067381 -0.00035220 0.00122075
-0.02096971 -0.00723937 -0.00739584
19.27792145 20.17774444 -3.96578632
0.00059645 -0.00079092 0.00029308
-0.00487575 -0.02429561 -0.02741121
20.59163193 19.82241880 -6.52621842
0.00004141 -0.00080358 -0.00023236
-0.01524951 -0.02066698 0.01525650
1.76463789 13.15346970 -20.68772495
0.00047928 -0.00039439 -0.00062608
0.01622640 -0.00286671 0.00458391
0.34763462 15.13653698 -21.72858174
0.00016223 0.00041309 -0.00017432
-0.02422249 0.02545399 -0.01536582
9.82810064 -7.02761550 -0.63516783
0.00007746 0.00037815 0.00068114
0.00712886 0.00775302 0.00630410
9.38741977 -4.17878417 -0.48669766
-0.00000858 -0.00077824 0.00035682
0.00494231 -0.00013119 0.00432872
-17.18260629 -6.19795195 6.56699014
0.00062614 -0.00070563 -0.00005887
0.00404008 0.00333181 -0.00619684
-18.01520183 -5.90318201 3.73410180
-0.00039764 0.00116151 -0.00055616
0.02345466 0.00762193 0.01753911
-14.56053001 -0.53936997 19.06739577
0.00061451 -0.00064442 -0.00072772
0.00682362 -0.02453889 0.03479279
-14.92824003 -0.40022647 22.08162757
-0.00014675 0.00012514 -0.00018269
0.00998040 -0.01713573 -0.01857104
-0.21333738 3.33863857 -3.49327017
-0.00015970 -0.00109480 0.00002194
-0.02279450 -0.01344765 0.01647988
1.07384037 2.27329710 -5.95461704
-0.00079906 -0.00014002 -0.00040078
-0.00400621 -0.00618907 0.01191623
20.46798800 -9.11075476 -5.57090091
0.00031190 0.00015523 -0.00019606
-0.02487413 0.00812319 -0.02565588
22.70860178 -9.88458098 -4.41337791
0.00047226 0.00106293 -0.00104798
0.05775887 -0.00958059 0.00161799
4.55210272 -11.29708047 5.98046183
0.00095083 -0.00031022 0.00016884
-0.04347411 0.01421650 0.03299217
2.68261931 -11.73591679 8.46566255
-0.00097014 -0.00015860 0.00042060
0.01243496 0.00761556 -0.01156580
-2.51775876 -3.28480679 -20.20107842
-0.00136970 -0.00037276 -0.00025559
0.02340470 0.03213472 0.00100097
-2.44681498 -1.44167876 -17.96405536
-0.00036372 -0.00026637 -0.00031326
0.00134634 0.00669088 0.00163039
1.09778954 5.47837798 -11.05797405
0.00104312 0.00031402 0.00049978
-0.01244926 -0.00172786 -0.00512665
-1.03836520 4.05202125 -9.57054594
0.00138523 0.00056450 -0.00030517
0.00159947 0.02205706 -0.04231624
-3.83501768 16.15918363 14.88516241
0.00043523 0.00050654 0.00058083
-0.02846391 -0.00448174 -0.02940408
-6.64454561 15.58392091 14.06831561
-0.00024314 0.00051534 -0.00061190
0.00683848 0.00327793 0.00143701
-5.84044064 1.82009118 -6.46238449
0.00037867 0.00047505 0.00035016
0.00986263 0.00798491 -0.01054229
-5.67511478 2.59303719 -9.28253257
-0.00047509 -0.00046992 -0.00030601
0.01313328 0.00111070 0.01378408
-9.69240491 -1.20308722 -3.90336472
0.00040035 -0.00004052 -0.00047926
0.01255968 0.00663995 -0.01131386
-9.35830316 1.57286581 -3.54963437
0.00015154 -0.00179203 0.00014798
0.00276521 0.00776065 -0.00146230
2.28199501 29.17009203 4.55600264
0.00011860 0.00119551 -0.00062097
0.00103381 -0.01914289 -0.00186186
2.95929900 28.94593071 7.27392267
-0.00059277 -0.00072131 -0.00018442
-0.00123579 -0.01352760 0.00109559
7.33857515 -10.02442103 -3.10430541
0.00003777 -0.00110119 -0.00064487
-0.04379078 -0.00382166 -0.01987530
8.69990084 -10.99096312 -0.73979836
0.00017297 0.00013955 -0.00011508
-0.00506539 -0.01500268 0.01111997
-5.18637497 -0.07494556 9.26966581
0.00038854 0.00012935 0.00071164
-0.03310360 0.01214040 0.00854805
-8.18917881 0.75472228 10.10064478
0.00037528 0.00111989 -0.00002485
-0.00770933 -0.01794694 -0.00026377
19.47325255 9.31811108 8.08264265
-0.00044910 -0.00011049 -0.00009548
0.00480987 0.00839106 -0.01454060
21.57802251 10.32968803 5.96295756
-0.00083595 0.00004561 -0.00038397
-0.04802444 -0.01860037 0.01933608
-2.81850503 0.17037317 -22.69570038
-0.00047352 0.00080060 -0.00083213
0.01498913 -0.01226821 0.04509076
-5.25711747 0.92095015 -24.09177778
-0.00092769 -0.00032519 0.00003105
0.04170474 -0.00737495 -0.00901263
-12.48477355 9.38123684 10.64190701
-0.00046483 -0.00003530 0.00043752
-0.00337991 0.00438019 -0.00987949
-13.54077742 9.39962885 7.90564177
0.00038975 0.00004894 0.00003303
0.00027529 -0.00416348 0.01959948
-13.87268584 4.25137678 -4.70469364
0.00057805 0.00032745 0.00011819
-0.00026330 -0.04830906 -0.02037200
-15.27446974 6.77329358 -4.77918161
0.00090606 0.00123908 -0.00052512
0.00314426 -0.01160582 0.00823386
-5.32689394 -16.16242968 21.16617161
0.00049828 -0.00003166 0.00061107
-0.01425457 -0.00321676 0.00403255
-3.18314269 -15.64927105 19.44837888
0.00010881 0.00029967 0.00051012
0.00502265 0.00573383 0.00419103
-6.31339616 6.64524457 -6.28070196
-0.00086798 -0.00013509 -0.00023679
0.00917179 0.02099670 -0.01215288
-6.95149947 9.40626817 -5.51824519
-0.00051130 -0.00017368 0.00091176
-0.00652239 0.00911038 -0.00215081
-20.48495534 30.99364710 -0.36707807
-0.00030779 0.00041659 0.00030756
0.00819860 -0.00655128 0.01101719
-18.11230925 30.72447705 1.36972028
-0.00033798 0.00037087 -0.00046379
0.03883953 0.00842895 -0.00470787
9.27010495 2.69913500 6.80178737
0.00014940 0.00059094 0.00001199
0.02357569 0.02105153 0.03177237
9.86796524 5.19120980 8.39804388
0.00072945 0.00036412 0.00013164
-0.02452080 0.05527647 0.00439366
8.58920651 17.44694130 -12.85202590
0.00055992 0.00114215 0.00059882
-0.00962363 -0.00077996 0.00246557
8.74753459 15.30351505 -11.14628758
-0.00006824 0.00021003 -0.00033911
0.00141650 -0.01081770 0.00795377
12.91934341 6.05978168 -0.17323787
-0.00086098 -0.00055508 0.00103031
0.02660176 -0.03914415 -0.00831276
14.23669032 3.34911256 0.39200565
0.00057193 -0.00023304 0.00096376
-0.01053061 0.00220468 0.01658226
-4.09685504 11.20957603 -2.31462055
-0.00159423 0.00106741 -0.00056493
-0.00961673 0.02095561 -0.00265606
-5.52369169 10.54058258 -0.16339658
0.00015129 -0.00046399 -0.00006588
-0.01347341 0.01055387 0.00439152
7.99547165 13.74398316 4.75385721
0.00005823 -0.00208937 0.00000721
-0.00088370 0.00813621 0.00046833
9.79569452 11.38676108 4.43987290
0.00043648 0.00030566 0.00025246
-0.00071706 0.00201123 -0.00137391
18.41616852 -11.82691464 -9.35939922
0.00070275 0.00053372 -0.00013161
-0.01568183 0.00367780 0.01650603
20.61253659 -12.74884871 -10.59576081
-0.00038754 0.00005297 -0.00026170
0.03644008 -0.05509461 -0.01061141
19.11903620 -5.57842069 -2.10460140
-0.00093289 0.00083239 0.00093600
0.00224698 -0.00069711 0.00144671
18.17380558 -7.66707378 -0.21891569
-0.00016285 0.00018664 -0.00019525
0.00321783 0.01663902 -0.00629849
15.37934575 9.46011441 9.49489943
-0.00025756 0.00005484 -0.00055227
0.00258568 -0.01769964 0.00194393
16.28009268 7.37772627 11.39516466
0.00068822 0.00014220 -0.00011714
-0.00416884 0.00613654 -0.01790396
2.63990841 -15.74983258 16.83237227
0.00012357 -0.00101379 0.00037264
0.00179591 0.01081427 0.00855316
3.61342348 -12.74696550 17.08290592
0.00079150 0.00055500 -0.00006621
-0.01155911 0.00561305 0.00779631
-4.07192101 -4.12112138 -13.45392946
0.00033945 -0.00014677 -0.00025743
0.00765054 0.01204012 -0.00158027
-1.55713733 -2.31163788 -13.23359780
-0.00023911 0.00011884 -0.00031907
-0.00633216 -0.00404276 0.00251712
16.09657054 -7.73526907 -15.15335907
0.00009112 0.00033708 0.00043886
-0.00017493 0.00565677 0.00330548
17.07466517 -7.84429428 -12.24189442
0.00035374 -0.00018352 0.00038136
-0.00706850 0.00884012 -0.00944782
9.47106919 -4.65297627 4.85906335
0.00051421 0.00001657 -0.00030279
0.01961155 0.00380533 0.01075260
12.30620866 -4.75278028 5.79764804
-0.00046812 -0.00042920 -0.00024018
0.03654658 -0.00808404 -0.02222443
-20.94147349 -0.28827251 24.75429907
-0.00062801 0.00029018 -0.00088716
-0.01845116 -0.01161156 0.00220142
-19.97352046 2.21738027 26.09337812
0.00031323 0.00032018 -0.00090251
-0.00379607 -0.01060074 -0.01428931
24.96453388 -2.36616041 -7.40813557
-0.00089926 -0.00028825 0.00038202
0.00326003 -0.00698004 0.00219778
24.17675960 -0.23912016 -9.40654985
-0.00017675 -0.00010332 0.00036898
-0.00102193 -0.01454950 0.01960402
12.55096180 -9.91887313 -9.76898431
0.00077898 -0.00091448 0.00008432
0.00147960 0.00440395 0.01105948
12.28178179 -8.53423519 -12.27234469
0.00066748 0.00060811 0.00022550
0.00273470 0.00101097 -0.00266497
-9.44106589 -9.20425688 18.08463031
0.00036467 0.00044510 0.00063059
0.00400615 0.00091179 -0.00386634
-11.26410559 -10.65575916 16.59117189
-0.00032193 0.00125962 -0.00054713
-0.03371422 -0.01591586 0.00337742
8.63904767 1.19309798 -29.67201966
-0.00002461 -0.00162221 -0.00083355
-0.00972956 -0.00547754 0.00305168
5.72872345 1.10662711 -28.74545555
0.00007113 -0.00038851 0.00003610
-0.02109210 0.00919412 -0.00881686
12.48724888 19.59297358 12.46058815
0.00028774 0.00076018 -0.00023169
-0.00565707 -0.02381657 0.00318043
14.23076997 17.65700641 11.31822134
0.00029502 -0.00019527 -0.00067568
-0.00983342 -0.00745122 0.00040936
27.58494979 7.56069052 -11.92829281
-0.00022153 0.00026125 0.00013440
-0.01120409 -0.00088456 0.02344701
26.10576588 7.89947794 -9.27646888
-0.00039742 -0.00091074 -0.00017573
0.00445855 -0.00384224 -0.00432293
-7.31143360 4.60216169 6.70029260
0.00028965 0.00002545 0.00002517
0.00138693 -0.00648968 -0.00536683
-9.09533590 8.77318019 3.85285614
0.00023921 -0.00003466 0.00005205
-0.00107048 0.00049896 -0.00460986
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07654320
0.29511689
393.22845890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.231 s
total exchange = -52.2976038495 (a.u.)
total exchange computation time: 3.0136790276 s
-153.8555423618
-931.36691328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.232 s
total exchange = -52.2977486614 (a.u.)
total exchange computation time: 3.0110850334 s
-153.8554943645
Anderson extrapolation: theta=1.3405944540 (1.3405944540)
-931.36718271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.233 s
total exchange = -52.2978974241 (a.u.)
total exchange computation time: 3.0122461319 s
-153.8558072197
Anderson extrapolation: theta=0.0506896322 (0.0506896322)
-931.36734326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.239 s
total exchange = -52.2978625725 (a.u.)
total exchange computation time: 3.0119588375 s
-153.8562205565
Anderson extrapolation: theta=1.9060250508 (1.9060250508)
-931.36734928
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.233 s
total exchange = -52.2977774783 (a.u.)
total exchange computation time: 3.0117359161 s
-153.8571226560
Anderson extrapolation: theta=0.2247454076 (0.2247454076)
-931.36735569
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.230 s
total exchange = -52.2977518357 (a.u.)
total exchange computation time: 3.0123450756 s
-153.8573367334
Anderson extrapolation: theta=1.8913375171 (1.8913375171)
-931.36735696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.232 s
total exchange = -52.2977156827 (a.u.)
total exchange computation time: 3.0145599842 s
-153.8575982672
Anderson extrapolation: theta=0.2901752746 (0.2901752746)
-931.36735860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.234 s
total exchange = -52.2977182510 (a.u.)
total exchange computation time: 3.0113730431 s
-153.8575345640
Anderson extrapolation: theta=1.2939822440 (1.2939822440)
-931.36735899
71.981920 157.062878 -250.336750
548.725271 1079.122459 -415.818996
620.707191 1236.185337 -666.155746
1535.315955
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0624273256
ExchangeOperator: pair fraction: ispin=0: 0.1578150352
ExchangeOperator: bisection time: 3.230 s
total exchange = -52.2977312646 (a.u.)
total exchange computation time: 3.0113439560 s
677.69886690
-1081.42484925
89.93907894
-390.65919983
-174.62352477
76.98120396
551.60419304
0.00000000
-931.36735928
3.89447488 -31.56550408 -3.82199725
-0.00034165 0.00035679 0.00003981
-0.00306566 0.00522474 0.00969855
-11.12605451 2.25672902 -9.32471336
-0.00007433 -0.00000529 -0.00006805
0.02064281 0.02877782 0.00585938
-37.13188777 1.86023782 3.84091209
-0.00005704 0.00009853 0.00022529
-0.01478554 -0.03126276 -0.00428583
-7.75221257 -3.54975047 3.10619134
-0.00004318 -0.00008917 0.00000980
0.00897752 -0.00236089 -0.01794114
2.14813245 -0.19023437 9.68612170
0.00021468 0.00018491 0.00013782
-0.03339465 0.05517268 -0.00955492
-31.17646900 1.43066728 3.51000445
-0.00010779 -0.00014031 0.00008527
-0.04049830 0.04378686 -0.02100006
16.41637155 13.37083850 -17.75843329
0.00000462 -0.00009075 0.00015128
-0.03103775 -0.03316911 -0.01231865
-3.20879651 4.99054741 4.53360953
0.00003240 -0.00005998 -0.00052788
-0.01724663 -0.00446126 -0.03975966
4.86070508 17.35126791 -6.45070963
-0.00018538 0.00011116 0.00005075
0.04552024 0.01870891 -0.03707627
8.20497153 6.95683266 -21.06412304
0.00033419 0.00055933 -0.00019748
0.00899734 0.01124667 0.00934998
19.42203164 18.84820912 -5.38952699
0.00061320 0.00012625 0.00002858
0.01987674 0.04203198 0.01405583
2.09905657 14.75812346 -21.50698613
-0.00011982 -0.00010890 0.00013794
0.00776908 -0.02167977 0.01310518
10.48590147 -5.50596175 0.21063042
-0.00008458 -0.00013500 -0.00031626
-0.00317584 -0.00281560 -0.00476646
-16.62180072 -5.48650707 4.95757497
0.00013605 -0.00009689 -0.00014558
-0.02852634 -0.01127277 -0.01292685
-14.29268511 -1.54841664 20.72865216
0.00009120 -0.00001802 0.00007547
-0.01696430 0.04756039 -0.02038699
1.06587252 3.60689092 -4.68474743
-0.00023826 0.00019932 -0.00015450
0.02563587 0.01444461 -0.02688029
21.03097979 -9.66897665 -3.98695953
-0.00024680 0.00012150 -0.00004213
-0.02945229 -0.00409913 0.01446189
2.85537284 -10.80672180 6.86264955
-0.00013118 0.00000508 -0.00017507
0.03522278 -0.01961541 -0.01685900
-1.70788567 -1.60955686 -19.62522602
0.00002924 -0.00010688 0.00037085
-0.03174740 -0.04868410 -0.01139243
-0.67938384 4.92943657 -11.26362999
-0.00004782 0.00027140 -0.00010552
0.01098276 -0.01568674 0.04777258
-4.91868298 15.47714480 13.44462696
-0.00001501 0.00003835 -0.00006617
0.02278671 0.00539184 0.04268291
-4.96243206 3.03097528 -7.58872371
0.00008527 0.00003676 -0.00056731
-0.02357137 -0.01131494 -0.00616777
-8.69698307 0.21242728 -4.57859205
0.00005242 -0.00013584 0.00020194
-0.00921613 -0.01550386 0.01341068
2.90535624 27.90183822 5.76820576
0.00010107 -0.00015960 -0.00001080
-0.00426144 0.02421292 -0.00869047
8.73514536 -9.78949194 -2.07465570
-0.00001031 0.00049020 -0.00003569
0.04164190 0.01185178 0.01273724
-6.53090988 1.29560783 9.68654603
0.00027287 -0.00003515 0.00032306
0.04485722 0.00765232 -0.00537670
19.72365612 9.71260199 6.27144493
0.00010741 -0.00026731 -0.00040530
0.04517138 0.01792790 -0.00180380
-3.35956420 0.70784385 -24.28042186
0.00002873 -0.00015809 -0.00001540
-0.06114848 0.02072784 -0.04265571
-13.58352532 8.42424742 9.51043277
-0.00007161 0.00008242 -0.00000872
-0.00273062 -0.00024761 -0.01884944
-13.89949252 5.80508114 -3.94073200
0.00000302 -0.00018561 -0.00001656
-0.00072601 0.06400177 0.01728046
-3.78963245 -15.17163016 21.11146530
-0.00009398 0.00013984 0.00006755
0.01517512 0.00048445 -0.00656609
-6.12783057 8.44363904 -6.81074956
-0.00030864 0.00024137 0.00041556
0.00025523 -0.03274901 0.00656401
-19.77197657 30.19152991 1.13074037
-0.00001556 0.00008493 0.00021007
-0.04646556 -0.00105637 -0.00937357
10.40473162 3.55324100 8.16442133
-0.00023389 0.00002898 -0.00004232
-0.00500494 -0.06909744 -0.03944570
7.48617242 16.49288032 -11.68556904
-0.00008095 -0.00003354 -0.00008995
0.00378531 0.01287678 -0.01114582
13.97311944 4.61287162 -0.89942654
0.00018383 -0.00001578 0.00015101
-0.02048088 0.02704119 0.00349276
-5.50220230 11.97088101 -1.32924537
-0.00016777 -0.00026740 -0.00000857
0.01126170 -0.02780568 0.00370197
8.14742163 11.94175005 5.00183997
0.00027638 -0.00052447 -0.00013858
-0.00278871 -0.02707275 0.00390556
19.82845480 -11.23629081 -10.30777359
0.00000593 0.00018465 -0.00030260
-0.00957763 0.04930090 -0.00048499
19.04060015 -5.96033227 -0.31438169
0.00034704 0.00017572 0.00005982
-0.00284302 -0.01094816 0.01673415
16.05038488 7.72911470 9.57729518
-0.00014473 -0.00018171 0.00006213
-0.00564642 0.01283066 0.01764771
3.95818730 -14.44949458 16.56987651
-0.00030677 -0.00030353 0.00021261
0.00734960 -0.00891056 -0.01935587
-3.34062803 -2.39603129 -13.68365961
-0.00061409 -0.00032062 -0.00030947
0.00213472 -0.00355432 -0.00402640
16.05783077 -6.86911212 -13.45056137
0.00027155 0.00059959 0.00032374
0.00891465 -0.00663488 0.01082099
10.67491717 -4.29633641 6.24055792
-0.00011119 -0.00011658 0.00042082
-0.06638616 0.00763581 0.01732137
-19.55926038 0.85456806 24.89571353
0.00007487 -0.00004974 0.00035192
0.02121581 0.02236891 0.00959120
24.05879407 -0.78994442 -7.58164075
0.00010309 -0.00001354 0.00016094
-0.01224589 0.02535534 -0.01711512
11.50146672 -9.83436625 -11.24947444
-0.00021235 0.00008582 -0.00003345
0.00607076 0.00021334 0.00019180
-9.68375839 -9.91593531 16.42070748
-0.00016608 -0.00008556 0.00041965
0.04004318 0.01826403 0.00275482
7.35133423 0.40406170 -28.51790183
-0.00002219 -0.00030543 -0.00019313
0.03137341 -0.00917862 0.00594700
12.61069274 17.73830679 12.21896145
-0.00020056 -0.00011048 0.00007145
0.01817911 0.03923557 -0.00369739
25.92404394 7.32222035 -11.03102092
0.00000064 0.00010476 -0.00018884
0.01507362 0.00906850 -0.01456877
3.93712377 -29.98276220 -4.73957457
-0.00137475 -0.00000972 0.00006027
0.00831322 0.00747685 -0.01316841
3.46435752 -30.83783272 -2.14578507
0.00006312 0.00009700 -0.00031975
-0.00122040 -0.00821444 0.00014480
-9.95023338 3.53688420 -8.53477733
0.00055430 -0.00024540 -0.00057639
-0.02511804 -0.02868370 -0.01651278
-11.39990381 2.80992545 -11.13509708
0.00026996 -0.00049988 0.00053305
-0.00248288 -0.00485233 0.01356530
-37.38555430 3.56724016 3.29447754
0.00098428 -0.00065879 -0.00018517
-0.00357757 0.00974495 -0.00715310
-38.81860510 0.90545984 3.38875607
-0.00040824 0.00099064 0.00019621
0.03081926 0.02543562 0.01220456
-8.71153775 -3.81482956 1.54943154
0.00023571 0.00025900 -0.00016512
-0.00846632 -0.00527059 0.00755185
-6.37582176 -4.70635996 2.80611838
-0.00010210 0.00016770 -0.00084627
0.00388703 -0.00177656 0.00539580
3.47300189 -1.15430915 9.11897064
-0.00044251 0.00023628 0.00002401
0.04326952 -0.03543041 -0.01691756
2.32333412 1.38711544 8.66356448
-0.00037388 -0.00069333 -0.00093671
-0.00985744 -0.01900120 0.01807035
-30.90131662 -0.30994326 3.55435437
-0.00038554 -0.00009173 0.00038410
0.01949471 -0.04446198 0.00587195
-32.99322245 1.46077549 2.98221221
-0.00004319 0.00029569 -0.00006151
0.02153784 0.00576614 0.01282415
14.97259177 11.96933322 -18.09783193
0.00048553 -0.00111886 -0.00111873
0.04533387 0.03412257 0.00964048
17.88495902 12.41034770 -17.14684874
0.00031645 -0.00011164 0.00001724
-0.00920135 -0.00771433 -0.00684698
-2.93951930 6.64384626 5.27742938
-0.00030689 0.00008622 0.00049992
0.00534776 0.00619674 -0.00085695
-3.55917933 5.40568675 2.70641678
-0.00102595 0.00021838 -0.00029677
0.01211362 -0.00707025 0.03438782
5.48253285 16.58808666 -8.10154150
0.00128738 -0.00002941 -0.00052389
-0.01090860 0.01512171 0.02528456
6.13754159 18.82689404 -6.32174215
-0.00047645 -0.00015901 0.00019669
-0.02829725 -0.03362741 0.00375537
8.41563149 6.66661886 -22.87470352
0.00032399 -0.00031613 -0.00027679
0.00139401 -0.00623062 -0.00043426
9.82168190 7.56271073 -20.32187315
-0.00075200 -0.00037895 0.00119027
-0.01730311 -0.00585611 -0.00752551
19.28671886 20.16513615 -3.96223005
0.00057722 -0.00088620 0.00018240
-0.00453887 -0.02234575 -0.02676599
20.59178584 19.80973178 -6.52923625
-0.00001617 -0.00088226 -0.00017346
-0.01293584 -0.01784645 0.01357601
1.77232424 13.14746604 -20.69697565
0.00054336 -0.00040724 -0.00060626
0.01514381 -0.00342717 0.00511711
0.34932588 15.14351335 -21.73166742
0.00006295 0.00051546 -0.00023597
-0.02437917 0.02465689 -0.01481312
9.82948094 -7.02170564 -0.62475753
0.00010235 0.00039950 0.00070101
0.00505482 0.00269723 0.00342139
9.38744246 -4.19046173 -0.48121272
0.00000568 -0.00077101 0.00037068
0.00204031 0.00366659 0.00245778
-17.17309033 -6.20843427 6.56591714
0.00064211 -0.00069108 -0.00008691
0.00377306 0.00378820 -0.00752494
-18.02044772 -5.88552573 3.72629679
-0.00029911 0.00119188 -0.00048052
0.02477836 0.00724263 0.01948772
-14.55110328 -0.54978829 19.05754613
0.00064158 -0.00074427 -0.00058270
0.00642710 -0.02433756 0.03619679
-14.93013547 -0.39887451 22.07831810
-0.00010636 0.00005597 -0.00025864
0.00979203 -0.01672326 -0.01860734
-0.21643141 3.32180453 -3.49243611
-0.00024847 -0.00114761 0.00008632
-0.02065698 -0.01240673 0.01503690
1.06173172 2.27100712 -5.96026359
-0.00081381 -0.00016069 -0.00034891
-0.00321639 -0.00392729 0.01347414
20.47190425 -9.10817737 -5.57462794
0.00020837 0.00018854 -0.00030050
-0.02580292 0.00818327 -0.02547083
22.71745562 -9.86893061 -4.42904802
0.00069108 0.00102554 -0.00103522
0.04935294 -0.00872237 0.00462618
4.56503300 -11.30129807 5.98400534
0.00076689 -0.00025075 0.00030623
-0.04656730 0.01489097 0.03426468
2.66844829 -11.73806249 8.47161708
-0.00091769 -0.00012353 0.00036556
0.01323912 0.00955117 -0.01537715
-2.53758702 -3.28941347 -20.20488153
-0.00126888 -0.00023459 -0.00024924
0.02594413 0.03550011 0.00210491
-2.45222946 -1.44546923 -17.96870430
-0.00036056 -0.00023783 -0.00029939
0.00019823 0.00727730 0.00516084
1.11305484 5.48303530 -11.05063452
0.00098000 0.00030421 0.00047452
-0.01845012 -0.00307172 -0.00723779
-1.01753769 4.06116467 -9.57642025
0.00138714 0.00065069 -0.00047217
-0.00066650 0.02013053 -0.03942784
-3.82936152 16.16664446 14.89297384
0.00031345 0.00048508 0.00045476
-0.03114528 -0.00602491 -0.03230795
-6.64798311 15.59175145 14.05918109
-0.00021443 0.00052886 -0.00060552
0.00721427 0.00333862 0.00168995
-5.83445843 1.82746161 -6.45745512
0.00041951 0.00050855 0.00030537
0.01012851 0.00841548 -0.01138205
-5.68183865 2.58602249 -9.28670032
-0.00042067 -0.00046523 -0.00024926
0.01350253 0.00118309 0.01399588
-9.68601483 -1.20349153 -3.91090038
0.00044811 -0.00002034 -0.00052360
0.01081977 0.00323924 -0.01038980
-9.35594530 1.54622315 -3.54745955
0.00015593 -0.00174359 0.00015300
-0.00061690 0.01595364 0.00392304
2.28380568 29.18743814 4.54663103
0.00012847 0.00110547 -0.00061762
0.00379804 -0.02493570 0.00350087
2.95036959 28.93469650 7.27118991
-0.00059749 -0.00077221 -0.00017356
-0.00107323 -0.01138533 0.00422154
7.33779976 -10.04105596 -3.11458753
-0.00013046 -0.00111501 -0.00071919
-0.03855499 -0.00294640 -0.01650566
8.70234016 -10.98932954 -0.74118386
0.00015320 0.00008031 -0.00007192
-0.00461309 -0.01399669 0.01000767
-5.18156129 -0.07263333 9.28060242
0.00025311 0.00017679 0.00074557
-0.03318755 0.01108318 0.00805861
-8.18378579 0.77097062 10.10026391
0.00033559 0.00104273 -0.00002416
-0.01172240 -0.01982138 0.00060048
19.46666351 9.31671080 8.08076483
-0.00042828 -0.00007516 -0.00015885
0.00537944 0.00890675 -0.01647963
21.56401160 10.32980225 5.95779060
-0.00102454 -0.00002880 -0.00030579
-0.04428818 -0.01782482 0.01893358
-2.82514853 0.18200628 -22.70680057
-0.00040513 0.00074421 -0.00062784
0.01848829 -0.01533900 0.05490844
-5.26975486 0.91584636 -24.09158820
-0.00074794 -0.00035594 -0.00000713
0.04628589 -0.00767746 -0.00967692
-12.49184951 9.38084160 10.64816701
-0.00047833 -0.00001721 0.00039695
-0.00323130 0.00447439 -0.00997690
-13.53492274 9.40023540 7.90673782
0.00039064 0.00003244 0.00011254
0.00016286 -0.00391603 0.01932027
-13.86402323 4.25480814 -4.70354498
0.00057635 0.00012280 0.00002976
-0.00056568 -0.05186627 -0.02291696
-15.26078254 6.79152411 -4.78680613
0.00092070 0.00118674 -0.00049037
0.00402401 -0.01401180 0.00877632
-5.31985651 -16.16300316 21.17546121
0.00043567 -0.00004743 0.00062683
-0.01639341 -0.00450100 0.00368402
-3.18135667 -15.64460035 19.45615912
0.00013078 0.00032155 0.00052197
0.00573116 0.00497605 0.00160984
-6.32613486 6.64386157 -6.28462629
-0.00082979 -0.00004684 -0.00028666
0.00952459 0.02220542 -0.01225405
-6.95936887 9.40394215 -5.50463464
-0.00053628 -0.00013847 0.00090012
-0.00570660 0.00812438 -0.00355107
-20.48932088 30.99969518 -0.36212705
-0.00027445 0.00038843 0.00035418
0.00812064 -0.00723363 0.01180330
-18.11618886 30.73029837 1.36261916
-0.00017449 0.00040650 -0.00048190
0.04119125 0.00901501 -0.00415649
9.27306838 2.70864417 6.80294087
0.00024252 0.00067507 0.00013886
0.02200857 0.02012996 0.03033210
9.87815554 5.19836542 8.40015311
0.00063030 0.00058686 0.00014902
-0.02401396 0.05375511 0.00411634
8.59731043 17.46404961 -12.84296810
0.00051607 0.00113467 0.00061281
-0.01184291 -0.00287872 0.00438614
8.74655432 15.30633401 -11.15113052
-0.00006002 0.00016326 -0.00030579
0.00260993 -0.01207580 0.00835580
12.90724385 6.05025592 -0.15803794
-0.00074917 -0.00071656 0.00099319
0.02813206 -0.03989880 -0.00985882
14.24494654 3.34568459 0.40697020
0.00052750 -0.00021689 0.00102242
-0.01121602 0.00569885 0.01213339
-4.12106317 11.22622925 -2.32317596
-0.00162068 0.00114515 -0.00058389
-0.00333232 0.01709964 -0.00662297
-5.52183526 10.53394615 -0.16425022
0.00009735 -0.00041989 -0.00004969
-0.01293086 0.01103270 0.00353394
7.99631804 13.71289191 4.75397967
0.00005184 -0.00203046 0.00000594
-0.00224613 0.02069904 -0.00108787
9.80221968 11.39140757 4.44361767
0.00043622 0.00031174 0.00024604
0.00059436 0.00096609 -0.00176820
18.42622919 -11.81879607 -9.36086762
0.00063088 0.00054653 -0.00005891
-0.01949843 0.00259234 0.01908149
20.60784013 -12.74974240 -10.60001151
-0.00023887 -0.00017128 -0.00030519
0.03633588 -0.05467663 -0.01067564
19.10511169 -5.56595623 -2.09051705
-0.00092277 0.00083187 0.00093017
0.00270916 0.00044143 -0.00430345
18.17146143 -7.66376424 -0.22203740
-0.00014848 0.00025583 -0.00022029
0.00381789 0.01722584 -0.00596173
15.37556159 9.46039469 9.48667502
-0.00024561 -0.00002099 -0.00054313
0.00326231 -0.01942258 0.00252612
16.29028830 7.38004738 11.39285893
0.00067088 0.00016732 -0.00018807
-0.00432252 0.00615602 -0.01681687
2.64181699 -15.76470808 16.83822404
0.00013094 -0.00096634 0.00040834
0.00181042 0.01241401 0.00891894
3.62494184 -12.73846846 17.08215169
0.00074360 0.00056881 -0.00003622
-0.01188939 0.00114818 0.00688453
-4.06659475 -4.12295392 -13.45783933
0.00036728 -0.00010323 -0.00026303
0.00596883 0.00926999 -0.00115941
-1.56091805 -2.30997913 -13.23830666
-0.00027024 0.00010222 -0.00031043
-0.00890727 -0.00409478 0.00171210
16.09793206 -7.73003945 -15.14667492
0.00008984 0.00036022 0.00045179
-0.00045365 0.00566568 0.00302567
17.07975467 -7.84677622 -12.23646360
0.00032146 -0.00014346 0.00033911
-0.00873093 0.01077014 -0.01123156
9.47938332 -4.65261117 4.85485097
0.00059246 0.00003259 -0.00025694
0.01869305 0.00403638 0.01169278
12.30030680 -4.75946593 5.79336428
-0.00031742 -0.00046197 -0.00032964
0.03722024 -0.00795772 -0.02156431
-20.95145901 -0.28427557 24.74105909
-0.00069783 0.00024801 -0.00087685
-0.01572513 -0.00903219 0.00284807
-19.96893832 2.22185808 26.07940258
0.00029469 0.00028267 -0.00095512
-0.00527956 -0.00776014 -0.01146096
24.95114488 -2.37069808 -7.40233785
-0.00088356 -0.00031970 0.00039068
0.00442541 -0.00841608 0.00203775
24.17407702 -0.24111574 -9.40041448
-0.00018020 -0.00016226 0.00044636
-0.00066438 -0.01430472 0.01827781
12.56269179 -9.93245534 -9.76738065
0.00077815 -0.00089610 0.00012031
-0.00188493 0.00459118 0.00655720
12.29187780 -8.52508250 -12.26904391
0.00067451 0.00060595 0.00021940
0.00070459 -0.00207204 -0.00032047
-9.43547313 -9.19755247 18.09397071
0.00037839 0.00044483 0.00060810
0.00271127 -0.00104398 -0.00714343
-11.26996760 -10.63735255 16.58306840
-0.00046761 0.00119240 -0.00053146
-0.03759999 -0.01699032 0.00429436
8.63838043 1.16859694 -29.68442947
-0.00006432 -0.00164232 -0.00082100
-0.00971099 -0.00436376 0.00309500
5.72914409 1.10108122 -28.74518422
-0.00001644 -0.00034996 -0.00000064
-0.02177212 0.00967464 -0.00916587
12.49139168 19.60364646 12.45721021
0.00026520 0.00065331 -0.00021980
-0.00538040 -0.02849523 0.00264028
14.23489400 17.65384902 11.30809865
0.00024561 -0.00022524 -0.00066900
-0.01435382 -0.00722097 0.00285971
27.58128357 7.56458211 -11.92555834
-0.00026382 0.00025775 0.00022776
-0.00949667 -0.00082878 0.02225331
26.09994124 7.88569906 -9.27923726
-0.00037838 -0.00092435 -0.00018863
0.00486051 -0.00281740 -0.00199301
-7.30708514 4.60252607 6.70065581
0.00029013 0.00002310 0.00002325
0.00132757 -0.00666048 -0.00536463
-9.09174956 8.77266114 3.85362891
0.00023898 -0.00003455 0.00005100
-0.00093265 0.00047803 -0.00447826
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07652765
0.29083163
387.51856364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.964 s
total exchange = -52.3013444984 (a.u.)
total exchange computation time: 3.1081478596 s
-153.8714261072
-931.36493970
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.3014363816 (a.u.)
total exchange computation time: 3.1100161076 s
-153.8718765556
Anderson extrapolation: theta=1.3444576948 (1.3444576948)
-931.36521791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.962 s
total exchange = -52.3015226264 (a.u.)
total exchange computation time: 3.1068949699 s
-153.8728427006
Anderson extrapolation: theta=0.0523022519 (0.0523022519)
-931.36538483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.3014918202 (a.u.)
total exchange computation time: 3.1124169827 s
-153.8732766871
Anderson extrapolation: theta=1.9746798127 (1.9746798127)
-931.36539147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.960 s
total exchange = -52.3014173235 (a.u.)
total exchange computation time: 3.1094641685 s
-153.8742266627
Anderson extrapolation: theta=0.2370147603 (0.2370147603)
-931.36539889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.961 s
total exchange = -52.3013975558 (a.u.)
total exchange computation time: 3.1120948792 s
-153.8744394500
Anderson extrapolation: theta=1.8884145954 (1.8884145954)
-931.36540043
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.964 s
total exchange = -52.3013752629 (a.u.)
total exchange computation time: 3.1121919155 s
-153.8746750323
Anderson extrapolation: theta=0.2892032242 (0.2892032242)
-931.36540235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.3013837013 (a.u.)
total exchange computation time: 3.1099791527 s
-153.8745858375
Anderson extrapolation: theta=1.2765727954 (1.2765727954)
-931.36540280
72.017537 157.034394 -250.349738
548.697747 1079.122437 -415.845905
620.715284 1236.156831 -666.195643
1535.313586
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.3014046100 (a.u.)
total exchange computation time: 3.1531209946 s
677.75912862
-1081.54577056
89.93240226
-390.57665973
-174.63309908
77.04726512
551.60419304
0.00000000
-931.36540310
3.88933836 -31.56013210 -3.82136265
-0.00034306 0.00035865 0.00004428
-0.00241269 0.00200797 0.00765434
-11.12708979 2.25676075 -9.32571149
-0.00006347 0.00000914 -0.00006428
0.02159406 0.02729767 0.00879581
-37.13280043 1.86159517 3.84427491
-0.00006438 0.00008132 0.00022349
-0.01374021 -0.03567091 -0.00270566
-7.75282565 -3.55109715 3.10626915
-0.00003862 -0.00009036 0.00000051
0.00876377 -0.00226282 -0.01820411
2.15122385 -0.18724798 9.68815217
0.00019673 0.00021347 0.00013333
-0.03642321 0.05589291 -0.00791614
-31.17824200 1.42873151 3.51120251
-0.00012842 -0.00011777 0.00007449
-0.03976326 0.04386982 -0.02093651
16.41632117 13.36934935 -17.75621167
-0.00001112 -0.00010829 0.00014489
-0.03019779 -0.03505514 -0.01249566
-3.20837711 4.98963047 4.52553795
0.00002354 -0.00006157 -0.00054773
-0.01719537 -0.00170250 -0.03742080
4.85809991 17.35300745 -6.45009143
-0.00016179 0.00011984 0.00003056
0.04622165 0.01503906 -0.04144261
8.21001904 6.96526597 -21.06704918
0.00033760 0.00056457 -0.00019327
0.00428892 0.00914679 0.00701764
19.43130631 18.85026493 -5.38904410
0.00062256 0.00014643 0.00003598
0.01653711 0.03645539 0.01472650
2.09728930 14.75640637 -21.50486642
-0.00011574 -0.00011961 0.00014439
0.00808472 -0.01996305 0.01194738
10.48462048 -5.50799756 0.20586807
-0.00008481 -0.00013597 -0.00031742
0.00227931 -0.00098803 0.00025599
-16.61986998 -5.48800387 4.95534133
0.00012125 -0.00010265 -0.00015230
-0.02902276 -0.01112597 -0.01319922
-14.29138250 -1.54850341 20.72970556
0.00008271 0.00000608 0.00006467
-0.01608152 0.04614807 -0.02161801
1.06239749 3.60993638 -4.68716856
-0.00022605 0.00020584 -0.00016808
0.02184945 0.01094150 -0.02595924
21.02716412 -9.66716993 -3.98753574
-0.00025936 0.00011924 -0.00003585
-0.01938330 -0.00469272 0.00995303
2.85354096 -10.80672132 6.85995848
-0.00011269 -0.00000556 -0.00018306
0.03670033 -0.02176183 -0.01419964
-1.70756958 -1.61134781 -19.61970718
0.00001271 -0.00013266 0.00036384
-0.03252108 -0.05159198 -0.01587410
-0.68005882 4.93344703 -11.26502858
-0.00004025 0.00026429 -0.00008152
0.01846415 -0.01195487 0.04556375
-4.91882020 15.47774077 13.44379904
-0.00000284 0.00004141 -0.00004364
0.02453415 0.00652457 0.04493158
-4.96124397 3.03148308 -7.59725709
0.00007309 0.00003092 -0.00057027
-0.02379333 -0.01140009 -0.00537028
-8.69623233 0.21032981 -4.57551126
0.00004908 -0.00014496 0.00020711
-0.00378383 -0.01993768 0.00671279
2.90685590 27.89953766 5.76801025
0.00009825 -0.00014643 -0.00001732
-0.00671850 0.02700291 -0.01667706
8.73515130 -9.78209324 -2.07514188
0.00000926 0.00049561 -0.00002988
0.03448363 0.00919302 0.00985031
-6.52664386 1.29511006 9.69137126
0.00029661 -0.00003054 0.00032022
0.04746323 0.01027925 -0.00569935
19.72544146 9.70866149 6.26535846
0.00012923 -0.00025854 -0.00040560
0.03968822 0.01619273 0.00065304
-3.35936908 0.70555249 -24.28081740
-0.00000426 -0.00014679 -0.00003919
-0.06713099 0.02321988 -0.04983750
-13.58460996 8.42548283 9.51022924
-0.00007300 0.00008213 -0.00001819
-0.00269429 -0.00089211 -0.01798295
-13.89944997 5.80254394 -3.94091380
0.00000251 -0.00015193 -0.00000742
-0.00128270 0.06696730 0.01828576
-3.79098357 -15.16953071 21.11245319
-0.00008597 0.00014060 0.00006494
0.01597182 0.00249321 -0.00357854
-6.13245915 8.44713325 -6.80449082
-0.00030878 0.00022466 0.00041929
-0.00080529 -0.03221360 0.00792491
-19.77238920 30.19279984 1.13385524
-0.00003951 0.00008450 0.00020508
-0.04667448 -0.00064984 -0.01001081
10.40120395 3.55340915 8.16363433
-0.00023622 -0.00000515 -0.00006188
-0.00406488 -0.06360390 -0.03659493
7.48497281 16.49242688 -11.68696132
-0.00007875 -0.00002622 -0.00009614
0.00476459 0.01558854 -0.01291650
13.97579786 4.61273920 -0.89714788
0.00017321 -0.00000281 0.00015428
-0.02078987 0.02339223 0.00921527
-5.50467538 11.96676275 -1.32935964
-0.00016380 -0.00028061 -0.00000533
0.00417009 -0.02356327 0.00891484
8.15155653 11.93377856 4.99977626
0.00027500 -0.00054133 -0.00013606
-0.00258117 -0.03848357 0.00590300
19.82850686 -11.23333097 -10.31231446
0.00000220 0.00020940 -0.00030354
-0.00494459 0.04698145 -0.00315776
19.04579479 -5.95773877 -0.31341987
0.00034531 0.00016961 0.00006978
-0.00389887 -0.01281373 0.02201710
16.04819219 7.72643856 9.57829525
-0.00014772 -0.00017477 0.00007067
-0.00598257 0.01415847 0.01554254
3.95361413 -14.45408189 16.57299102
-0.00030290 -0.00030718 0.00020282
0.00769674 -0.00529269 -0.01871278
-3.34983111 -2.40085435 -13.68831721
-0.00061184 -0.00032154 -0.00031142
0.00660275 0.00000272 -0.00356071
16.06193843 -6.86014382 -13.44566347
0.00027647 0.00059559 0.00032960
0.01021032 -0.00892055 0.01193308
10.67299327 -4.29805558 6.24693704
-0.00014458 -0.00011286 0.00042928
-0.06347072 0.00680406 0.01558929
-19.55805547 0.85390829 24.90102936
0.00008524 -0.00003982 0.00035594
0.01912223 0.01620699 0.00601612
24.06029324 -0.79004967 -7.57929261
0.00009654 -0.00000033 0.00015262
-0.01324894 0.02599268 -0.01525459
11.49830483 -9.83307817 -11.24997544
-0.00020785 0.00008663 -0.00003281
0.01145372 0.00294415 0.00230105
-9.68609519 -9.91714833 16.42701283
-0.00014460 -0.00007565 0.00042162
0.04352141 0.02030926 0.00489552
7.35112239 0.39944491 -28.52077579
-0.00000616 -0.00031038 -0.00018991
0.03097707 -0.01007615 0.00657634
12.60775443 17.73680086 12.22001901
-0.00019023 -0.00008939 0.00006907
0.02201856 0.04277885 -0.00555785
25.92411171 7.32382672 -11.03390968
0.00000774 0.00010916 -0.00019648
0.01251730 0.00804288 -0.01514984
3.91675731 -29.98267891 -4.73907401
-0.00133977 0.00002502 0.00000367
0.00880604 0.00953059 -0.01453839
3.46526692 -30.83662943 -2.15057685
0.00005687 0.00006563 -0.00031280
-0.00184038 -0.00713915 0.00325764
-9.94268855 3.53232427 -8.54392916
0.00045164 -0.00036202 -0.00064249
-0.02513714 -0.02840243 -0.01584459
-11.39593053 2.80227850 -11.12668566
0.00025806 -0.00051734 0.00058118
-0.00334088 -0.00369165 0.00999524
-37.37089971 3.55765697 3.29148081
0.00096823 -0.00060754 -0.00021769
-0.00428151 0.01534245 -0.00876514
-38.82378430 0.92109882 3.39207326
-0.00028290 0.00109184 0.00024559
0.03053774 0.02410245 0.01196389
-8.70826159 -3.81110614 1.54718613
0.00019980 0.00023804 -0.00013464
-0.00910958 -0.00498689 0.00737167
-6.37723415 -4.70389898 2.79358969
-0.00008480 0.00015952 -0.00082316
0.00458101 -0.00222744 0.00591747
3.46769022 -1.15185070 9.11881233
-0.00025999 0.00008630 -0.00004753
0.04607385 -0.03798228 -0.01809908
2.31742385 1.37613331 8.65006758
-0.00041390 -0.00076737 -0.00086384
-0.00973099 -0.01724647 0.01759848
-30.90650234 -0.31268172 3.56029586
-0.00030652 -0.00027273 0.00040813
0.01918410 -0.04413844 0.00588680
-32.99321038 1.46538748 2.98168257
0.00004399 0.00031852 -0.00000925
0.02114099 0.00541237 0.01275681
14.98126385 11.95359592 -18.11431752
0.00067097 -0.00097676 -0.00107712
0.04544375 0.03543694 0.01072978
17.88942374 12.40843678 -17.14679998
0.00027661 -0.00014114 -0.00001160
-0.01029686 -0.00672825 -0.00727127
-2.94395878 6.64532944 5.28490197
-0.00028589 0.00010493 0.00049172
0.00493058 0.00296139 -0.00315792
-3.57419745 5.40874574 2.70301897
-0.00097542 0.00019044 -0.00015644
0.01262165 -0.00660715 0.03430629
5.50150931 16.58810893 -8.10862505
0.00123830 0.00003581 -0.00041271
-0.01311511 0.01680057 0.02913622
6.12952772 18.82347838 -6.31867675
-0.00058938 -0.00029242 0.00021285
-0.02698275 -0.03167377 0.00415542
8.42053404 6.66168591 -22.87886871
0.00033123 -0.00034029 -0.00027523
0.00215243 -0.00559118 0.00119997
9.80987174 7.55684699 -20.30424974
-0.00081421 -0.00039981 0.00115996
-0.01315245 -0.00435366 -0.00731078
19.29523809 20.15115837 -3.96031417
0.00055930 -0.00097246 0.00007559
-0.00423257 -0.01987887 -0.02551956
20.59114696 19.79595102 -6.53142207
-0.00006326 -0.00094859 -0.00012249
-0.01011744 -0.01462281 0.01137095
1.78093870 13.14125235 -20.70591275
0.00060274 -0.00042219 -0.00058438
0.01392338 -0.00389063 0.00559224
0.34952304 15.15200086 -21.73566094
-0.00003481 0.00061370 -0.00029495
-0.02347526 0.02343113 -0.01405454
9.83117103 -7.01563047 -0.61413756
0.00011836 0.00039927 0.00070876
0.00278323 -0.00281241 0.00037311
9.38759019 -4.20191457 -0.47557715
0.00000780 -0.00074806 0.00037681
-0.00100328 0.00756944 0.00053894
-17.16334314 -6.21868442 6.56438296
0.00065681 -0.00067483 -0.00011993
0.00342399 0.00416758 -0.00863959
-18.02417504 -5.86742558 3.71968611
-0.00019634 0.00122028 -0.00039797
0.02552762 0.00665980 0.02092480
-14.54128265 -0.56169816 19.04991484
0.00066678 -0.00084243 -0.00043334
0.00590996 -0.02370913 0.03691559
-14.93143078 -0.39854745 22.07386825
-0.00006728 -0.00001060 -0.00033363
0.00933839 -0.01585961 -0.01809941
-0.22079144 3.30421014 -3.49068050
-0.00032669 -0.00119558 0.00014315
-0.01763169 -0.01107290 0.01277836
1.04942596 2.26847645 -5.96508436
-0.00082527 -0.00017242 -0.00029116
-0.00239244 -0.00181313 0.01479600
20.47423913 -9.10509846 -5.57991598
0.00010235 0.00022113 -0.00040187
-0.02609483 0.00776971 -0.02414928
22.72933412 -9.85381479 -4.44443461
0.00087225 0.00099185 -0.00100951
0.03933367 -0.00776917 0.00796118
4.57510935 -11.30460306 5.98964880
0.00057228 -0.00018910 0.00044759
-0.04869486 0.01528905 0.03493214
2.65508864 -11.73962284 8.47662921
-0.00086210 -0.00008109 0.00029596
0.01397189 0.01122735 -0.01869172
-2.55582526 -3.29184448 -20.20855565
-0.00115856 -0.00008458 -0.00023880
0.02805967 0.03793075 0.00300357
-2.45763179 -1.44881369 -17.97303696
-0.00036210 -0.00020699 -0.00027131
-0.00094956 0.00782126 0.00858042
1.12718940 5.48750436 -11.04373857
0.00089402 0.00028943 0.00044078
-0.02363297 -0.00416369 -0.00927464
-0.99675103 4.07154181 -9.58471094
0.00137955 0.00072789 -0.00062518
-0.00304756 0.01766331 -0.03547317
-3.82561414 16.17373605 14.89880523
0.00018217 0.00045799 0.00031852
-0.03311612 -0.00723513 -0.03438406
-6.65097847 15.59978660 14.05015013
-0.00018443 0.00054255 -0.00059809
0.00746803 0.00336262 0.00194756
-5.82785548 1.83534779 -6.45322332
0.00046099 0.00054325 0.00025775
0.01017973 0.00856681 -0.01193137
-5.68773501 2.57908029 -9.29001031
-0.00036510 -0.00046039 -0.00019235
0.01370258 0.00118470 0.01385986
-9.67896164 -1.20369733 -3.91907279
0.00048819 -0.00001482 -0.00056383
0.00880120 -0.00053660 -0.00930235
-9.35362524 1.52055823 -3.54504431
0.00014629 -0.00166175 0.00018046
-0.00410068 0.02410394 0.00951813
2.28584911 29.20325602 4.53747398
0.00014880 0.00099334 -0.00059378
0.00615568 -0.02994903 0.00817000
2.94137440 28.92276452 7.26871587
-0.00060165 -0.00081410 -0.00014973
-0.00096663 -0.00912338 0.00744127
7.33466149 -10.05787146 -3.12588122
-0.00027463 -0.00112440 -0.00077755
-0.03202053 -0.00164705 -0.01206007
8.70449677 -10.98855377 -0.74195603
0.00013528 0.00002596 -0.00003410
-0.00415999 -0.01261078 0.00850800
-5.17878155 -0.06964185 9.29203290
0.00011818 0.00021937 0.00077730
-0.03286351 0.00976011 0.00747297
-8.17911118 0.78600419 10.09991983
0.00028091 0.00095869 -0.00002034
-0.01504518 -0.02131733 0.00127240
19.46040415 9.31585638 8.07787705
-0.00040535 -0.00003792 -0.00022922
0.00584637 0.00931852 -0.01796388
21.54728644 10.32882406 5.95378401
-0.00119550 -0.00009914 -0.00022985
-0.03940096 -0.01660832 0.01823549
-2.83065895 0.19269933 -22.71453563
-0.00032399 0.00067694 -0.00038773
0.02122854 -0.01758601 0.06262683
-5.27955556 0.91027205 -24.09199168
-0.00055221 -0.00038753 -0.00004769
0.04952334 -0.00778884 -0.01017749
-12.49912351 9.38072058 10.65381557
-0.00049090 0.00000150 0.00035634
-0.00292022 0.00468326 -0.00990237
-13.52905808 9.40060194 7.90901794
0.00039106 0.00001749 0.00018984
0.00004158 -0.00339826 0.01851745
-13.85539529 4.25506081 -4.70380081
0.00057337 -0.00009121 -0.00006655
-0.00089519 -0.05289443 -0.02422638
-15.24684871 6.80889590 -4.79389278
0.00093846 0.00112493 -0.00045369
0.00467021 -0.01624864 0.00917898
-5.31382377 -16.16385250 21.18497660
0.00036535 -0.00006791 0.00064107
-0.01803084 -0.00552525 0.00328575
-3.17921940 -15.63962469 19.46403802
0.00015566 0.00034022 0.00052309
0.00644935 0.00416402 -0.00106282
-6.33828984 6.64383946 -6.28930162
-0.00079036 0.00004502 -0.00033643
0.00977482 0.02275773 -0.01211098
-6.96758800 9.40211405 -5.49124172
-0.00055777 -0.00010753 0.00088249
-0.00480895 0.00702287 -0.00507823
-20.49318875 31.00529993 -0.35645265
-0.00024194 0.00035799 0.00040303
0.00779415 -0.00766716 0.01210959
-18.11754401 30.73667219 1.35526330
-0.00000507 0.00044330 -0.00049825
0.04174246 0.00899444 -0.00384799
9.27738064 2.71938704 6.80595331
0.00032814 0.00075453 0.00025842
0.01990011 0.01876485 0.02819222
9.88687412 5.20881547 8.40251462
0.00053491 0.00079798 0.00016458
-0.02267898 0.04959356 0.00349963
8.60468855 17.48098151 -12.83364148
0.00046358 0.00111879 0.00063418
-0.01385134 -0.00489566 0.00607452
8.74573401 15.30841290 -11.15546136
-0.00004747 0.00011200 -0.00027119
0.00353108 -0.01301627 0.00858183
12.89686840 6.03828490 -0.14344221
-0.00063235 -0.00087934 0.00095040
0.02905126 -0.03978186 -0.01108441
14.25251538 3.34260587 0.42267836
0.00048039 -0.00018680 0.00106288
-0.01184543 0.00903166 0.00766991
-4.14547552 11.24393045 -2.33213727
-0.00162050 0.00120655 -0.00061999
0.00342340 0.01295852 -0.01104813
-5.52077131 10.52798587 -0.16488727
0.00004580 -0.00037426 -0.00003693
-0.01230097 0.01130196 0.00271280
7.99702678 13.68306922 4.75403547
0.00003965 -0.00191994 -0.00000176
-0.00372077 0.03340226 -0.00268377
9.80878127 11.39611327 4.44725407
0.00044133 0.00031361 0.00023806
0.00190364 -0.00005178 -0.00213968
18.43509488 -11.81051863 -9.36116659
0.00054492 0.00055518 0.00002345
-0.02257729 0.00164166 0.02123716
20.60537055 -12.75398702 -10.60491648
-0.00009382 -0.00038826 -0.00034765
0.03466614 -0.05153655 -0.01010795
19.09135321 -5.55346472 -2.07669643
-0.00091099 0.00083612 0.00090109
0.00305569 0.00164183 -0.00992829
18.16935126 -7.65939899 -0.22552448
-0.00013195 0.00032665 -0.00024385
0.00426991 0.01744127 -0.00556935
15.37197737 9.45948462 9.47860542
-0.00023136 -0.00010267 -0.00053170
0.00371219 -0.02055884 0.00306949
16.30021900 7.38274577 11.38952257
0.00065311 0.00019227 -0.00025355
-0.00437343 0.00606033 -0.01523528
2.64383652 -15.77882277 16.84462240
0.00013815 -0.00091275 0.00044547
0.00172157 0.01381806 0.00925732
3.63573155 -12.72990106 17.08181939
0.00069444 0.00056399 -0.00001004
-0.01217757 -0.00351090 0.00592758
-4.06090269 -4.12421834 -13.46182026
0.00038814 -0.00007152 -0.00026689
0.00424474 0.00625420 -0.00073256
-1.56524466 -2.30857134 -13.24291059
-0.00031137 0.00008541 -0.00030495
-0.01122204 -0.00413082 0.00096796
16.09926577 -7.72446261 -15.13980533
0.00008744 0.00038333 0.00046357
-0.00072036 0.00564931 0.00274168
17.08430908 -7.84859809 -12.23172112
0.00028306 -0.00009614 0.00029036
-0.01006590 0.01239381 -0.01263010
9.48884309 -4.65199869 4.85135519
0.00066600 0.00004933 -0.00020822
0.01730574 0.00416202 0.01215630
12.29668603 -4.76663927 5.78775893
-0.00016798 -0.00049303 -0.00041520
0.03593349 -0.00724706 -0.02031941
-20.96240826 -0.28083218 24.72799367
-0.00075522 0.00021727 -0.00086367
-0.01237075 -0.00601535 0.00360263
-19.96467975 2.22586029 26.06472465
0.00026996 0.00025762 -0.00099567
-0.00682378 -0.00450235 -0.00838994
24.93802709 -2.37575154 -7.39641524
-0.00086366 -0.00035618 0.00039862
0.00531726 -0.00943666 0.00185219
24.17135373 -0.24398801 -9.39315893
-0.00018217 -0.00021978 0.00051724
-0.00030138 -0.01385162 0.01641685
12.57430627 -9.94575619 -9.76537512
0.00076363 -0.00087695 0.00013816
-0.00522163 0.00478287 0.00218111
12.30201698 -8.51605680 -12.26576277
0.00067329 0.00059137 0.00022263
-0.00130223 -0.00506136 0.00190355
-9.42971421 -9.19091205 18.10287332
0.00038678 0.00043681 0.00057289
0.00139572 -0.00288300 -0.01009440
-11.27813397 -10.61998722 16.57522809
-0.00062538 0.00112270 -0.00051244
-0.03962768 -0.01712774 0.00501562
8.63711805 1.14382846 -29.69664960
-0.00010377 -0.00165784 -0.00080850
-0.00959985 -0.00323501 0.00302281
5.72823039 1.09612824 -28.74547464
-0.00010481 -0.00031036 -0.00003852
-0.02148798 0.00971336 -0.00937701
12.49520474 19.61257298 12.45399407
0.00024363 0.00052924 -0.00020985
-0.00517670 -0.03223874 0.00223129
14.23813834 17.65024909 11.29815123
0.00017882 -0.00025426 -0.00065286
-0.01834145 -0.00698141 0.00504101
27.57703534 7.56842290 -11.92146005
-0.00029829 0.00025456 0.00031560
-0.00738021 -0.00073059 0.02074372
26.09441447 7.87174751 -9.28212778
-0.00035782 -0.00093384 -0.00019190
0.00520265 -0.00182912 0.00039267
-7.30272955 4.60285468 6.70099021
0.00029060 0.00002069 0.00002133
0.00124370 -0.00681094 -0.00537635
-9.08816646 8.77214375 3.85438609
0.00023878 -0.00003444 0.00004998
-0.00079603 0.00042092 -0.00433279
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07654511
0.28885800
384.88879679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.3063742217 (a.u.)
total exchange computation time: 3.1554310322 s
-153.8921598789
-931.36544288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.782 s
total exchange = -52.3064104379 (a.u.)
total exchange computation time: 3.1539502144 s
-153.8930155348
Anderson extrapolation: theta=1.3456585642 (1.3456585642)
-931.36572276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.3064171416 (a.u.)
total exchange computation time: 3.1530141830 s
-153.8945496215
Anderson extrapolation: theta=0.0519076177 (0.0519076177)
-931.36589044
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.783 s
total exchange = -52.3063780934 (a.u.)
total exchange computation time: 3.1536779404 s
-153.8950323522
Anderson extrapolation: theta=1.9571715774 (1.9571715774)
-931.36589694
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.775 s
total exchange = -52.3062850567 (a.u.)
total exchange computation time: 3.1555621624 s
-153.8960854463
Anderson extrapolation: theta=0.2321979609 (0.2321979609)
-931.36590401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.783 s
total exchange = -52.3062586289 (a.u.)
total exchange computation time: 3.1521890163 s
-153.8963326916
Anderson extrapolation: theta=1.8775127472 (1.8775127472)
-931.36590543
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.3062220087 (a.u.)
total exchange computation time: 3.1555769444 s
-153.8966441023
Anderson extrapolation: theta=0.2856555124 (0.2856555124)
-931.36590715
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.3062248153 (a.u.)
total exchange computation time: 3.1541380882 s
-153.8965871260
Anderson extrapolation: theta=1.2795559230 (1.2795559230)
-931.36590754
72.054987 157.007494 -250.350301
548.669919 1079.119905 -415.870305
620.724906 1236.127398 -666.220606
1535.304611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0626453488
ExchangeOperator: pair fraction: ispin=0: 0.1586371011
ExchangeOperator: bisection time: 2.783 s
total exchange = -52.3062376829 (a.u.)
total exchange computation time: 3.1559541225 s
677.83458692
-1081.69836605
89.92333733
-390.47372166
-174.64550666
77.13044628
551.60419304
0.00000000
-931.36590779
3.88418323 -31.55474464 -3.82066900
-0.00034411 0.00035894 0.00004758
-0.00168446 -0.00086582 0.00518436
-11.12795847 2.25700307 -9.32664176
-0.00005227 0.00002260 -0.00005902
0.02194571 0.02505116 0.01166438
-37.13381908 1.86267732 3.84761686
-0.00007109 0.00006208 0.00022250
-0.01237110 -0.03913573 -0.00116421
-7.75337113 -3.55246128 3.10620653
-0.00003414 -0.00009151 -0.00000890
0.00864391 -0.00221834 -0.01835985
2.15403425 -0.18383039 9.69012157
0.00017780 0.00024180 0.00012955
-0.03717131 0.05426979 -0.00677579
-31.18032175 1.42713418 3.51223905
-0.00014841 -0.00009570 0.00006381
-0.03795915 0.04196025 -0.02057395
16.41603782 13.36758976 -17.75408645
-0.00002633 -0.00012668 0.00013844
-0.02893922 -0.03645098 -0.01260062
-3.20809037 4.98870040 4.51717768
0.00001476 -0.00006175 -0.00056613
-0.01693645 0.00097698 -0.03411861
4.85585132 17.35486301 -6.44979295
-0.00013808 0.00012654 0.00000833
0.04599345 0.01103440 -0.04497235
8.21509963 6.97376986 -21.06992119
0.00033846 0.00056865 -0.00019034
-0.00096744 0.00671469 0.00439854
19.44070857 18.85260199 -5.38844761
0.00063011 0.00016351 0.00004370
0.01282272 0.02998389 0.01529688
2.09558439 14.75453528 -21.50265454
-0.00011173 -0.00012936 0.00015019
0.00749074 -0.01795951 0.01062740
10.48335708 -5.51004099 0.20110769
-0.00008219 -0.00013593 -0.00031599
0.00792391 0.00114855 0.00533094
-16.61816313 -5.48958651 4.95300587
0.00010637 -0.00010826 -0.00015908
-0.02883593 -0.01071570 -0.01316755
-14.29020395 -1.54823416 20.73059219
0.00007475 0.00002922 0.00005329
-0.01483735 0.04384451 -0.02262962
1.05909103 3.61306626 -4.68978995
-0.00021598 0.00021054 -0.00018096
0.01729204 0.00733512 -0.02409414
21.02319890 -9.66539942 -3.98803517
-0.00026667 0.00011679 -0.00003221
-0.00904004 -0.00482949 0.00422964
2.85199221 -10.80688872 6.85715785
-0.00009365 -0.00001716 -0.00018967
0.03732770 -0.02334901 -0.01151929
-1.70750439 -1.61353678 -19.61431079
-0.00000412 -0.00015970 0.00035464
-0.03293434 -0.05354649 -0.01989329
-0.68059135 4.93736527 -11.26607567
-0.00002902 0.00025918 -0.00005896
0.02519019 -0.00792237 0.04215587
-4.91876814 15.47838709 13.44331776
0.00001009 0.00004497 -0.00002016
0.02574727 0.00731320 0.04636421
-4.96023943 3.03190293 -7.60583190
0.00006090 0.00002513 -0.00057282
-0.02359789 -0.01111343 -0.00451672
-8.69551079 0.20807854 -4.57237868
0.00004857 -0.00015617 0.00020882
0.00180996 -0.02365931 -0.00006732
2.90830373 27.89744542 5.76768607
0.00009428 -0.00013204 -0.00002776
-0.00870346 0.02896167 -0.02392384
8.73542327 -9.77462363 -2.07555206
0.00002493 0.00049947 -0.00002566
0.02645620 0.00579621 0.00657362
-6.52201167 1.29469158 9.69615252
0.00032133 -0.00002458 0.00031729
0.04866062 0.01290402 -0.00567238
19.72753298 9.70484591 6.25927703
0.00014793 -0.00025075 -0.00040467
0.03301798 0.01407301 0.00294255
-3.35969186 0.70344026 -24.28159742
-0.00003973 -0.00013451 -0.00006596
-0.07080324 0.02453399 -0.05429256
-13.58571537 8.42671135 9.50988697
-0.00007439 0.00008143 -0.00002713
-0.00268824 -0.00182533 -0.01676506
-13.89941732 5.80052336 -3.94095453
0.00000180 -0.00011747 0.00000195
-0.00148418 0.06701260 0.01814374
-3.79221147 -15.16741202 21.11341348
-0.00007769 0.00014233 0.00006388
0.01622831 0.00419754 -0.00053512
-6.13709393 8.45037893 -6.79817094
-0.00030947 0.00020843 0.00042366
-0.00186540 -0.03091699 0.00909505
-19.77316191 30.19406476 1.13689288
-0.00006303 0.00008436 0.00019996
-0.04478500 0.00011996 -0.00993332
10.39764492 3.55308663 8.16256501
-0.00023808 -0.00003573 -0.00007967
-0.00315201 -0.05531248 -0.03261343
7.48380995 16.49209371 -11.68845324
-0.00007603 -0.00001763 -0.00010312
0.00580475 0.01781308 -0.01422285
13.97831588 4.61278725 -0.89479812
0.00016257 0.00000814 0.00016038
-0.02058931 0.01918761 0.01448893
-5.50711629 11.96246270 -1.32940514
-0.00016357 -0.00029154 0.00000067
-0.00326772 -0.01894139 0.01438497
8.15567151 11.92551017 4.99775809
0.00027374 -0.00056392 -0.00013253
-0.00228792 -0.04936333 0.00781843
19.82852077 -11.23000867 -10.31687969
0.00000098 0.00023228 -0.00030586
0.00019986 0.04198773 -0.00587735
19.05095936 -5.95524411 -0.31228820
0.00034310 0.00016263 0.00008235
-0.00466798 -0.01431164 0.02684282
16.04595334 7.72387165 9.57941524
-0.00015085 -0.00016727 0.00007801
-0.00621433 0.01500663 0.01301289
3.94910033 -14.45871003 16.57596115
-0.00029883 -0.00030892 0.00019336
0.00811534 -0.00146649 -0.01806799
-3.35898326 -2.40567739 -13.69300227
-0.00060738 -0.00032058 -0.00031317
0.01076446 0.00371209 -0.00323474
16.06612486 -6.85124434 -13.44067351
0.00028196 0.00059051 0.00033592
0.01112578 -0.01085246 0.01267107
10.67057972 -4.29972226 6.25343643
-0.00017589 -0.00010969 0.00043682
-0.05827486 0.00552914 0.01372047
-19.55670304 0.85337355 24.90639160
0.00009441 -0.00003323 0.00035804
0.01653248 0.00941339 0.00216660
24.06169020 -0.78995439 -7.57706215
0.00008954 0.00001302 0.00014540
-0.01395175 0.02594739 -0.01280841
11.49523129 -9.83176738 -11.25045869
-0.00020059 0.00008880 -0.00003106
0.01676791 0.00547936 0.00448742
-9.68809624 -9.91820467 16.43335595
-0.00012185 -0.00006496 0.00042463
0.04492610 0.02123416 0.00680934
7.35114952 0.39475038 -28.52359901
0.00000940 -0.00031567 -0.00018637
0.02951518 -0.01052417 0.00716318
12.60498599 17.73562495 12.22103369
-0.00017805 -0.00006673 0.00006578
0.02533683 0.04535468 -0.00724777
25.92427604 7.32549515 -11.03691531
0.00001342 0.00011303 -0.00020434
0.00959004 0.00701979 -0.01541243
3.89693054 -29.98201153 -4.73946445
-0.00130291 0.00006729 -0.00005783
0.00923700 0.01115981 -0.01556505
3.46606353 -30.83586367 -2.15516898
0.00004804 0.00003890 -0.00029293
-0.00247940 -0.00594608 0.00646759
-9.93668428 3.52602366 -8.55405204
0.00035027 -0.00047606 -0.00070496
-0.02448151 -0.02742393 -0.01473565
-11.39216199 2.79440531 -11.11766166
0.00024257 -0.00052986 0.00061392
-0.00424142 -0.00243971 0.00602931
-37.35650751 3.54901406 3.28794690
0.00094971 -0.00053468 -0.00025648
-0.00478032 0.02032035 -0.01022171
-38.82709196 0.93821495 3.39612367
-0.00015964 0.00118694 0.00029371
0.02979831 0.02244894 0.01159404
-8.70554373 -3.80768834 1.54539249
0.00016123 0.00021817 -0.00010505
-0.00977131 -0.00474122 0.00711006
-6.37836579 -4.70157450 2.78142366
-0.00006485 0.00014967 -0.00079798
0.00518273 -0.00259180 0.00640870
3.46520223 -1.15172003 9.11754480
-0.00007085 -0.00007045 -0.00012190
0.04651292 -0.03874934 -0.01830653
2.31091722 1.36409420 8.63764923
-0.00045318 -0.00083312 -0.00079388
-0.00949656 -0.01493768 0.01665050
-30.91051233 -0.31812526 3.56659813
-0.00022952 -0.00044826 0.00043200
0.01850894 -0.04178363 0.00580216
-32.99190265 1.47033116 2.98193474
0.00012818 0.00033983 0.00004232
0.02007120 0.00501647 0.01248582
14.99272101 11.94003042 -18.13014553
0.00085568 -0.00083016 -0.00103136
0.04496958 0.03632626 0.01166973
17.89325740 12.40611351 -17.14719684
0.00023265 -0.00016666 -0.00004203
-0.01122288 -0.00576539 -0.00762493
-2.94809608 6.64699412 5.29218103
-0.00026659 0.00011025 0.00047404
0.00451722 -0.00035709 -0.00549548
-3.58844203 5.41139981 2.70172367
-0.00092327 0.00016472 -0.00001833
0.01290793 -0.00598146 0.03329585
5.51968200 16.58916084 -8.11392294
0.00118076 0.00010695 -0.00028769
-0.01505296 0.01802398 0.03206177
6.11986017 18.81812155 -6.31535669
-0.00069560 -0.00041628 0.00023084
-0.02501147 -0.02896069 0.00465317
8.42556851 6.65641030 -22.88296036
0.00034152 -0.00036181 -0.00026692
0.00288278 -0.00494580 0.00286490
9.79725552 7.55071643 -20.28707439
-0.00085863 -0.00041436 0.00113123
-0.00859231 -0.00276747 -0.00675004
19.30349793 20.13596229 -3.95996229
0.00054256 -0.00104755 -0.00002484
-0.00396298 -0.01687679 -0.02364113
20.58988802 19.78127409 -6.53291100
-0.00009787 -0.00100100 -0.00008163
-0.00682557 -0.01103356 0.00863237
1.79040647 13.13480022 -20.71450713
0.00065689 -0.00043880 -0.00056070
0.01258249 -0.00423664 0.00599898
0.34828149 15.16192436 -21.74051581
-0.00012681 0.00070606 -0.00035041
-0.02155942 0.02178077 -0.01309518
9.83303169 -7.00972767 -0.60349471
0.00012481 0.00037592 0.00070390
0.00037449 -0.00861639 -0.00275221
9.38767643 -4.21290351 -0.46990856
-0.00000261 -0.00070920 0.00037512
-0.00409137 0.01145215 -0.00136624
-17.15338610 -6.22867915 6.56231929
0.00066991 -0.00065721 -0.00015702
0.00299100 0.00445838 -0.00951700
-18.02633787 -5.84891727 3.71435783
-0.00009171 0.00124593 -0.00031061
0.02568947 0.00589692 0.02183488
-14.53109983 -0.57506108 19.04454598
0.00068965 -0.00093717 -0.00028247
0.00528443 -0.02266642 0.03693315
-14.93215379 -0.39919237 22.06830915
-0.00003059 -0.00007271 -0.00040545
0.00861861 -0.01454562 -0.01705384
-0.22623204 3.28593713 -3.48814176
-0.00039111 -0.00123751 0.00018940
-0.01390152 -0.00945125 0.00986323
1.03697357 2.26583466 -5.96899833
-0.00083331 -0.00017588 -0.00022857
-0.00154309 0.00011476 0.01584009
20.47497476 -9.10154338 -5.58668403
-0.00000362 0.00025112 -0.00049563
-0.02577867 0.00691051 -0.02174733
22.74362322 -9.83917512 -4.45933328
0.00101071 0.00096201 -0.00096988
0.02844069 -0.00683530 0.01143913
4.58220138 -11.30697105 5.99743312
0.00037087 -0.00012638 0.00059052
-0.04989554 0.01541385 0.03503136
2.64258528 -11.74049511 8.48049580
-0.00080371 -0.00003239 0.00021395
0.01461160 0.01261190 -0.02145031
-2.57234384 -3.29195086 -20.21204568
-0.00104048 0.00007356 -0.00022510
0.02974338 0.03948170 0.00370651
-2.46309232 -1.45167882 -17.97684375
-0.00036818 -0.00017402 -0.00022981
-0.00203114 0.00831514 0.01173718
1.13987558 5.49171825 -11.03741102
0.00078864 0.00027071 0.00039894
-0.02795538 -0.00500210 -0.01120839
-0.97615115 4.08300146 -9.59517565
0.00136205 0.00079388 -0.00075978
-0.00551889 0.01463867 -0.03041537
-3.82389631 16.18038423 14.90252936
0.00004431 0.00042667 0.00017543
-0.03437062 -0.00809863 -0.03565768
-6.65351614 15.60802783 14.04123854
-0.00015372 0.00055633 -0.00058963
0.00756915 0.00338709 0.00219333
-5.82062865 1.84375899 -6.44972275
0.00050225 0.00057798 0.00020850
0.01001573 0.00843346 -0.01217549
-5.69279158 2.57221071 -9.29247088
-0.00030907 -0.00045571 -0.00013671
0.01372561 0.00110870 0.01337616
-9.67136906 -1.20393602 -3.92781531
0.00051957 -0.00002530 -0.00059935
0.00655661 -0.00459628 -0.00808526
-9.35155650 1.49637056 -3.54204573
0.00012258 -0.00154749 0.00023063
-0.00750529 0.03182629 0.01504001
2.28826981 29.21723845 4.52881763
0.00017793 0.00086243 -0.00055232
0.00810348 -0.03413296 0.01212502
2.93231998 28.91027340 7.26669787
-0.00060550 -0.00084670 -0.00011279
-0.00091732 -0.00683493 0.01064143
7.32956081 -10.07478790 -3.13791402
-0.00039041 -0.00112768 -0.00081623
-0.02465431 0.00004023 -0.00687615
8.70639842 -10.98855086 -0.74220677
0.00011920 -0.00002207 -0.00000305
-0.00370845 -0.01090069 0.00668939
-5.17801589 -0.06605222 9.30392137
-0.00001449 0.00025593 0.00080641
-0.03208062 0.00813639 0.00677896
-8.17535863 0.79973129 10.09965374
0.00021450 0.00086934 -0.00001424
-0.01746240 -0.02241883 0.00171062
19.45450310 9.31557305 8.07388832
-0.00038073 0.00000076 -0.00030465
0.00620225 0.00961709 -0.01896027
21.52814655 10.32682800 5.95089500
-0.00134393 -0.00016351 -0.00015741
-0.03325727 -0.01489811 0.01722652
-2.83486835 0.20231459 -22.71843254
-0.00023370 0.00060259 -0.00012192
0.02297077 -0.01880927 0.06749168
-5.28632117 0.90422038 -24.09301891
-0.00034593 -0.00041922 -0.00008997
0.05145426 -0.00772249 -0.01052059
-12.50657648 9.38088658 10.65885725
-0.00050223 0.00002086 0.00031618
-0.00262519 0.00479228 -0.00975605
-13.52319087 9.40076022 7.91243292
0.00039093 0.00000513 0.00026281
-0.00010746 -0.00265364 0.01720547
-13.84682221 4.25207178 -4.70554139
0.00056890 -0.00030396 -0.00016549
-0.00129223 -0.05124766 -0.02420692
-15.23262867 6.82527188 -4.80041688
0.00095834 0.00105442 -0.00041569
0.00506122 -0.01826471 0.00942076
-5.30889607 -16.16504045 21.19469335
0.00028951 -0.00009193 0.00065355
-0.01909194 -0.00623167 0.00282495
-3.17668688 -15.63439383 19.47185179
0.00018343 0.00035551 0.00051329
0.00714229 0.00332109 -0.00373618
-6.34984576 6.64521208 -6.29471918
-0.00075013 0.00013778 -0.00038514
0.00992168 0.02264802 -0.01173364
-6.97610186 9.40071636 -5.47816002
-0.00057547 -0.00008125 0.00085847
-0.00385590 0.00583812 -0.00667809
-20.49657894 31.01043479 -0.35003609
-0.00021126 0.00032630 0.00045215
0.00722008 -0.00784242 0.01193378
-18.11634093 30.74359725 1.34767162
0.00016283 0.00047871 -0.00051379
0.04044499 0.00833977 -0.00375761
9.28291249 2.73127993 6.81069355
0.00040395 0.00082745 0.00036769
0.01720846 0.01693343 0.02529331
9.89420279 5.22230493 8.40509061
0.00044629 0.00098744 0.00017702
-0.02069929 0.04314739 0.00258912
8.61121777 17.49761336 -12.82394259
0.00040340 0.00109494 0.00066191
-0.01560442 -0.00678107 0.00749765
8.74513010 15.30969406 -11.15926625
-0.00003182 0.00005764 -0.00023605
0.00413394 -0.01359384 0.00861903
12.88827340 6.02387581 -0.12952580
-0.00051304 -0.00103992 0.00090329
0.02935095 -0.03882441 -0.01197838
14.25935826 3.34008067 0.43885658
0.00043089 -0.00014368 0.00108533
-0.01238374 0.01207646 0.00332031
-4.16967807 11.26242582 -2.34177567
-0.00159220 0.00125073 -0.00067482
0.01042689 0.00866901 -0.01579316
-5.52046125 10.52271825 -0.16535807
-0.00000298 -0.00032801 -0.00002743
-0.01157974 0.01134099 0.00193727
7.99750748 13.65529363 4.75392678
0.00002134 -0.00175868 -0.00001588
-0.00524026 0.04553828 -0.00422512
9.81545952 11.40081579 4.45075934
0.00045170 0.00031141 0.00022861
0.00317454 -0.00102307 -0.00248235
18.44257689 -11.80214057 -9.36016401
0.00044828 0.00056034 0.00011349
-0.02473063 0.00088341 0.02283385
20.60502553 -12.76139011 -10.61044093
0.00004156 -0.00058743 -0.00038662
0.03160479 -0.04595966 -0.00896742
19.07778200 -5.54087258 -2.06348428
-0.00089803 0.00084529 0.00084981
0.00328636 0.00284443 -0.01517680
18.16750278 -7.65396483 -0.22935288
-0.00011390 0.00039758 -0.00026570
0.00456872 0.01728048 -0.00512582
15.36862065 9.45731459 9.47072394
-0.00021567 -0.00018788 -0.00051819
0.00397026 -0.02115172 0.00354457
16.30988168 7.38581557 11.38525249
0.00063537 0.00021661 -0.00031163
-0.00431292 0.00585362 -0.01319453
2.64596156 -15.79209061 16.85158812
0.00014480 -0.00085383 0.00048392
0.00153387 0.01502203 0.00956515
3.64577493 -12.72154882 17.08185036
0.00064412 0.00054010 0.00001223
-0.01245373 -0.00818328 0.00497683
-4.05495048 -4.12509947 -13.46584608
0.00040186 -0.00005267 -0.00026891
0.00246952 0.00297441 -0.00025300
-1.57025902 -2.30741670 -13.24745519
-0.00036113 0.00006851 -0.00030232
-0.01313745 -0.00414212 0.00031795
16.10055533 -7.71853954 -15.13276772
0.00008397 0.00040633 0.00047421
-0.00097737 0.00560967 0.00246575
17.08824659 -7.84966040 -12.22775270
0.00023994 -0.00004285 0.00023671
-0.01104402 0.01369319 -0.01363286
9.49936345 -4.65113114 4.84860442
0.00073299 0.00006640 -0.00015858
0.01548313 0.00418934 0.01214413
12.29526749 -4.77425676 5.78090828
-0.00002751 -0.00052005 -0.00049449
0.03282781 -0.00597842 -0.01849449
-20.97411567 -0.27775745 24.71514903
-0.00079797 0.00019943 -0.00084720
-0.00855681 -0.00271911 0.00445777
-19.96083938 2.22958657 26.04953253
0.00023887 0.00024655 -0.00102337
-0.00839574 -0.00091320 -0.00516933
24.92523517 -2.38138333 -7.39037913
-0.00084072 -0.00039586 0.00040574
0.00591137 -0.00998880 0.00163063
24.16861197 -0.24770918 -9.38489726
-0.00018266 -0.00027503 0.00057942
0.00005980 -0.01319329 0.01401969
12.58560074 -9.95876391 -9.76323591
0.00073557 -0.00085673 0.00013849
-0.00851665 0.00511694 -0.00201729
12.31207636 -8.50734129 -12.26236497
0.00066398 0.00056493 0.00023458
-0.00325523 -0.00788177 0.00394356
-9.42386975 -9.18444831 18.11115729
0.00038982 0.00042161 0.00052648
0.00009187 -0.00455362 -0.01262166
-11.28872897 -10.60367159 16.56769517
-0.00078721 0.00105437 -0.00049083
-0.03959152 -0.01631926 0.00556529
8.63526733 1.11886172 -29.70868447
-0.00014257 -0.00166874 -0.00079654
-0.00939214 -0.00210153 0.00283335
5.72599978 1.09177057 -28.74633974
-0.00019007 -0.00027149 -0.00007699
-0.02024662 0.00931139 -0.00945465
12.49870054 19.61952370 12.45091468
0.00022277 0.00039185 -0.00020131
-0.00503436 -0.03501756 0.00194906
14.24025860 17.64622130 11.28851275
0.00009700 -0.00028225 -0.00062845
-0.02171226 -0.00672313 0.00690874
27.57233480 7.57221892 -11.91609046
-0.00032330 0.00025187 0.00039666
-0.00486209 -0.00058533 0.01893681
26.08920656 7.85768386 -9.28499424
-0.00033601 -0.00093943 -0.00018548
0.00547584 -0.00090582 0.00274989
-7.29836728 4.60314673 6.70129575
0.00029102 0.00001823 0.00001940
0.00113743 -0.00693907 -0.00539619
-9.08458613 8.77162783 3.85512819
0.00023861 -0.00003436 0.00004899
-0.00065956 0.00031334 -0.00418285
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07656938
0.28933841
385.52892724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0631540698
ExchangeOperator: pair fraction: ispin=0: 0.1602812331
ExchangeOperator: bisection time: 2.602 s
total exchange = -52.3136414811 (a.u.)
total exchange computation time: 3.2345850468 s
-153.9192490637
-931.36950729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0631540698
ExchangeOperator: pair fraction: ispin=0: 0.1602812331
ExchangeOperator: bisection time: 2.599 s
total exchange = -52.3135780277 (a.u.)
total exchange computation time: 3.2367599010 s
-153.9206290221
Anderson extrapolation: theta=1.3775388630 (1.3775388630)
-931.36979431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0631540698
ExchangeOperator: pair fraction: ispin=0: 0.1602812331
ExchangeOperator: bisection time: 2.596 s
total exchange = -52.3134054625 (a.u.)
total exchange computation time: 3.2333159447 s
-153.9230957774
Anderson extrapolation: theta=0.0624721817 (0.0624721817)
-931.36997372
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0631540698
ExchangeOperator: pair fraction: ispin=0: 0.1602812331
ExchangeOperator: bisection time: 2.600 s
total exchange = -52.3133219277 (a.u.)
total exchange computation time: 3.2375631332 s
-153.9237904807
Anderson extrapolation: theta=2.1791228281 (2.0000000000)
-931.36998273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0631540698
ExchangeOperator: pair fraction: ispin=0: 0.1602812331
ExchangeOperator: bisection time: 2.596 s
total exchange = -52.3131263940 (a.u.)
total exchange computation time: 3.2343211174 s
-153.9253171403
Anderson extrapolation: theta=0.3261741003 (0.3261741003)
-931.36999394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.599 s
total exchange = -52.3130871603 (a.u.)
total exchange computation time: 3.0828840733 s
-153.9258199137
Anderson extrapolation: theta=-0.2426398173 (-0.2426398173)
-931.37002823
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.602 s
total exchange = -52.3130952915 (a.u.)
total exchange computation time: 3.0827739239 s
-153.9257079095
Anderson extrapolation: theta=2.4681595051 (2.0000000000)
-931.37002901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.601 s
total exchange = -52.3131019687 (a.u.)
total exchange computation time: 3.0833170414 s
-153.9255230992
Anderson extrapolation: theta=0.6419304559 (0.6419304559)
-931.37003061
72.095712 156.984072 -250.343027
548.641541 1079.115292 -415.892172
620.737253 1236.099363 -666.235199
1535.293364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.599 s
total exchange = -52.3130969143 (a.u.)
total exchange computation time: 3.0819730759 s
677.92247661
-1081.87907135
89.91303683
-390.35337266
-174.66000415
77.22940905
551.60419304
0.00000000
-931.37003164
3.87901510 -31.54936385 -3.81993535
-0.00034477 0.00035787 0.00004950
-0.00090482 -0.00328850 0.00230799
-11.12865784 2.25743865 -9.32748204
-0.00004110 0.00003466 -0.00005233
0.02147323 0.02185159 0.01435191
-37.13493318 1.86345756 3.85094983
-0.00007698 0.00004146 0.00022227
-0.01052215 -0.04105732 0.00028752
-7.75384992 -3.55384252 3.10600226
-0.00002972 -0.00009266 -0.00001832
0.00856602 -0.00223831 -0.01829844
2.15655790 -0.17999412 9.69203869
0.00015916 0.00026858 0.00012624
-0.03531738 0.04987771 -0.00610824
-31.18269435 1.42586056 3.51311687
-0.00016713 -0.00007517 0.00005345
-0.03484922 0.03788110 -0.01972911
16.41553121 13.36554896 -17.75205844
-0.00004078 -0.00014561 0.00013198
-0.02724295 -0.03718112 -0.01254302
-3.20793428 4.98777787 4.50855420
0.00000620 -0.00006062 -0.00058252
-0.01633550 0.00342388 -0.02964752
4.85395756 17.35680369 -6.44984141
-0.00011482 0.00013107 -0.00001541
0.04444276 0.00656062 -0.04734724
8.22017276 6.98232554 -21.07275925
0.00033650 0.00057148 -0.00018883
-0.00662549 0.00427823 0.00144846
19.45020974 18.85517036 -5.38773310
0.00063563 0.00017697 0.00005164
0.00864207 0.02235315 0.01556143
2.09393727 14.75252564 -21.50036067
-0.00010826 -0.00013798 0.00015527
0.00600282 -0.01557810 0.00910410
10.48215480 -5.51207556 0.19638843
-0.00007668 -0.00013474 -0.00031199
0.01348536 0.00349517 0.01023097
-16.61667875 -5.49125181 4.95056882
0.00009183 -0.00011358 -0.00016574
-0.02773133 -0.00995250 -0.01272501
-14.28913987 -1.54762667 20.73130424
0.00006756 0.00005087 0.00004151
-0.01312007 0.04031698 -0.02318049
1.05591797 3.61625272 -4.69259722
-0.00020844 0.00021337 -0.00019262
0.01205527 0.00363720 -0.02126688
21.01916395 -9.66366617 -3.98850197
-0.00026872 0.00011441 -0.00003175
0.00108388 -0.00444466 -0.00245042
2.85073143 -10.80723626 6.85426836
-0.00007458 -0.00002939 -0.00019490
0.03682017 -0.02417191 -0.00881096
-1.70769327 -1.61613884 -19.60906788
-0.00002102 -0.00018740 0.00034359
-0.03277193 -0.05416852 -0.02309801
-0.68092954 4.94122239 -11.26679753
-0.00001460 0.00025622 -0.00003856
0.03090351 -0.00357473 0.03721206
-4.91851746 15.47908982 13.44319416
0.00002342 0.00004883 0.00000367
0.02609877 0.00769039 0.04629845
-4.95941695 3.03223705 -7.61444156
0.00004897 0.00001961 -0.00057489
-0.02278424 -0.01035381 -0.00353719
-8.69477528 0.20564474 -4.56924662
0.00005090 -0.00016898 0.00020712
0.00726323 -0.02615142 -0.00653948
2.90968441 27.89557660 5.76717734
0.00008943 -0.00011688 -0.00004166
-0.01015186 0.02995839 -0.03009970
8.73589934 -9.76710929 -2.07591153
0.00003632 0.00050140 -0.00002316
0.01781509 0.00171010 0.00311139
-6.51700409 1.29437265 9.70089002
0.00034616 -0.00001730 0.00031448
0.04792801 0.01539990 -0.00524449
19.72987922 9.70113890 6.25321829
0.00016279 -0.00024420 -0.00040264
0.02480534 0.01140529 0.00497762
-3.36056086 0.70151730 -24.28279630
-0.00007632 -0.00012193 -0.00009408
-0.07148860 0.02435898 -0.05506364
-13.58684153 8.42792579 9.50941537
-0.00007577 0.00008020 -0.00003531
-0.00269823 -0.00294970 -0.01505322
-13.89939612 5.79901977 -3.94085529
0.00000108 -0.00008385 0.00001094
-0.00129151 0.06373389 0.01680041
-3.79331418 -15.16526095 21.11436964
-0.00006945 0.00014482 0.00006438
0.01579131 0.00548712 0.00248639
-6.14174311 8.45338610 -6.79178089
-0.00031067 0.00019310 0.00042858
-0.00282349 -0.02867392 0.01000964
-19.77428013 30.19533060 1.13985389
-0.00008498 0.00008470 0.00019506
-0.04056295 0.00121861 -0.00912063
10.39406158 3.55233738 8.16124409
-0.00023941 -0.00006134 -0.00009507
-0.00200779 -0.04427739 -0.02726527
7.48269187 16.49189795 -11.69005489
-0.00007277 -0.00000807 -0.00011062
0.00686024 0.01935965 -0.01494066
13.98067507 4.61298332 -0.89233658
0.00015220 0.00001678 0.00016901
-0.01973226 0.01440193 0.01909517
-5.50958241 11.95801653 -1.32933966
-0.00016715 -0.00030000 0.00000944
-0.01066867 -0.01395966 0.01975053
8.15976885 11.91686097 4.99580024
0.00027265 -0.00059164 -0.00012809
-0.00196633 -0.05844355 0.00947718
19.82853622 -11.22636245 -10.32149027
0.00000242 0.00025194 -0.00030954
0.00538713 0.03446393 -0.00842814
19.05608792 -5.95285987 -0.31094944
0.00034059 0.00015504 0.00009715
-0.00512578 -0.01522225 0.03073248
16.04366655 7.72142051 9.58063561
-0.00015407 -0.00015949 0.00008393
-0.00629398 0.01523011 0.00999819
3.94464914 -14.46334949 16.57879190
-0.00029454 -0.00030868 0.00018427
0.00859325 0.00239277 -0.01730213
-3.36805237 -2.41047179 -13.69771229
-0.00060089 -0.00031769 -0.00031476
0.01445900 0.00751246 -0.00293232
16.07039712 -6.84242858 -13.43558579
0.00028782 0.00058467 0.00034275
0.01165792 -0.01184296 0.01388905
10.66771659 -4.30134628 6.26004167
-0.00020391 -0.00010728 0.00044334
-0.05067156 0.00385133 0.01163744
-19.55522307 0.85291143 24.91177056
0.00010215 -0.00003024 0.00035812
0.01354361 0.00220475 -0.00183658
24.06297953 -0.78965894 -7.57493050
0.00008229 0.00002613 0.00013962
-0.01424145 0.02500462 -0.00968105
11.49228712 -9.83041431 -11.25090732
-0.00019071 0.00009218 -0.00002823
0.02164390 0.00767453 0.00653252
-9.68975069 -9.91909720 16.43975159
-0.00009902 -0.00005412 0.00042852
0.04384913 0.02092154 0.00832929
7.35140436 0.38997467 -28.52636697
0.00002389 -0.00032107 -0.00018256
0.02684921 -0.01045956 0.00768061
12.60241301 17.73479895 12.22199246
-0.00016437 -0.00004308 0.00006170
0.02785052 0.04660316 -0.00864299
25.92451436 7.32721773 -11.04003985
0.00001749 0.00011637 -0.00021221
0.00622803 0.00594962 -0.01518087
3.87766988 -29.98066021 -4.74080882
-0.00126441 0.00011513 -0.00012266
0.00961214 0.01226048 -0.01617296
3.46670818 -30.83546233 -2.15936473
0.00003662 0.00001721 -0.00025998
-0.00310993 -0.00467515 0.00966195
-9.93218038 3.51804234 -8.56507801
0.00025310 -0.00058459 -0.00076196
-0.02308644 -0.02569884 -0.01316364
-11.38865339 2.78638259 -11.10826816
0.00022333 -0.00053712 0.00062974
-0.00517538 -0.00111421 0.00171460
-37.34240828 3.54161650 3.28378655
0.00092964 -0.00044338 -0.00030066
-0.00504502 0.02437128 -0.01140738
-38.82857340 0.95670689 3.40088464
-0.00004049 0.00127458 0.00034003
0.02852652 0.02045599 0.01107895
-8.70342471 -3.80456111 1.54403460
0.00011994 0.00019923 -0.00007673
-0.01043872 -0.00452968 0.00675384
-6.37917979 -4.69940887 2.76965039
-0.00004269 0.00013859 -0.00077091
0.00566688 -0.00283275 0.00684164
3.46556485 -1.15396417 9.11515533
0.00011500 -0.00022640 -0.00019496
0.04445979 -0.03758969 -0.01745867
2.30382857 1.35113962 8.62625132
-0.00049128 -0.00088833 -0.00072881
-0.00915527 -0.01208593 0.01519940
-30.91338798 -0.32612956 3.57325599
-0.00015600 -0.00061022 0.00045530
0.01748130 -0.03749730 0.00559972
-32.98936484 1.47558229 2.98295213
0.00020657 0.00035945 0.00009233
0.01829893 0.00458770 0.01199416
15.00693417 11.92869121 -18.14525834
0.00103679 -0.00068161 -0.00098208
0.04368767 0.03639092 0.01245400
17.89640326 12.40343690 -17.14806100
0.00018569 -0.00018856 -0.00007359
-0.01176438 -0.00495475 -0.00782175
-2.95195653 6.64863691 5.29912329
-0.00024894 0.00010209 0.00044687
0.00412132 -0.00363706 -0.00780872
-3.60189553 5.41368730 2.70246895
-0.00087049 0.00014194 0.00011364
0.01292985 -0.00517042 0.03130690
5.53693215 16.59131737 -8.11725589
0.00111592 0.00018212 -0.00015264
-0.01668531 0.01877417 0.03404781
6.10865977 18.81098983 -6.31175145
-0.00079230 -0.00052736 0.00025109
-0.02232313 -0.02541082 0.00525779
8.43077966 6.65083158 -22.88687643
0.00035473 -0.00038068 -0.00025186
0.00358282 -0.00429240 0.00451071
9.78411271 7.54441626 -20.27031272
-0.00088377 -0.00042234 0.00110549
-0.00371180 -0.00114131 -0.00585404
19.31151489 20.11973189 -3.96105928
0.00052682 -0.00110922 -0.00011616
-0.00374187 -0.01330967 -0.02106394
20.58821077 19.76592095 -6.53387089
-0.00011818 -0.00103811 -0.00005298
-0.00311388 -0.00712933 0.00539079
1.80064537 13.12808844 -20.72273384
0.00070534 -0.00045653 -0.00053554
0.01113524 -0.00444208 0.00631911
0.34571864 15.17318273 -21.74617324
-0.00020906 0.00079082 -0.00040154
-0.01870280 0.01970619 -0.01193529
9.83491530 -7.00435292 -0.59302054
0.00012131 0.00032870 0.00068635
-0.00208710 -0.01449503 -0.00583931
9.38751193 -4.22319060 -0.46432369
-0.00002547 -0.00065485 0.00036582
-0.00709923 0.01515217 -0.00318466
-17.14324575 -6.23840065 6.55967237
0.00068107 -0.00063862 -0.00019714
0.00247210 0.00464205 -0.01012426
-18.02692629 -5.83004756 3.71036773
0.00001228 0.00126813 -0.00022071
0.02521326 0.00497023 0.02217195
-14.52059314 -0.58981313 19.04144060
0.00070975 -0.00102675 -0.00013314
0.00455538 -0.02118533 0.03616646
-14.93234858 -0.40072873 22.06170489
0.00000258 -0.00012850 -0.00047185
0.00762170 -0.01276517 -0.01545274
-0.23252461 3.26708489 -3.48499853
-0.00043924 -0.00127224 0.00022275
-0.00965882 -0.00755242 0.00646275
1.02442661 2.26319990 -5.97194153
-0.00083784 -0.00017192 -0.00016239
-0.00067590 0.00182636 0.01655842
20.47413052 -9.09756478 -5.59478490
-0.00010714 0.00027678 -0.00057756
-0.02489349 0.00564885 -0.01835613
22.75965534 -9.82495436 -4.47353090
0.00110417 0.00093579 -0.00091611
0.01730892 -0.00600015 0.01488070
4.58623550 -11.30839438 6.00736438
0.00016659 -0.00006375 0.00073265
-0.05010324 0.01524302 0.03454267
2.63097740 -11.74059444 8.48304778
-0.00074297 0.00002129 0.00012197
0.01512113 0.01366087 -0.02357418
-2.58703956 -3.28963755 -20.21530855
-0.00091648 0.00023624 -0.00020892
0.03095516 0.04015029 0.00421004
-2.46867733 -1.45403435 -17.97993122
-0.00037840 -0.00013919 -0.00017626
-0.00296730 0.00873304 0.01447642
1.15084849 5.49562558 -11.03177039
0.00066745 0.00024907 0.00034948
-0.03136558 -0.00558812 -0.01300253
-0.95588949 4.09535827 -9.60750440
0.00133434 0.00084631 -0.00087132
-0.00804692 0.01102483 -0.02418474
-3.82428493 16.18653607 14.90406816
-0.00009706 0.00039256 0.00002890
-0.03482992 -0.00859914 -0.03607199
-6.65558993 15.61647665 14.03246136
-0.00012292 0.00057015 -0.00058032
0.00750784 0.00337646 0.00236119
-5.81278800 1.85268705 -6.44696837
0.00054237 0.00061156 0.00015894
0.00962447 0.00800475 -0.01208329
-5.69700696 2.56540907 -9.29411167
-0.00025335 -0.00045150 -0.00008377
0.01354898 0.00095130 0.01253768
-9.66337465 -1.20445639 -3.93705334
0.00054143 -0.00005271 -0.00062971
0.00414831 -0.00882101 -0.00677556
-9.34994773 1.47413339 -3.53812541
0.00008561 -0.00140355 0.00030244
-0.01059419 0.03863457 0.02011320
2.29118713 29.22912900 4.52090438
0.00021417 0.00071626 -0.00049621
0.00963582 -0.03742165 0.01534254
2.92320933 28.89736340 7.26533205
-0.00060926 -0.00087011 -0.00006312
-0.00092273 -0.00462018 0.01367637
7.32294915 -10.09170188 -3.15036824
-0.00047526 -0.00112341 -0.00083291
-0.01688142 0.00205117 -0.00128501
8.70807280 -10.98921601 -0.74204755
0.00010498 -0.00006255 0.00002005
-0.00325411 -0.00891273 0.00461749
-5.17921633 -0.06196393 9.31622530
-0.00014296 0.00028520 0.00083248
-0.03080428 0.00619057 0.00598134
-8.17267629 0.81208443 10.09949248
0.00014044 0.00077641 -0.00000690
-0.01878954 -0.02307189 0.00188558
19.44898215 9.31587913 8.06873759
-0.00035495 0.00004042 -0.00038304
0.00642053 0.00979973 -0.01941287
21.50696844 10.32391890 5.94906174
-0.00146439 -0.00021972 -0.00008979
-0.02570858 -0.01262160 0.01587578
-2.83766997 0.21077711 -22.71819314
-0.00013873 0.00052561 0.00015664
0.02351551 -0.01887206 0.06886488
-5.28993333 0.89769544 -24.09469090
-0.00013454 -0.00045028 -0.00013331
0.05201838 -0.00748215 -0.01069472
-12.51419034 9.38134628 10.66330102
-0.00051220 0.00004070 0.00027688
-0.00225548 0.00492081 -0.00948181
-13.51733025 9.40075587 7.91690235
0.00039017 -0.00000367 0.00032937
-0.00026230 -0.00165611 0.01537334
-13.83832833 4.24594197 -4.70876552
0.00056262 -0.00050462 -0.00026169
-0.00178288 -0.04697642 -0.02288502
-15.21809845 6.84052849 -4.80636362
0.00097925 0.00097627 -0.00037711
0.00517297 -0.01999120 0.00946803
-5.30513845 -16.16661032 21.20458324
0.00021067 -0.00011806 0.00066401
-0.01950026 -0.00656269 0.00229188
-3.17371664 -15.62895943 19.47943657
0.00021387 0.00036735 0.00049279
0.00776263 0.00247518 -0.00629755
-6.36079361 6.64797271 -6.30085586
-0.00070955 0.00022864 -0.00043182
0.00994277 0.02183095 -0.01111772
-6.98485203 9.39967646 -5.46548760
-0.00058924 -0.00005989 0.00082790
-0.00288361 0.00461821 -0.00828539
-20.49952664 31.01508902 -0.34288816
-0.00018345 0.00029446 0.00049955
0.00639589 -0.00774462 0.01126734
-18.11265912 30.75103342 1.33984964
0.00032171 0.00051015 -0.00052931
0.03732788 0.00705373 -0.00383910
9.28949899 2.74421060 6.81698392
0.00046743 0.00089187 0.00046336
0.01386546 0.01460108 0.02154039
9.90026287 5.23843872 8.40782528
0.00036671 0.00114683 0.00018526
-0.01825705 0.03487331 0.00144589
8.61679065 17.51382963 -12.81378419
0.00033669 0.00106376 0.00069485
-0.01705254 -0.00848023 0.00862710
8.74477955 15.31014211 -11.16254292
-0.00001443 0.00000175 -0.00020118
0.00437555 -0.01376509 0.00845162
12.88147720 6.00708732 -0.11634350
-0.00039390 -0.00119480 0.00085330
0.02897107 -0.03698969 -0.01249049
14.26544218 3.33829560 0.45523828
0.00037947 -0.00008893 0.00109046
-0.01278998 0.01472019 -0.00080831
-4.19324159 11.28145249 -2.35238198
-0.00153544 0.00127745 -0.00074923
0.01735647 0.00440666 -0.02062677
-5.52086086 10.51814567 -0.16571014
-0.00004863 -0.00028212 -0.00002097
-0.01076269 0.01111918 0.00122428
7.99766702 13.63030890 4.75355915
-0.00000307 -0.00155088 -0.00003592
-0.00670783 0.05618210 -0.00558736
9.82233233 11.40545562 4.45411248
0.00046709 0.00030539 0.00021786
0.00436017 -0.00192364 -0.00278048
18.44854325 -11.79370838 -9.35776204
0.00034507 0.00056296 0.00020858
-0.02579281 0.00039606 0.02371328
20.60661745 -12.77160989 -10.61651496
0.00016206 -0.00075964 -0.00041993
0.02737928 -0.03833927 -0.00733947
19.06441220 -5.52810612 -2.05120226
-0.00088436 0.00085921 0.00077843
0.00340486 0.00397244 -0.01976164
18.16593429 -7.64747161 -0.23349542
-0.00009495 0.00046704 -0.00028566
0.00470578 0.01671894 -0.00464617
15.36550726 9.45384824 9.46305969
-0.00019938 -0.00027423 -0.00050290
0.00400582 -0.02111896 0.00394174
16.31928003 7.38924412 11.38017377
0.00061811 0.00023990 -0.00036047
-0.00413507 0.00554617 -0.01071507
2.64818060 -15.80443780 16.85914005
0.00015050 -0.00079042 0.00052355
0.00125582 0.01601810 0.00983208
3.65505508 -12.71369810 17.08218635
0.00059267 0.00049744 0.00003072
-0.01273012 -0.01269715 0.00407368
-4.04884692 -4.12579830 -13.46988741
0.00040836 -0.00004743 -0.00026882
0.00071084 -0.00041166 0.00029297
-1.57607853 -2.30651593 -13.25198032
-0.00041784 0.00005164 -0.00030214
-0.01462510 -0.00411600 -0.00022797
16.10178499 -7.71227268 -15.12557899
0.00007956 0.00042852 0.00048356
-0.00118535 0.00525001 0.00210867
17.09150726 -7.84988350 -12.22461978
0.00019415 0.00001490 0.00018216
-0.01136961 0.01457438 -0.01306907
9.51083272 -4.65000684 4.84659792
0.00079168 0.00008337 -0.00010997
0.01324885 0.00412171 0.01164886
12.29586084 -4.78224065 5.77292417
0.00009698 -0.00054084 -0.00056519
0.02810909 -0.00420077 -0.01611427
-20.98634749 -0.27484936 24.70257760
-0.00082453 0.00019530 -0.00082707
-0.00444338 0.00070046 0.00539695
-19.95751355 2.23325689 26.03402360
0.00020140 0.00025058 -0.00103783
-0.00994610 0.00288513 -0.00191214
24.91280554 -2.38762730 -7.38424307
-0.00081599 -0.00043672 0.00041186
0.00619520 -0.01001337 0.00136364
24.16587387 -0.25223892 -9.37577637
-0.00018169 -0.00032715 0.00063070
0.00041651 -0.01231987 0.01108234
12.59637325 -9.97145803 -9.76122034
0.00069447 -0.00083508 0.00012239
-0.01159831 0.00548018 -0.00586411
12.32193624 -8.49910882 -12.25872549
0.00064693 0.00052750 0.00025439
-0.00508995 -0.01044186 0.00575784
-9.41801967 -9.17826364 18.11866772
0.00038762 0.00040004 0.00047078
-0.00116801 -0.00600726 -0.01464349
-11.30175038 -10.58835609 16.56050333
-0.00094443 0.00099120 -0.00046726
-0.03736900 -0.01460402 0.00597098
8.63284100 1.09376619 -29.72054569
-0.00018031 -0.00167502 -0.00078558
-0.00908055 -0.00097219 0.00253126
5.72252834 1.08798355 -28.74778428
-0.00026836 -0.00023515 -0.00011550
-0.01807715 0.00847909 -0.00939654
12.50188780 19.62432834 12.44795474
0.00020237 0.00024521 -0.00019367
-0.00495132 -0.03676063 0.00179200
14.24104820 17.64178147 11.27929768
0.00000290 -0.00030930 -0.00059710
-0.02434644 -0.00651591 0.00843681
27.56733628 7.57597907 -11.90956030
-0.00033726 0.00024988 0.00046977
-0.00197201 -0.00038943 0.01685013
26.08433424 7.84356470 -9.28769218
-0.00031324 -0.00094143 -0.00016967
0.00566944 -0.00007250 0.00498817
-7.29399891 4.60340152 6.70157232
0.00029141 0.00001573 0.00001747
0.00100846 -0.00703798 -0.00543562
-9.08100810 8.77111300 3.85585573
0.00023847 -0.00003430 0.00004803
-0.00057225 0.00015477 -0.00409563
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07794409
0.29208756
389.19202385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.422 s
total exchange = -52.3200147793 (a.u.)
total exchange computation time: 3.0828778744 s
-153.9518494016
-931.37415986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.421 s
total exchange = -52.3200337550 (a.u.)
total exchange computation time: 3.0831019878 s
-153.9530590312
Anderson extrapolation: theta=1.4046525861 (1.4046525861)
-931.37444759
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.424 s
total exchange = -52.3200318639 (a.u.)
total exchange computation time: 3.0818009377 s
-153.9551441007
Anderson extrapolation: theta=0.0673218780 (0.0673218780)
-931.37463261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.418 s
total exchange = -52.3200052496 (a.u.)
total exchange computation time: 3.0830860138 s
-153.9556699879
Anderson extrapolation: theta=2.2073078754 (2.0000000000)
-931.37464247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.419 s
total exchange = -52.3199456664 (a.u.)
total exchange computation time: 3.0809509754 s
-153.9567694452
Anderson extrapolation: theta=0.3304302370 (0.3304302370)
-931.37465470
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.417 s
total exchange = -52.3199314722 (a.u.)
total exchange computation time: 3.0846159458 s
-153.9570495033
Anderson extrapolation: theta=1.1726974048 (1.1726974048)
-931.37465763
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.421 s
total exchange = -52.3199304877 (a.u.)
total exchange computation time: 3.0832159519 s
-153.9571882848
Anderson extrapolation: theta=0.4314064281 (0.4314064281)
-931.37466008
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.419 s
total exchange = -52.3199449557 (a.u.)
total exchange computation time: 3.0859930515 s
-153.9570723223
Anderson extrapolation: theta=0.9057354442 (0.9057354442)
-931.37466089
72.138019 156.964373 -250.321372
548.612377 1079.109093 -415.911379
620.750396 1236.073466 -666.232751
1535.276765
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1608436993
ExchangeOperator: bisection time: 2.418 s
total exchange = -52.3199675702 (a.u.)
total exchange computation time: 3.0828218460 s
678.01955020
-1082.08494432
89.90165621
-390.21380111
-174.67715472
77.34384469
551.60419304
0.00000000
-931.37466131
3.87383999 -31.54400844 -3.81918389
-0.00034506 0.00035570 0.00004990
-0.00019210 -0.00515742 -0.00077598
-11.12919156 2.25804282 -9.32821161
-0.00003025 0.00004501 -0.00004427
0.02072221 0.01841981 0.01698731
-37.13612845 1.86392105 3.85428501
-0.00008190 0.00002003 0.00022272
-0.00862115 -0.04226797 0.00144613
-7.75426262 -3.55524104 3.10565682
-0.00002527 -0.00009383 -0.00002776
0.00873925 -0.00232770 -0.01839435
2.15880908 -0.17577306 9.69390869
0.00014187 0.00029276 0.00012310
-0.03192919 0.04416242 -0.00609366
-31.18533580 1.42487918 3.51384248
-0.00018418 -0.00005693 0.00004350
-0.03141932 0.03301916 -0.01895707
16.41481443 13.36322133 -17.75012719
-0.00005438 -0.00016495 0.00012552
-0.02565248 -0.03800946 -0.01255141
-3.20790422 4.98688175 4.49970199
-0.00000206 -0.00005830 -0.00059656
-0.01581113 0.00558958 -0.02494084
4.85240666 17.35879499 -6.45025515
-0.00009241 0.00013324 -0.00004039
0.04271862 0.00189748 -0.04978972
8.22519477 6.99091423 -21.07558615
0.00033162 0.00057318 -0.00018892
-0.01235395 0.00234510 -0.00178978
19.45977759 18.85791118 -5.38689854
0.00063905 0.00018646 0.00005973
0.00463945 0.01453213 0.01593184
2.09233646 14.75039581 -21.49799657
-0.00010569 -0.00014541 0.00015957
0.00400600 -0.01330377 0.00762797
10.48105656 -5.51408317 0.19174811
-0.00006834 -0.00013228 -0.00030552
0.01896529 0.00605586 0.01490943
-16.61540830 -5.49299390 4.94803360
0.00007790 -0.00011851 -0.00017216
-0.02643993 -0.00920139 -0.01224483
-14.28817701 -1.54670814 20.73183745
0.00006127 0.00007068 0.00002941
-0.01136482 0.03673072 -0.02385385
1.05283791 3.61946724 -4.69556856
-0.00020359 0.00021432 -0.00020278
0.00679829 0.00006473 -0.01824426
21.01513736 -9.66196720 -3.98898767
-0.00026583 0.00011232 -0.00003485
0.01016447 -0.00368605 -0.00960075
2.84975471 -10.80777028 6.85131089
-0.00005581 -0.00004199 -0.00019880
0.03619764 -0.02482632 -0.00636873
-1.70813497 -1.61915880 -19.60400315
-0.00003794 -0.00021544 0.00033097
-0.03301105 -0.05485023 -0.02598677
-0.68102933 4.94505194 -11.26723232
0.00000267 0.00025557 -0.00002082
0.03626444 0.00102193 0.03173810
-4.91806543 15.47985188 13.44342773
0.00003694 0.00005283 0.00002754
0.02646429 0.00789755 0.04652879
-4.95877024 3.03249129 -7.62307850
0.00003745 0.00001452 -0.00057649
-0.02201269 -0.00942778 -0.00269698
-8.69398374 0.20300919 -4.56616501
0.00005594 -0.00018284 0.00020228
0.01234344 -0.02776289 -0.01229769
2.91098678 27.89393891 5.76643639
0.00008391 -0.00010126 -0.00005859
-0.01132278 0.03079531 -0.03573593
8.73651285 -9.75958176 -2.07624700
0.00004339 0.00050113 -0.00002240
0.00968803 -0.00272689 -0.00014171
-6.51162675 1.29417253 9.70558707
0.00037044 -0.00000871 0.00031195
0.04645989 0.01802531 -0.00459375
19.73241683 9.69751988 6.24719796
0.00017327 -0.00023906 -0.00039957
0.01592782 0.00858428 0.00692797
-3.36198137 0.69978226 -24.28441997
-0.00011294 -0.00010965 -0.00012197
-0.07090867 0.02340691 -0.05335530
-13.58798850 8.42911747 9.50882764
-0.00007716 0.00007831 -0.00004260
-0.00268874 -0.00440843 -0.01329967
-13.89938488 5.79800787 -3.94062643
0.00000058 -0.00005228 0.00001906
-0.00064248 0.05903350 0.01479451
-3.79429507 -15.16306755 21.11534498
-0.00006149 0.00014788 0.00006640
0.01515910 0.00643420 0.00537128
-6.14641407 8.45617206 -6.78531363
-0.00031234 0.00017896 0.00043393
-0.00367564 -0.02631426 0.01079264
-19.77571127 30.19660585 1.14274454
-0.00010450 0.00008569 0.00019068
-0.03535530 0.00262938 -0.00790650
10.39046274 3.55124655 8.15971282
-0.00024004 -0.00008110 -0.00010759
-0.00045675 -0.03259101 -0.02142588
7.48162672 16.49185155 -11.69177180
-0.00006894 0.00000220 -0.00011842
0.00805097 0.02060163 -0.01539864
13.98288203 4.61329050 -0.88972773
0.00014231 0.00002295 0.00017990
-0.01875373 0.00961177 0.02324656
-5.51213083 11.95346266 -1.32912181
-0.00017450 -0.00030597 0.00002100
-0.01791691 -0.00925947 0.02516930
8.16385102 11.90776088 4.99391550
0.00027171 -0.00062374 -0.00012284
-0.00168455 -0.06638095 0.01093318
19.82859324 -11.22245036 -10.32616587
0.00000644 0.00026752 -0.00031447
0.01026683 0.02608887 -0.01076245
19.06117693 -5.95059305 -0.30937359
0.00033788 0.00014702 0.00011384
-0.00538382 -0.01593021 0.03416588
16.04133121 7.71908687 9.58193312
-0.00015733 -0.00015167 0.00008829
-0.00637946 0.01518828 0.00695178
3.94026425 -14.46797048 16.58148917
-0.00028995 -0.00030648 0.00017545
0.00922774 0.00615240 -0.01698413
-3.37700993 -2.41520823 -13.70244494
-0.00059257 -0.00031290 -0.00031626
0.01787677 0.01112914 -0.00291849
16.07475932 -6.83370419 -13.43039093
0.00029385 0.00057827 0.00034994
0.01182763 -0.01305701 0.01405382
10.66446255 -4.30294060 6.26673669
-0.00022788 -0.00010579 0.00044884
-0.04254872 0.00193130 0.00975896
-19.55363862 0.85246632 24.91713535
0.00010832 -0.00003094 0.00035616
0.01044850 -0.00493588 -0.00581067
24.06415899 -0.78917059 -7.57287354
0.00007491 0.00003867 0.00013552
-0.01447802 0.02377973 -0.00625229
11.48950992 -9.82900204 -11.25130556
-0.00017837 0.00009663 -0.00002436
0.02635497 0.00964199 0.00851623
-9.69106687 -9.91982832 16.44621150
-0.00007706 -0.00004361 0.00043310
0.04153758 0.01996713 0.00946817
7.35186633 0.38511826 -28.52907567
0.00003691 -0.00032639 -0.00017846
0.02376071 -0.01021133 0.00826380
12.60005489 17.73433247 12.22288455
-0.00014944 -0.00001885 0.00005692
0.03020744 0.04764237 -0.00994340
25.92480073 7.32898621 -11.04328150
0.00001982 0.00011921 -0.00021993
0.00285399 0.00510251 -0.01484546
3.85899830 -29.97855748 -4.74314436
-0.00122441 0.00016650 -0.00018920
0.00996627 0.01288112 -0.01639500
3.46716224 -30.83534751 -2.16296834
0.00002266 0.00000079 -0.00021421
-0.00372734 -0.00336111 0.01274261
-9.92909137 3.50848604 -8.57691073
0.00016286 -0.00068487 -0.00081180
-0.02108482 -0.02338780 -0.01123672
-11.38546197 2.77829160 -11.09876957
0.00020021 -0.00053890 0.00062747
-0.00614416 0.00024371 -0.00282554
-37.32861825 3.53571257 3.27892707
0.00090892 -0.00033766 -0.00034907
-0.00509827 0.02738057 -0.01228668
-38.82830655 0.97645250 3.40632459
0.00007254 0.00135359 0.00038403
0.02679904 0.01821959 0.01045752
-8.70194544 -3.80171149 1.54309063
0.00007593 0.00018103 -0.00004989
-0.01110646 -0.00437625 0.00638417
-6.37964650 -4.69741684 2.75829642
-0.00001875 0.00012668 -0.00074206
0.00604995 -0.00299723 0.00727864
3.46865224 -1.15851203 9.11169589
0.00028840 -0.00037439 -0.00026281
0.04042267 -0.03485282 -0.01575448
2.29617883 1.33744435 8.61578492
-0.00052786 -0.00093109 -0.00067052
-0.00875181 -0.00884680 0.01333433
-30.91519228 -0.33643193 3.58025703
-0.00008712 -0.00075187 0.00047755
0.01623281 -0.03184053 0.00529394
-32.98570556 1.48111458 2.98470459
0.00027659 0.00037726 0.00014001
0.01597545 0.00413141 0.01134673
15.02382479 11.91958226 -18.15960789
0.00121226 -0.00053276 -0.00092986
0.04220574 0.03647023 0.01310692
17.89882812 12.40045664 -17.14940453
0.00013663 -0.00020710 -0.00010588
-0.01225088 -0.00411858 -0.00798455
-2.95556441 6.65005680 5.30558699
-0.00023281 0.00008083 0.00041042
0.00377423 -0.00676734 -0.01003325
-3.61455662 5.41565791 2.70513291
-0.00081805 0.00012275 0.00023585
0.01273703 -0.00422079 0.02851744
5.55315972 16.59462449 -8.11850218
0.00104492 0.00025964 -0.00001095
-0.01807367 0.01916973 0.03531134
6.09609127 18.80230079 -6.30782398
-0.00087682 -0.00062251 0.00027407
-0.01904934 -0.02116440 0.00598889
8.43621038 6.64498979 -22.89051606
0.00037074 -0.00039692 -0.00023020
0.00425402 -0.00365587 0.00608829
9.77074242 7.53804614 -20.25390982
-0.00088869 -0.00042367 0.00108393
0.00130126 0.00048938 -0.00469750
19.31930252 20.10268580 -3.96344720
0.00051190 -0.00115531 -0.00019574
-0.00355978 -0.00925292 -0.01789045
20.58634268 19.75013087 -6.53450040
-0.00012261 -0.00105886 -0.00003832
0.00094247 -0.00302952 0.00178298
1.81156671 13.12110442 -20.73057329
0.00074775 -0.00047480 -0.00050920
0.00962464 -0.00450049 0.00657324
0.34200957 15.18564882 -21.75256213
-0.00027834 0.00086646 -0.00044767
-0.01520849 0.01732270 -0.01064575
9.83667100 -6.99986653 -0.58290424
0.00010784 0.00025779 0.00065648
-0.00450678 -0.02021637 -0.00878301
9.38691234 -4.23254906 -0.45893400
-0.00006025 -0.00058598 0.00034939
-0.00992443 0.01856304 -0.00485571
-17.13295390 -6.24783766 6.55640497
0.00068997 -0.00061945 -0.00023927
0.00188103 0.00474136 -0.01049779
-18.02596949 -5.81087325 3.70773646
0.00011330 0.00128633 -0.00013038
0.02423532 0.00393902 0.02204554
-14.50980727 -0.60586355 19.04055173
0.00072673 -0.00110962 0.00001176
0.00375518 -0.01937950 0.03476369
-14.93207628 -0.40304742 22.05415360
0.00003125 -0.00017629 -0.00053088
0.00640851 -0.01062743 -0.01344082
-0.23940914 3.24776979 -3.48145922
-0.00046959 -0.00129884 0.00024179
-0.00520157 -0.00546638 0.00285756
1.01183822 2.26067707 -5.97386993
-0.00083881 -0.00016145 -0.00009383
0.00020507 0.00329992 0.01700088
20.47176065 -9.09323998 -5.60401074
-0.00020625 0.00029673 -0.00064430
-0.02362497 0.00411452 -0.01431627
22.77674827 -9.81110133 -4.48681653
0.00115303 0.00091267 -0.00084865
0.00661150 -0.00531977 0.01813976
4.58719898 -11.30888352 6.01941262
-0.00003699 -0.00000222 0.00087193
-0.04955043 0.01487537 0.03363748
2.62029625 -11.73985654 8.48415499
-0.00068033 0.00007869 0.00002243
0.01553979 0.01444148 -0.02515086
-2.59983815 -3.28486359 -20.21831341
-0.00078827 0.00040032 -0.00019101
0.03180443 0.04016849 0.00455761
-2.47444419 -1.45585466 -17.98213148
-0.00039210 -0.00010279 -0.00011246
-0.00374195 0.00908919 0.01675404
1.15989912 5.49919043 -11.02692664
0.00053388 0.00022550 0.00029292
-0.03401828 -0.00594931 -0.01468223
-0.93612100 4.10839074 -9.62131534
0.00129624 0.00088303 -0.00095548
-0.01060230 0.00695113 -0.01701298
-3.82680814 16.19216090 14.90339624
-0.00023927 0.00035693 -0.00011812
-0.03478315 -0.00883878 -0.03589334
-6.65720360 15.62513239 14.02382889
-0.00009246 0.00058393 -0.00057025
0.00739983 0.00336878 0.00256752
-5.80435749 1.86210570 -6.44495452
0.00058053 0.00064288 0.00011034
0.00905428 0.00732984 -0.01170700
-5.70039198 2.55866573 -9.29498409
-0.00019864 -0.00044811 -0.00003488
0.01322876 0.00070816 0.01139388
-9.65512601 -1.20551737 -3.94670662
0.00055333 -0.00009745 -0.00065465
0.00167209 -0.01307810 -0.00543103
-9.34898824 1.45426399 -3.53297243
0.00003696 -0.00123421 0.00039354
-0.01321776 0.04426143 0.02448041
2.29469499 29.23872612 4.51393142
0.00025597 0.00055810 -0.00042821
0.01082293 -0.03999758 0.01794116
2.91404214 28.88417024 7.26480440
-0.00061317 -0.00088484 -0.00000156
-0.00099114 -0.00259047 0.01645318
7.31530290 -10.10849015 -3.16290121
-0.00052861 -0.00111047 -0.00082671
-0.00923012 0.00428044 0.00431851
8.70954775 -10.99042739 -0.74160534
0.00009259 -0.00009463 0.00003444
-0.00281153 -0.00679205 0.00242682
-5.18230464 -0.05749626 9.32889581
-0.00026536 0.00030591 0.00085510
-0.02911436 0.00394680 0.00508907
-8.17114549 0.82302358 10.09944679
0.00006311 0.00068155 0.00000061
-0.01906200 -0.02336334 0.00179147
19.44385470 9.31678579 8.06239712
-0.00032847 0.00008062 -0.00046234
0.00654173 0.00987650 -0.01940724
21.48421475 10.32023627 5.94820144
-0.00155140 -0.00026555 -0.00002822
-0.01688054 -0.00980901 0.01426237
-2.83903040 0.21808303 -22.71373327
-0.00004378 0.00045048 0.00043415
0.02296359 -0.01790769 0.06697607
-5.29035749 0.89071194 -24.09701833
0.00007699 -0.00048011 -0.00017713
0.05152811 -0.00711701 -0.01075225
-12.52194242 9.38210756 10.66716368
-0.00052057 0.00006106 0.00023887
-0.00184233 0.00504435 -0.00912340
-13.51148570 9.40065002 7.92231396
0.00038877 -0.00000801 0.00038764
-0.00042187 -0.00046677 0.01314875
-13.82994372 4.23693317 -4.71339218
0.00055412 -0.00068377 -0.00035042
-0.00237713 -0.04071772 -0.02054811
-15.20325119 6.85455991 -4.81173010
0.00100012 0.00089158 -0.00033865
0.00504159 -0.02146242 0.00935482
-5.30257592 -16.16858239 21.21461358
0.00013134 -0.00014485 0.00067211
-0.01933488 -0.00654695 0.00167453
-3.17027065 -15.62337334 19.48663541
0.00024670 0.00037578 0.00046220
0.00830531 0.00165192 -0.00867356
-6.37113212 6.65207128 -6.30767389
-0.00066905 0.00031499 -0.00047565
0.00987877 0.02044031 -0.01033774
-6.99377893 9.39891959 -5.45332296
-0.00059913 -0.00004346 0.00079089
-0.00196027 0.00342540 -0.00983239
-20.50208236 31.01926861 -0.33504970
-0.00015939 0.00026347 0.00054341
0.00537996 -0.00742702 0.01020602
-18.10668963 30.75890189 1.33179238
0.00046508 0.00053534 -0.00054541
0.03285490 0.00527525 -0.00404370
9.29693524 2.75803612 6.82459441
0.00051604 0.00094585 0.00054213
0.00993325 0.01182280 0.01701732
9.90520406 5.25670977 8.41064855
0.00029743 0.00127041 0.00018859
-0.01565708 0.02562291 0.00018130
8.62131845 17.52952618 -12.80309707
0.00026461 0.00102600 0.00073185
-0.01823302 -0.01000527 0.00948594
8.74469716 15.30974655 -11.16530162
0.00000325 -0.00005414 -0.00016732
0.00428059 -0.01359227 0.00812130
12.87645652 5.98803188 -0.10392670
-0.00027741 -0.00134085 0.00080183
0.02805035 -0.03450198 -0.01270519
14.27074225 3.33741266 0.47157045
0.00032662 -0.00002425 0.00107934
-0.01307661 0.01694273 -0.00463572
-4.21574140 11.30074922 -2.36425242
-0.00145119 0.00128726 -0.00084308
0.02388575 0.00039486 -0.02531369
-5.52192008 10.51425455 -0.16598717
-0.00009078 -0.00023760 -0.00001734
-0.00987006 0.01067306 0.00055491
7.99741547 13.60876736 4.75284909
-0.00003320 -0.00130377 -0.00006098
-0.00804309 0.06477613 -0.00667793
9.82947236 11.40997755 4.45729521
0.00048716 0.00029586 0.00020596
0.00546414 -0.00274219 -0.00304669
18.45292887 -11.78525191 -9.35390676
0.00023965 0.00056410 0.00030591
-0.02580746 0.00016439 0.02393094
20.60988733 -12.78417934 -10.62303880
0.00026397 -0.00089843 -0.00044598
0.02250515 -0.02959980 -0.00541112
19.05125107 -5.51509621 -2.04013135
-0.00087035 0.00087747 0.00069003
0.00345405 0.00496302 -0.02351085
18.16465421 -7.63995376 -0.23792271
-0.00007575 0.00053355 -0.00030359
0.00469196 0.01584111 -0.00413011
15.36263937 9.44908760 9.45563701
-0.00018334 -0.00035944 -0.00048613
0.00384428 -0.02059096 0.00426756
16.32842496 7.39301258 11.37443836
0.00060178 0.00026180 -0.00039856
-0.00385813 0.00517226 -0.00793024
2.65047661 -15.81580331 16.86729454
0.00015491 -0.00072329 0.00056423
0.00090149 0.01684445 0.01008442
3.66355504 -12.70662555 17.08277199
0.00054001 0.00043695 0.00004571
-0.01304592 -0.01691660 0.00326196
-4.04269979 -4.12652236 -13.47391079
0.00040771 -0.00005616 -0.00026661
-0.00102645 -0.00386208 0.00079268
-1.58279435 -2.30586740 -13.25651941
-0.00047970 0.00003494 -0.00030393
-0.01565443 -0.00405927 -0.00064816
16.10294201 -7.70568406 -15.11826103
0.00007420 0.00044973 0.00049170
-0.00143792 0.00513285 0.00187822
17.09407112 -7.84921340 -12.22228781
0.00014705 0.00007567 0.00012851
-0.01168522 0.01517468 -0.01319562
9.52311395 -4.64862994 4.84530534
0.00084066 0.00009993 -0.00006420
0.01072305 0.00398381 0.01075588
12.29817688 -4.79048198 5.76395249
0.00020017 -0.00055369 -0.00062539
0.02240078 -0.00208941 -0.01335140
-20.99885164 -0.27189834 24.69033692
-0.00083417 0.00020508 -0.00080299
-0.00027324 0.00408462 0.00639026
-19.95479728 2.23710402 26.01839748
0.00015766 0.00027026 -0.00103920
-0.01146693 0.00674967 0.00124466
24.90075559 -2.39448496 -7.37802345
-0.00079062 -0.00047675 0.00041682
0.00621928 -0.00958068 0.00106784
24.16316130 -0.25752370 -9.36597629
-0.00017928 -0.00037542 0.00066910
0.00076352 -0.01130974 0.00771729
12.60643494 -9.98381629 -9.75956416
0.00064125 -0.00081191 0.00009146
-0.01445337 0.00586261 -0.00927877
12.33148417 -8.49151629 -12.25473313
0.00062268 0.00048020 0.00028104
-0.00678044 -0.01271099 0.00728609
-9.41224116 -9.17244714 18.12528070
0.00038041 0.00037299 0.00040783
-0.00236289 -0.00723361 -0.01617104
-11.31706200 -10.57393563 16.55367742
-0.00108895 0.00093636 -0.00044219
-0.03337162 -0.01223836 0.00629953
8.62985816 1.06861107 -29.73225179
-0.00021663 -0.00167672 -0.00077607
-0.00869829 0.00014205 0.00212395
5.71794901 1.08471618 -28.74980469
-0.00033640 -0.00020286 -0.00015361
-0.01522892 0.00732686 -0.00925955
12.50477162 19.62688006 12.44510463
0.00018220 0.00009319 -0.00018644
-0.00492042 -0.03765631 0.00174544
14.24034570 17.63694231 11.27059967
-0.00010089 -0.00033541 -0.00056020
-0.02646285 -0.00626463 0.00962490
27.56221691 7.57971535 -11.90199747
-0.00033881 0.00024879 0.00053402
0.00121719 -0.00014507 0.01460018
26.07980938 7.82944109 -9.29008440
-0.00028983 -0.00094025 -0.00014510
0.00579162 0.00065035 0.00704097
-7.28962512 4.60361853 6.70181971
0.00029174 0.00001319 0.00001551
0.00085909 -0.00713263 -0.00546316
-9.07743206 8.77059871 3.85656900
0.00023835 -0.00003430 0.00004710
-0.00048050 -0.00014902 -0.00393333
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07800940
0.29665191
395.27379951
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.330 s
total exchange = -52.3279506620 (a.u.)
total exchange computation time: 3.0564630032 s
-153.9861655486
-931.37980703
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.329 s
total exchange = -52.3279503159 (a.u.)
total exchange computation time: 3.0557389259 s
-153.9872033877
Anderson extrapolation: theta=1.3383949448 (1.3383949448)
-931.38005449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.326 s
total exchange = -52.3279071511 (a.u.)
total exchange computation time: 3.0555911064 s
-153.9890071065
Anderson extrapolation: theta=0.0493733467 (0.0493733467)
-931.38020050
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.3278671135 (a.u.)
total exchange computation time: 3.0563819408 s
-153.9895067100
Anderson extrapolation: theta=1.8996309677 (1.8996309677)
-931.38020577
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.327 s
total exchange = -52.3277779407 (a.u.)
total exchange computation time: 3.0567879677 s
-153.9905624518
Anderson extrapolation: theta=0.2317581600 (0.2317581600)
-931.38021136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.327 s
total exchange = -52.3277555777 (a.u.)
total exchange computation time: 3.0584251881 s
-153.9908079650
Anderson extrapolation: theta=1.9601246683 (1.9601246683)
-931.38021250
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.327 s
total exchange = -52.3277275518 (a.u.)
total exchange computation time: 3.0554368496 s
-153.9911287035
Anderson extrapolation: theta=0.3058319822 (0.3058319822)
-931.38021395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.331 s
total exchange = -52.3277346859 (a.u.)
total exchange computation time: 3.0594561100 s
-153.9910716770
Anderson extrapolation: theta=1.2905982043 (1.2905982043)
-931.38021429
72.180628 156.946881 -250.288256
548.582232 1079.102012 -415.928069
620.762861 1236.048893 -666.216325
1535.254893
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1604542996
ExchangeOperator: bisection time: 2.327 s
total exchange = -52.3277547362 (a.u.)
total exchange computation time: 3.0546531677 s
678.13732125
-1082.32532479
89.88634823
-390.05354783
-174.69725663
77.47436514
551.60419304
0.00000000
-931.38021450
3.86866340 -31.53869281 -3.81843842
-0.00034498 0.00035272 0.00004865
0.00047494 -0.00643239 -0.00408494
-11.12956541 2.25878908 -9.32881012
-0.00002003 0.00005337 -0.00003496
0.01904731 0.01405609 0.01922447
-37.13739023 1.86405845 3.85763135
-0.00008569 -0.00000150 0.00022370
-0.00612181 -0.04145353 0.00237135
-7.75460790 -3.55665751 3.10516948
-0.00002073 -0.00009507 -0.00003719
0.00891624 -0.00247104 -0.01827475
2.16081393 -0.17121131 9.69573168
0.00012686 0.00031340 0.00011990
-0.02642392 0.03608329 -0.00635429
-31.18821964 1.42415254 3.51442185
-0.00019915 -0.00004160 0.00003408
-0.02679588 0.02660733 -0.01767020
16.41389975 13.36060046 -17.74829277
-0.00006701 -0.00018447 0.00011909
-0.02344575 -0.03787936 -0.01244975
-3.20799613 4.98602876 4.49065738
-0.00000996 -0.00005499 -0.00060790
-0.01490316 0.00729863 -0.01915436
4.85118532 17.36080093 -6.45105299
-0.00007125 0.00013288 -0.00006633
0.03955413 -0.00330559 -0.05109164
8.23012148 6.99952102 -21.07842685
0.00032383 0.00057390 -0.00019071
-0.01794920 0.00043599 -0.00515468
19.46938122 18.86076411 -5.38594107
0.00064034 0.00019170 0.00006785
0.00036262 0.00586766 0.01562923
2.09076656 14.74816335 -21.49557362
-0.00010429 -0.00015159 0.00016307
0.00142535 -0.01074873 0.00599300
10.48010464 -5.51604405 0.18722281
-0.00005733 -0.00012852 -0.00029680
0.02385935 0.00858596 0.01899838
-16.61434184 -5.49480697 4.94540392
0.00006488 -0.00012296 -0.00017823
-0.02416657 -0.00812109 -0.01134036
-14.28730182 -1.54550624 20.73218664
0.00005599 0.00008833 0.00001714
-0.00915110 0.03189396 -0.02388359
1.04981030 3.62268226 -4.69868064
-0.00020151 0.00021344 -0.00021122
0.00127604 -0.00347754 -0.01458915
21.01118918 -9.66029668 -3.98954744
-0.00025850 0.00011072 -0.00004170
0.01830365 -0.00250439 -0.01704140
2.84905724 -10.80849582 6.84830430
-0.00003767 -0.00005470 -0.00020146
0.03432843 -0.02463377 -0.00395666
-1.70883135 -1.62260191 -19.59913891
-0.00005483 -0.00024346 0.00031713
-0.03269063 -0.05412612 -0.02780628
-0.68084935 4.94888936 -11.26742225
0.00002242 0.00025734 -0.00000630
0.04050608 0.00587733 0.02475503
-4.91740923 15.48067486 13.44402027
0.00005042 0.00005684 0.00005123
0.02595950 0.00765912 0.04559667
-4.95829335 3.03267280 -7.63173625
0.00002650 0.00001004 -0.00057763
-0.02059379 -0.00802079 -0.00173302
-8.69309697 0.20015945 -4.56317827
0.00006340 -0.00019707 0.00019476
0.01666213 -0.02757062 -0.01692893
2.91220179 27.89253879 5.76541975
0.00007792 -0.00008541 -0.00007807
-0.01199200 0.03084684 -0.04001726
8.73720110 -9.75207527 -2.07658356
0.00004630 0.00049850 -0.00002326
0.00163607 -0.00751926 -0.00318526
-6.50589100 1.29411147 9.71024867
0.00039340 0.00000122 0.00030986
0.04284403 0.02055746 -0.00353975
19.73507731 9.69396708 6.24123108
0.00017876 -0.00023554 -0.00039558
0.00543179 0.00510705 0.00860154
-3.36394892 0.69822780 -24.28645526
-0.00014847 -0.00009821 -0.00014800
-0.06726695 0.02109070 -0.04790043
-13.58915622 8.43027515 9.50813731
-0.00007854 0.00007563 -0.00004888
-0.00270377 -0.00600593 -0.01111102
-13.89937860 5.79745139 -3.94028344
0.00000052 -0.00002382 0.00002594
0.00041063 0.05164170 0.01194708
-3.79515900 -15.16082450 21.11636176
-0.00005403 0.00015130 0.00006985
0.01388235 0.00687447 0.00803861
-6.15111338 8.45875501 -6.77876310
-0.00031441 0.00016627 0.00043958
-0.00435571 -0.02303753 0.01119510
-19.77741517 30.19790138 1.14557419
-0.00012088 0.00008745 0.00018706
-0.02832852 0.00421529 -0.00614165
10.38686038 3.54990429 8.15801626
-0.00023971 -0.00009445 -0.00011678
0.00174521 -0.01931649 -0.01430556
7.48062368 16.49196409 -11.69360750
-0.00006450 0.00001292 -0.00012630
0.00922146 0.02107858 -0.01524314
13.98494430 4.61367183 -0.88693954
0.00013309 0.00002655 0.00019270
-0.01707984 0.00436945 0.02651057
-5.51481748 11.94883736 -1.32870980
-0.00018536 -0.00030953 0.00003512
-0.02431226 -0.00458515 0.02977571
8.16792019 11.89814870 4.99211511
0.00027089 -0.00065903 -0.00011697
-0.00150580 -0.07082506 0.01187064
19.82872946 -11.21833700 -10.33092449
0.00001278 0.00027842 -0.00032046
0.01436806 0.01630414 -0.01249932
19.06622440 -5.94844914 -0.30753416
0.00033512 0.00013884 0.00013192
-0.00536133 -0.01588948 0.03613510
16.03894665 7.71687040 9.58328426
-0.00016059 -0.00014404 0.00009099
-0.00630113 0.01447371 0.00354903
3.93595054 -14.47254402 16.58405541
-0.00028503 -0.00030242 0.00016682
0.00990062 0.00965651 -0.01656458
-3.38582957 -2.41985882 -13.70720009
-0.00058267 -0.00030627 -0.00031778
0.02061973 0.01465805 -0.00297570
16.07921277 -6.82508053 -13.42508765
0.00029988 0.00057135 0.00035706
0.01161219 -0.01385913 0.01365154
10.66088026 -4.30452001 6.27350699
-0.00024726 -0.00010534 0.00045335
-0.03282413 -0.00019361 0.00777430
-19.55197355 0.85198313 24.92245531
0.00011286 -0.00003527 0.00035219
0.00720376 -0.01189627 -0.00961103
24.06522675 -0.78849878 -7.57086481
0.00006754 0.00005038 0.00013333
-0.01419093 0.02174957 -0.00228881
11.48693604 -9.82751539 -11.25163809
-0.00016378 0.00010199 -0.00001954
0.03035937 0.01118684 0.01022966
-9.69206259 -9.92040540 16.45274445
-0.00005686 -0.00003384 0.00043812
0.03702650 0.01802029 0.01005932
7.35251161 0.38018307 -28.53172062
0.00004809 -0.00033146 -0.00017407
0.01972207 -0.00952290 0.00877338
12.59792981 17.73423354 12.22369993
-0.00013352 0.00000556 0.00005155
0.03171723 0.04726740 -0.01092727
25.92510911 7.33079405 -11.04663768
0.00002035 0.00012161 -0.00022733
-0.00082994 0.00424351 -0.01393239
3.84093752 -29.97566533 -4.74648469
-0.00118303 0.00021916 -0.00025565
0.01029149 0.01289865 -0.01613540
3.46738787 -30.83543867 -2.16579100
0.00000628 -0.00001028 -0.00015637
-0.00428908 -0.00205772 0.01556812
-9.92729456 3.49749639 -8.58943210
0.00008235 -0.00077422 -0.00085290
-0.01832364 -0.02035332 -0.00887857
-11.38264711 2.77021553 -11.08944415
0.00017313 -0.00053513 0.00060636
-0.00711019 0.00160099 -0.00750660
-37.31514066 3.53148669 3.27331459
0.00088845 -0.00022237 -0.00040016
-0.00492466 0.02905719 -0.01272471
-38.82639729 0.99731472 3.41240545
0.00017719 0.00142279 0.00042516
0.02442883 0.01565110 0.00967777
-8.70114684 -3.79913007 1.54253792
0.00002924 0.00016339 -0.00002469
-0.01174596 -0.00425930 0.00595004
-6.37974243 -4.69560851 2.74738853
0.00000647 0.00011432 -0.00071152
0.00629803 -0.00305213 0.00767203
3.47421698 -1.16519589 9.10727091
0.00044140 -0.00050797 -0.00032198
0.03447125 -0.03053426 -0.01320670
2.28799273 1.32320688 8.60613574
-0.00056264 -0.00095979 -0.00062078
-0.00827258 -0.00520362 0.01101182
-30.91600172 -0.34868568 3.58758252
-0.00002385 -0.00086790 0.00049830
0.01474224 -0.02495591 0.00486097
-32.98106721 1.48690007 2.98715245
0.00033578 0.00039317 0.00018463
0.01300144 0.00365745 0.01049470
15.04330204 11.91270844 -18.17315417
0.00138047 -0.00038448 -0.00087550
0.04013520 0.03611468 0.01350173
17.90050218 12.39722396 -17.15123741
0.00008608 -0.00022232 -0.00013864
-0.01249544 -0.00333340 -0.00805187
-2.95894098 6.65106195 5.31143578
-0.00021801 0.00004727 0.00036516
0.00347319 -0.00966077 -0.01211942
-3.62643710 5.41736985 2.70954459
-0.00076701 0.00010784 0.00034473
0.01224959 -0.00308016 0.02477742
5.56827962 16.59910646 -8.11758438
0.00096889 0.00033787 0.00013416
-0.01914120 0.01912539 0.03572142
6.08235531 18.79231465 -6.30352947
-0.00094649 -0.00069853 0.00030030
-0.01505463 -0.01604942 0.00685161
8.44190181 6.63892395 -22.89378255
0.00038942 -0.00041057 -0.00020234
0.00489299 -0.00302784 0.00755272
9.75745188 7.53170602 -20.23779481
-0.00087309 -0.00041848 0.00106755
0.00633494 0.00205402 -0.00331956
19.32687199 20.08507263 -3.96693155
0.00049755 -0.00118383 -0.00026095
-0.00346471 -0.00471082 -0.01403103
20.58453235 19.73415513 -6.53502064
-0.00011025 -0.00106275 -0.00003886
0.00511101 0.00112684 -0.00204701
1.82307790 13.11384458 -20.73800988
0.00078385 -0.00049295 -0.00048202
0.00804579 -0.00438838 0.00673104
0.33736843 15.19917654 -21.75960346
-0.00033215 0.00093168 -0.00048822
-0.01113161 0.01460211 -0.00919939
9.83815050 -6.99661912 -0.57332621
0.00008482 0.00016449 0.00061520
-0.00676149 -0.02545784 -0.01142421
9.38570453 -4.24076987 -0.45384190
-0.00010586 -0.00050421 0.00032662
-0.01240262 0.02146149 -0.00629378
-17.12254677 -6.25698409 6.55249420
0.00069628 -0.00060011 -0.00028235
0.00121040 0.00472512 -0.01058653
-18.02352739 -5.79145753 3.70645628
0.00020900 0.00130010 -0.00004177
0.02261274 0.00279840 0.02133234
-14.49879126 -0.62310167 19.04179339
0.00074027 -0.00118422 0.00014915
0.00287117 -0.01714087 0.03248830
-14.93141122 -0.40601743 22.04577856
0.00005444 -0.00021450 -0.00058068
0.00494413 -0.00807467 -0.01093688
-0.24661245 3.22811968 -3.47774479
-0.00048157 -0.00131653 0.00024592
-0.00065985 -0.00319330 -0.00083838
0.99926241 2.25835648 -5.97475641
-0.00083614 -0.00014549 -0.00002421
0.00109784 0.00450976 0.01708030
20.46794289 -9.08866301 -5.61411397
-0.00029939 0.00030991 -0.00069336
-0.02196794 0.00233959 -0.00969595
22.79424638 -9.79757432 -4.49899045
0.00115961 0.00089198 -0.00076848
-0.00339272 -0.00480724 0.02110323
4.58512571 -11.30846101 6.03352238
-0.00023615 0.00005720 0.00100634
-0.04793831 0.01421010 0.03215454
2.61056747 -11.73823359 8.48372080
-0.00061632 0.00013857 -0.00008214
0.01579250 0.01486700 -0.02604005
-2.61068757 -3.27762786 -20.22103895
-0.00065761 0.00056279 -0.00017208
0.03215386 0.03935903 0.00471028
-2.48044039 -1.45711793 -17.98330495
-0.00040847 -0.00006512 -0.00004062
-0.00426896 0.00934899 0.01840972
1.16686490 5.50239068 -11.02298271
0.00039127 0.00020092 0.00022986
-0.03578940 -0.00608273 -0.01618658
-0.91700229 4.12184922 -9.63616894
0.00124775 0.00090205 -0.00100820
-0.01313465 0.00235698 -0.00878960
-3.83146307 16.19724404 14.90052457
-0.00038023 0.00032057 -0.00026325
-0.03421723 -0.00896201 -0.03514778
-6.65836376 15.63399460 14.01535378
-0.00006275 0.00059761 -0.00055941
0.00714372 0.00332459 0.00273823
-5.79537209 1.87197356 -6.44365816
0.00061593 0.00067090 0.00006398
0.00827206 0.00638270 -0.01098881
-5.70296626 2.55196579 -9.29515821
-0.00014567 -0.00044590 0.00000864
0.01270411 0.00037428 0.00991124
-9.64677489 -1.20737985 -3.95669274
0.00055513 -0.00015928 -0.00067410
-0.00078718 -0.01718866 -0.00409322
-9.34883881 1.43710720 -3.52631914
-0.00002087 -0.00104544 0.00050011
-0.01509039 0.04814249 0.02768341
2.29886616 29.24587194 4.50805800
0.00030185 0.00039118 -0.00035100
0.01163517 -0.04170984 0.01985596
2.90481420 28.87081832 7.26528511
-0.00061745 -0.00089182 0.00007042
-0.00110327 -0.00083074 0.01878610
7.30709096 -10.12501608 -3.17516951
-0.00055134 -0.00108814 -0.00079798
-0.00189643 0.00665035 0.00974426
8.71085039 -10.99205503 -0.74101440
0.00008201 -0.00011779 0.00003972
-0.00236423 -0.00454193 0.00015612
-5.18717727 -0.05278669 9.34187820
-0.00037975 0.00031667 0.00087384
-0.02687681 0.00132132 0.00408653
-8.17078292 0.83253088 10.09951089
-0.00001294 0.00058637 0.00000722
-0.01816704 -0.02322808 0.00144103
19.43912816 9.31829774 8.05486726
-0.00030177 0.00012086 -0.00054048
0.00652574 0.00982134 -0.01884276
21.46042652 10.31595247 5.94821523
-0.00159937 -0.00029860 0.00002608
-0.00660156 -0.00636946 0.01231599
-2.83898349 0.22429146 -22.70516869
0.00004652 0.00038134 0.00069685
0.02123859 -0.01593615 0.06161611
-5.28762369 0.88329227 -24.10000472
0.00028376 -0.00050814 -0.00022084
0.04968841 -0.00660667 -0.01064679
-12.52980742 9.38317799 10.67046721
-0.00052716 0.00008191 0.00020256
-0.00138247 0.00516366 -0.00864969
-13.50566701 9.40051556 7.92853141
0.00038672 -0.00000706 0.00043591
-0.00058221 0.00093383 0.01048300
-13.82170479 4.22542892 -4.71927816
0.00054292 -0.00083361 -0.00042765
-0.00310640 -0.03263111 -0.01725359
-15.18809496 6.86727598 -4.81652326
0.00101987 0.00080163 -0.00030109
0.00462652 -0.02257054 0.00903483
-5.30119835 -16.17095570 21.22474656
0.00005402 -0.00017075 0.00067751
-0.01851193 -0.00613158 0.00096822
-3.16631566 -15.61768601 19.49330267
0.00028143 0.00038095 0.00042256
0.00869728 0.00087962 -0.01073045
-6.38086519 6.65742256 -6.31512549
-0.00062910 0.00039427 -0.00051590
0.00967936 0.01836344 -0.00936471
-7.00282596 9.39837265 -5.44176091
-0.00060535 -0.00003181 0.00074778
-0.00108495 0.00227790 -0.01126894
-20.50430836 31.02299303 -0.32658575
-0.00013991 0.00023428 0.00058209
0.00415499 -0.00686248 0.00872624
-18.09870659 30.76709365 1.32348730
0.00058758 0.00055234 -0.00056246
0.02710565 0.00304635 -0.00430009
9.30498027 2.77258621 6.83324783
0.00054719 0.00098747 0.00060056
0.00531228 0.00854755 0.01158321
9.90918568 5.27655115 8.41348294
0.00023889 0.00135495 0.00018661
-0.01299552 0.01575973 -0.00114770
8.62472881 17.54460954 -12.79182859
0.00018841 0.00098251 0.00077172
-0.01906756 -0.01128016 0.01002883
8.74487710 15.30851797 -11.16756259
0.00001980 -0.00010849 -0.00013521
0.00381941 -0.01301544 0.00759674
12.87315495 5.96686194 -0.09228855
-0.00016613 -0.00147503 0.00075032
0.02642309 -0.03118091 -0.01251212
14.27524091 3.33756808 0.48761851
0.00027297 0.00004845 0.00105333
-0.01318861 0.01864327 -0.00809912
-4.23677735 11.32007015 -2.37767425
-0.00134203 0.00128158 -0.00095493
0.02954948 -0.00317307 -0.02944150
-5.52358419 10.51101753 -0.16623020
-0.00012909 -0.00019546 -0.00001627
-0.00888428 0.00995592 -0.00003318
7.99667099 13.59119570 4.75172977
-0.00006824 -0.00102792 -0.00008966
-0.00910914 0.07025351 -0.00736131
9.83694726 11.41433143 4.46029122
0.00051139 0.00028322 0.00019310
0.00639481 -0.00344372 -0.00324863
18.45573285 -11.77678537 -9.34858485
0.00013658 0.00056494 0.00040244
-0.02464944 0.00024884 0.02332504
20.61453648 -12.79856285 -10.62989426
0.00034496 -0.00099984 -0.00046371
0.01714321 -0.02004148 -0.00327104
19.03830163 -5.50178213 -2.03050134
-0.00085626 0.00089929 0.00058864
0.00344367 0.00572061 -0.02611960
18.16366168 -7.63146506 -0.24260312
-0.00005696 0.00059570 -0.00031933
0.00450975 0.01458249 -0.00357659
15.36000707 9.44306501 9.44847588
-0.00016842 -0.00044122 -0.00046820
0.00345730 -0.01944226 0.00450778
16.33733344 7.39709802 11.36821694
0.00058681 0.00028202 -0.00042465
-0.00347207 0.00472718 -0.00483985
2.65282787 -15.82613648 16.87606708
0.00015773 -0.00065318 0.00060586
0.00048157 0.01747370 0.01029162
3.67125547 -12.70058975 17.08355755
0.00048604 0.00036007 0.00005760
-0.01337505 -0.02071499 0.00255982
-4.03661558 -4.12748311 -13.47788558
0.00040012 -0.00007885 -0.00026236
-0.00268898 -0.00724531 0.00128346
-1.59046957 -2.30546765 -13.26109822
-0.00054473 0.00001859 -0.00030719
-0.01617662 -0.00394354 -0.00094968
16.10401090 -7.69878087 -15.11082796
0.00006786 0.00047045 0.00049890
-0.00166487 0.00501247 0.00164787
17.09591885 -7.84761330 -12.22076455
0.00009954 0.00013811 0.00007518
-0.01157509 0.01538916 -0.01290741
9.53605237 -4.64700888 4.84467194
0.00087870 0.00011579 -0.00002293
0.00790190 0.00377636 0.00944595
12.30186579 -4.79885136 5.75416254
0.00027837 -0.00055736 -0.00067356
0.01588297 0.00029458 -0.01022703
-21.01137252 -0.26869699 24.67848787
-0.00082681 0.00022838 -0.00077480
0.00387378 0.00732067 0.00741131
-19.95278377 2.24136482 26.00284765
0.00010795 0.00030550 -0.00102814
-0.01286477 0.01049748 0.00417094
24.88908679 -2.40192977 -7.37173838
-0.00076570 -0.00051391 0.00042046
0.00598219 -0.00861015 0.00071368
24.16049552 -0.26350161 -9.35570324
-0.00017545 -0.00041920 0.00069287
0.00111043 -0.01012140 0.00391610
12.61561085 -9.99581525 -9.75847663
0.00057710 -0.00078720 0.00004764
-0.01695128 0.00623107 -0.01216800
12.34061656 -8.48470277 -12.25029423
0.00059190 0.00042437 0.00031328
-0.00828523 -0.01462000 0.00849389
-9.40660747 -9.16707396 18.13090263
0.00036851 0.00034149 0.00033983
-0.00346236 -0.00818470 -0.01711580
-11.33441883 -10.56026520 16.54723759
-0.00121355 0.00089235 -0.00041587
-0.02762127 -0.00930418 0.00658304
8.62634223 1.04346466 -29.74382771
-0.00025118 -0.00167392 -0.00076844
-0.00821452 0.00122733 0.00161164
5.71243636 1.08189785 -28.75239259
-0.00039150 -0.00017593 -0.00019096
-0.01174179 0.00585597 -0.00902347
12.50735388 19.62712396 12.44236149
0.00016209 -0.00006041 -0.00017918
-0.00492700 -0.03752874 0.00180917
14.23802139 17.63171921 11.26249154
-0.00021190 -0.00036047 -0.00051920
-0.02787418 -0.00600290 0.01044835
27.55717213 7.58344274 -11.89353984
-0.00032679 0.00024879 0.00058870
0.00466648 0.00014744 0.01216609
26.07563946 7.81535734 -9.29204511
-0.00026610 -0.00093638 -0.00011272
0.00582311 0.00124324 0.00881043
-7.28524672 4.60379724 6.70203776
0.00029202 0.00001062 0.00001355
0.00069503 -0.00720429 -0.00549743
-9.07385769 8.77008390 3.85726859
0.00023825 -0.00003437 0.00004620
-0.00038969 -0.00044576 -0.00378479
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07781966
0.30239485
402.92597182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.3372380802 (a.u.)
total exchange computation time: 3.1581358910 s
-154.0229915255
-931.38604783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.236 s
total exchange = -52.3371879839 (a.u.)
total exchange computation time: 3.1530909538 s
-154.0243189133
Anderson extrapolation: theta=1.3555201975 (1.3555201975)
-931.38628862
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.3370415469 (a.u.)
total exchange computation time: 3.1543807983 s
-154.0267691477
Anderson extrapolation: theta=0.0533684890 (0.0533684890)
-931.38643411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.3369671807 (a.u.)
total exchange computation time: 3.1530840397 s
-154.0274924923
Anderson extrapolation: theta=1.9606780209 (1.9606780209)
-931.38643990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.236 s
total exchange = -52.3367957795 (a.u.)
total exchange computation time: 3.1555120945 s
-154.0290812423
Anderson extrapolation: theta=0.2246136868 (0.2246136868)
-931.38644627
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.242 s
total exchange = -52.3367473728 (a.u.)
total exchange computation time: 3.1527299881 s
-154.0294760908
Anderson extrapolation: theta=1.8245812752 (1.8245812752)
-931.38644752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.3366726596 (a.u.)
total exchange computation time: 3.1544270515 s
-154.0300413005
Anderson extrapolation: theta=0.2761980807 (0.2761980807)
-931.38644903
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.3366665569 (a.u.)
total exchange computation time: 3.1559629440 s
-154.0300446173
Anderson extrapolation: theta=1.3018038230 (1.3018038230)
-931.38644937
72.224469 156.931890 -250.248696
548.550924 1079.094749 -415.942406
620.775393 1236.026640 -666.191102
1535.231099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.241 s
total exchange = -52.3366696301 (a.u.)
total exchange computation time: 3.1525630951 s
678.26685337
-1082.59499136
89.87102571
-389.87314507
-174.71952264
77.62192151
551.60419304
0.00000000
-931.38644961
3.86349047 -31.53342681 -3.81772447
-0.00034460 0.00034925 0.00004568
0.00102315 -0.00706296 -0.00744054
-11.12979232 2.25964379 -9.32926032
-0.00001084 0.00005932 -0.00002461
0.01665471 0.00910432 0.02101358
-37.13869924 1.86387606 3.86099599
-0.00008807 -0.00002217 0.00022508
-0.00312006 -0.03894411 0.00298488
-7.75488440 -3.55809305 3.10454115
-0.00001607 -0.00009639 -0.00004654
0.00917524 -0.00266219 -0.01810486
2.16261494 -0.16637118 9.69750565
0.00011501 0.00032951 0.00011651
-0.01964996 0.02658861 -0.00683410
-31.19131020 1.42363116 3.51486489
-0.00021155 -0.00002975 0.00002539
-0.02145242 0.01949404 -0.01611340
16.41280420 13.35768736 -17.74655440
-0.00007842 -0.00020376 0.00011275
-0.02093322 -0.03713672 -0.01223171
-3.20820302 4.98523207 4.48146499
-0.00001734 -0.00005092 -0.00061610
-0.01378345 0.00850720 -0.01271856
4.85026913 17.36278136 -6.45224499
-0.00005196 0.00012974 -0.00009278
0.03546191 -0.00891010 -0.05176619
8.23490972 7.00813116 -21.08130732
0.00031322 0.00057364 -0.00019420
-0.02331147 -0.00142653 -0.00843322
19.47898766 18.86366231 -5.38486303
0.00063937 0.00019235 0.00007573
-0.00412257 -0.00337090 0.01499865
2.08920765 14.74584797 -21.49310443
-0.00010430 -0.00015646 0.00016573
-0.00146205 -0.00815583 0.00433645
10.47933678 -5.51793870 0.18284407
-0.00004399 -0.00012349 -0.00028616
0.02799517 0.01097979 0.02236600
-16.61346180 -5.49668269 4.94268675
0.00005321 -0.00012682 -0.00018375
-0.02122927 -0.00687535 -0.01014742
-14.28649723 -1.54405830 20.73235158
0.00005192 0.00010330 0.00000497
-0.00668532 0.02633357 -0.02342481
1.04679253 3.62587045 -4.70190528
-0.00020225 0.00021079 -0.00021773
-0.00413572 -0.00683873 -0.01070336
21.00738221 -9.65864547 -3.99023867
-0.00024733 0.00010982 -0.00005237
0.02514809 -0.00101515 -0.02443071
2.84862460 -10.80941141 6.84526717
-0.00002072 -0.00006717 -0.00020291
0.03156868 -0.02383382 -0.00167831
-1.70977992 -1.62646259 -19.59448919
-0.00007152 -0.00027089 0.00030260
-0.03221405 -0.05252863 -0.02868922
-0.68035687 4.95277213 -11.26742121
0.00004411 0.00026165 0.00000440
0.04386220 0.01088868 0.01682208
-4.91655277 15.48155694 13.44496456
0.00006352 0.00006064 0.00007426
0.02496695 0.00713006 0.04397886
-4.95797533 3.03279243 -7.64040737
0.00001636 0.00000636 -0.00057827
-0.01881486 -0.00627384 -0.00075268
-8.69208166 0.19709702 -4.56032214
0.00007282 -0.00021078 0.00018525
0.01997859 -0.02572595 -0.02008133
2.91332429 27.89137664 5.76409439
0.00007168 -0.00006963 -0.00009944
-0.01228130 0.03049720 -0.04308280
8.73790197 -9.74462679 -2.07694470
0.00004523 0.00049337 -0.00002558
-0.00580109 -0.01242277 -0.00584232
-6.49982471 1.29420900 9.71488296
0.00041411 0.00001246 0.00030839
0.03768390 0.02316086 -0.00218879
19.73777970 9.69045368 6.23533055
0.00017857 -0.00023392 -0.00039080
-0.00618931 0.00120096 0.00999820
-3.36643541 0.69683605 -24.28886009
-0.00018156 -0.00008818 -0.00017055
-0.06139813 0.01789777 -0.03977352
-13.59034479 8.43138649 9.50736126
-0.00007994 0.00007209 -0.00005397
-0.00272950 -0.00776119 -0.00870077
-13.89936915 5.79729330 -3.93984829
0.00000111 0.00000047 0.00003125
0.00187986 0.04279212 0.00869964
-3.79591584 -15.15852843 21.11744055
-0.00004731 0.00015483 0.00007459
0.01222496 0.00684238 0.01039087
-6.15584630 8.46116024 -6.77212621
-0.00031677 0.00015541 0.00044536
-0.00483896 -0.01921933 0.01127785
-19.77933761 30.19922943 1.14835646
-0.00013339 0.00009005 0.00018445
-0.02032210 0.00588630 -0.00402795
10.38327149 3.54841301 8.15620934
-0.00023805 -0.00010086 -0.00012209
0.00469260 -0.00562073 -0.00635180
7.47969178 16.49223924 -11.69556081
-0.00005946 0.00002373 -0.00013398
0.01038543 0.02095665 -0.01462908
13.98687482 4.61408687 -0.88394683
0.00012486 0.00002739 0.00020696
-0.01492406 -0.00108218 0.02895137
-5.51769168 11.94417668 -1.32806807
-0.00019921 -0.00031079 0.00005136
-0.02952867 -0.00031224 0.03335552
8.17197775 11.88799011 4.99040630
0.00027012 -0.00069572 -0.00011076
-0.00150679 -0.07188129 0.01227769
19.82897652 -11.21409785 -10.33577955
0.00002097 0.00028418 -0.00032715
0.01749877 0.00610881 -0.01352963
19.07123052 -5.94642781 -0.30541596
0.00033242 0.00013084 0.00015068
-0.00513897 -0.01521119 0.03679811
16.03651347 7.71476559 9.58466278
-0.00016378 -0.00013692 0.00009191
-0.00611087 0.01323674 0.00004894
3.93171322 -14.47704305 16.58649386
-0.00027975 -0.00029664 0.00015837
0.01065191 0.01280810 -0.01628995
-3.39449014 -2.42439632 -13.71197821
-0.00057153 -0.00029790 -0.00031935
0.02272043 0.01787923 -0.00315918
16.08375580 -6.81656378 -13.41967905
0.00030571 0.00056411 0.00036387
0.01103617 -0.01426870 0.01281766
10.65704474 -4.30610092 6.28033727
-0.00026151 -0.00010601 0.00045687
-0.02257818 -0.00238671 0.00591135
-19.55025292 0.85140817 24.92770112
0.00011573 -0.00004304 0.00034637
0.00396917 -0.01829724 -0.01304883
24.06618504 -0.78765918 -7.56887374
0.00006036 0.00006089 0.00013329
-0.01371056 0.01910255 0.00215062
11.48459638 -9.82594243 -11.25189171
-0.00014730 0.00010805 -0.00001389
0.03375965 0.01237625 0.01171734
-9.69277267 -9.92084346 16.45935501
-0.00003933 -0.00002523 0.00044329
0.03115579 0.01546688 0.01006315
7.35330903 0.37517442 -28.53429789
0.00005707 -0.00033612 -0.00016943
0.01519522 -0.00858466 0.00929428
12.59604942 17.73449926 12.22443101
-0.00011697 0.00002953 0.00004574
0.03263691 0.04593208 -0.01165428
25.92541109 7.33263463 -11.05010135
0.00001895 0.00012360 -0.00023415
-0.00459399 0.00348945 -0.01261102
3.82350746 -29.97198266 -4.75081390
-0.00114034 0.00027076 -0.00032012
0.01060341 0.01235821 -0.01542368
3.46735063 -30.83565595 -2.16765956
-0.00001224 -0.00001614 -0.00008776
-0.00477711 -0.00080890 0.01801886
-9.92662074 3.48525936 -8.60249761
0.00001462 -0.00084982 -0.00088357
-0.01483322 -0.01665082 -0.00613819
-11.38026800 2.76223759 -11.08057878
0.00014214 -0.00052591 0.00056617
-0.00806022 0.00291376 -0.01216576
-37.30196489 3.52904162 3.26692227
0.00086908 -0.00010307 -0.00045207
-0.00455698 0.02933760 -0.01268340
-38.82299088 1.01913613 3.41907942
0.00027081 0.00148089 0.00046280
0.02139926 0.01279081 0.00874713
-8.70106811 -3.79680969 1.54234986
-0.00001997 0.00014614 -0.00000132
-0.01234609 -0.00418448 0.00549044
-6.37945237 -4.69398722 2.73695083
0.00003244 0.00010196 -0.00067944
0.00641560 -0.00300031 0.00802979
3.48189434 -1.17375108 9.10203654
0.00056738 -0.00062154 -0.00036952
0.02719680 -0.02506148 -0.01006630
2.27929963 1.30865050 8.59716142
-0.00059537 -0.00097302 -0.00058134
-0.00774701 -0.00127022 0.00829375
-30.91590767 -0.36246888 3.59520592
0.00003304 -0.00095432 0.00051704
0.01310472 -0.01734983 0.00431559
-32.97563204 1.49290971 2.99024349
0.00038167 0.00040713 0.00022542
0.00946181 0.00317394 0.00947069
15.06523902 11.90804794 -18.18587298
0.00153912 -0.00023862 -0.00082002
0.03752451 0.03528582 0.01366001
17.90141043 12.39378699 -17.15356375
0.00003505 -0.00023449 -0.00017146
-0.01248046 -0.00262144 -0.00801422
-2.96210469 6.65147502 5.31654182
-0.00020431 0.00000253 0.00031177
0.00323080 -0.01224183 -0.01401724
-3.63756685 5.41889301 2.71547478
-0.00071854 0.00009795 0.00043655
0.01147566 -0.00175968 0.02016896
5.58222643 16.60476055 -8.11447734
0.00088915 0.00041510 0.00027936
-0.01989224 0.01868081 0.03535348
6.06769670 18.78134491 -6.29881506
-0.00099851 -0.00075205 0.00033036
-0.01041200 -0.01015059 0.00786283
8.44789312 6.63267255 -22.89658617
0.00041065 -0.00042172 -0.00016879
0.00549931 -0.00242788 0.00886781
9.74454958 7.52549178 -20.22188325
-0.00083731 -0.00040715 0.00105704
0.01118155 0.00348911 -0.00182611
19.33422912 20.06717075 -3.97127582
0.00048354 -0.00119269 -0.00030904
-0.00339489 0.00037395 -0.00950887
20.58303526 19.71824846 -6.53566633
-0.00008043 -0.00104950 -0.00005558
0.00948590 0.00535858 -0.00613387
1.83508219 13.10631580 -20.74503396
0.00081342 -0.00051030 -0.00045438
0.00643012 -0.00410028 0.00679836
0.33204508 15.21359918 -21.76720859
-0.00036864 0.00098529 -0.00052264
-0.00672997 0.01164108 -0.00765244
9.83921561 -6.99493192 -0.56444833
0.00005318 0.00005137 0.00056401
-0.00872889 -0.02991279 -0.01363071
9.38373660 -4.24767538 -0.44913552
-0.00016064 -0.00041192 0.00029856
-0.01441153 0.02371420 -0.00743746
-17.11206546 -6.26584093 6.54793462
0.00069971 -0.00058106 -0.00032523
0.00047030 0.00459959 -0.01040420
-18.01969945 -5.77187031 3.70648347
0.00029684 0.00130906 0.00004281
0.02038641 0.00158608 0.02006589
-14.48759929 -0.64139028 19.04502614
0.00075006 -0.00124887 0.00027548
0.00192348 -0.01450415 0.02935430
-14.93044316 -0.40948230 22.03673325
0.00007122 -0.00024157 -0.00061944
0.00326927 -0.00518018 -0.00803595
-0.25385620 3.20827386 -3.47408174
-0.00047526 -0.00132472 0.00023517
0.00374892 -0.00081536 -0.00442314
0.98675387 2.25631228 -5.97459610
-0.00082986 -0.00012514 0.00004507
0.00197949 0.00545437 0.01683063
20.46277880 -9.08394267 -5.62481143
-0.00038533 0.00031566 -0.00072303
-0.02009824 0.00047724 -0.00482914
22.81153657 -9.78434193 -4.50987103
0.00112734 0.00087308 -0.00067707
-0.01240471 -0.00444510 0.02364309
4.58011448 -11.30716761 6.04960277
-0.00042655 0.00011331 0.00113359
-0.04526511 0.01325634 0.03013611
2.60180655 -11.73569949 8.48169071
-0.00055162 0.00019950 -0.00018898
0.01588158 0.01495828 -0.02625776
-2.61956640 -3.26797996 -20.22347582
-0.00052653 0.00072037 -0.00015295
0.03201107 0.03777999 0.00465230
-2.48669821 -1.45780824 -17.98335016
-0.00042639 -0.00002661 0.00003654
-0.00450538 0.00950279 0.01936014
1.17163729 5.50521813 -11.02003079
0.00024309 0.00017624 0.00016101
-0.03674798 -0.00600168 -0.01751580
-0.89868855 4.13545215 -9.65156123
0.00118904 0.00090148 -0.00102562
-0.01560326 -0.00263539 0.00026265
-3.83821505 16.20177793 14.89549881
-0.00051708 0.00028493 -0.00040322
-0.03277251 -0.00848400 -0.03337067
-6.65908610 15.64306056 14.00704648
-0.00003430 0.00061110 -0.00054785
0.00678466 0.00327976 0.00292343
-5.78587973 1.88223259 -6.44303525
0.00064776 0.00069453 0.00002119
0.00731197 0.00518589 -0.00995681
-5.70476195 2.54528879 -9.29472491
-0.00009519 -0.00044524 0.00004548
0.01200292 -0.00005434 0.00812496
-9.63847202 -1.21029576 -3.96692973
0.00054716 -0.00023725 -0.00068823
-0.00311673 -0.02097765 -0.00282196
-9.34961422 1.42290089 -3.51796923
-0.00008450 -0.00084487 0.00061684
-0.01605957 0.05003580 0.02945974
2.30375039 29.25046152 4.50340147
0.00035034 0.00021889 -0.00026726
0.01210205 -0.04262593 0.02113557
2.89551865 28.85741549 7.26691714
-0.00062226 -0.00089238 0.00015078
-0.00125140 0.00056029 0.02054669
7.29876281 -10.14113445 -3.18684063
-0.00054533 -0.00105604 -0.00074792
0.00483434 0.00906527 0.01476224
8.71200814 -10.99396103 -0.74041389
0.00007327 -0.00013169 0.00003576
-0.00191725 -0.00226159 -0.00209391
-5.19369707 -0.04799615 9.35511105
-0.00048395 0.00031593 0.00088829
-0.02413072 -0.00168359 0.00298852
-8.17153375 0.84061463 10.09966330
-0.00008314 0.00049249 0.00001192
-0.01619492 -0.02272810 0.00086127
19.43480156 9.32041160 8.04618259
-0.00027541 0.00016062 -0.00061523
0.00637643 0.00964303 -0.01774758
21.43623370 10.31127832 5.94898382
-0.00160273 -0.00031640 0.00007189
0.00495817 -0.00234573 0.01010677
-2.83763494 0.22952322 -22.69282790
0.00012783 0.00032178 0.00093186
0.01856654 -0.01321893 0.05342361
-5.28184468 0.87546771 -24.10364362
0.00048036 -0.00053384 -0.00026381
0.04654872 -0.00597496 -0.01038680
-12.53775714 9.38456488 10.67324063
-0.00053180 0.00010323 0.00016838
-0.00089251 0.00527018 -0.00808497
-13.49988400 9.40043834 7.93539132
0.00038403 -0.00000005 0.00047260
-0.00073795 0.00249584 0.00747533
-13.81365624 4.21192485 -4.72622154
0.00052854 -0.00094814 -0.00049018
-0.00393219 -0.02342995 -0.01335796
-15.17265518 6.87860879 -4.82076271
0.00103738 0.00070789 -0.00026524
0.00394377 -0.02331592 0.00851045
-5.30095530 -16.17370479 21.23493887
-0.00001874 -0.00019421 0.00067983
-0.01710685 -0.00535253 0.00016934
-3.16182765 -15.61194477 19.49931231
0.00031741 0.00038313 0.00037535
0.00891337 0.00018553 -0.01238184
-6.39000504 6.66389926 -6.32315102
-0.00059021 0.00046376 -0.00055186
0.00935756 0.01565511 -0.00823641
-7.01193949 9.39796532 -5.43088949
-0.00060817 -0.00002467 0.00069913
-0.00029599 0.00121526 -0.01254776
-20.50627972 31.02629687 -0.31758700
-0.00012579 0.00020783 0.00061399
0.00276020 -0.00608151 0.00688962
-18.08906235 30.77547211 1.31491868
0.00068487 0.00055961 -0.00058054
0.02051852 0.00050980 -0.00455375
9.31335087 2.78766015 6.84261115
0.00055816 0.00101482 0.00063507
0.00005890 0.00483991 0.00531055
9.91237085 5.29735838 8.41624699
0.00019100 0.00139921 0.00017926
-0.01044923 0.00590584 -0.00245330
8.62697060 17.55900158 -12.77994548
0.00010949 0.00093436 0.00081318
-0.01956017 -0.01228901 0.01026711
8.74529113 15.30649173 -11.16935799
0.00003377 -0.00015976 -0.00010558
0.00302147 -0.01208028 0.00690772
12.87147274 5.94378104 -0.08141722
-0.00006289 -0.00159409 0.00070043
0.02411027 -0.02710005 -0.01190525
14.27893129 3.33886608 0.50317021
0.00021921 0.00012701 0.00101399
-0.01312392 0.01981476 -0.01115673
-4.25600231 11.33919662 -2.39290043
-0.00121232 0.00126266 -0.00108175
0.03394238 -0.00608780 -0.03263664
-5.52579279 10.50839068 -0.16647527
-0.00016323 -0.00015678 -0.00001743
-0.00782485 0.00897703 -0.00053629
7.99536824 13.57792962 4.75015931
-0.00010692 -0.00073697 -0.00012016
-0.00982240 0.07216873 -0.00756850
9.84481408 11.41847425 4.46308813
0.00053904 0.00026797 0.00017954
0.00713881 -0.00402101 -0.00338985
18.45702616 -11.76830358 -9.34183344
0.00004040 0.00056673 0.00049496
-0.02243098 0.00062331 0.02196098
20.62023626 -12.81417462 -10.63695020
0.00040382 -0.00106190 -0.00047255
0.01166708 -0.01033390 -0.00105689
19.02556324 -5.48811746 -2.02247210
-0.00084224 0.00092362 0.00047915
0.00341942 0.00618931 -0.02747882
18.16294554 -7.62208266 -0.24750273
-0.00003923 0.00065203 -0.00033278
0.00416661 0.01298768 -0.00300325
15.35758667 9.43585089 9.44159101
-0.00015553 -0.00051716 -0.00044948
0.00285648 -0.01772976 0.00465562
16.34602913 7.40147317 11.36169890
0.00057360 0.00030034 -0.00043772
-0.00299428 0.00423826 -0.00155846
2.65520864 -15.83539875 16.88547034
0.00015873 -0.00058086 0.00064826
0.00000770 0.01792809 0.01046337
3.67813620 -12.69582349 17.08449999
0.00043067 0.00026873 0.00006689
-0.01373000 -0.02399393 0.00198920
-4.03069616 -4.12888790 -13.48178171
0.00038599 -0.00011493 -0.00025620
-0.00422835 -0.01041650 0.00173433
-1.59913620 -2.30530959 -13.26573524
-0.00061083 0.00000282 -0.00031142
-0.01617843 -0.00377533 -0.00111793
16.10497776 -7.69157049 -15.10329390
0.00006060 0.00049067 0.00050516
-0.00188622 0.00488327 0.00141188
17.09705718 -7.84507005 -12.22003234
0.00005317 0.00020062 0.00002369
-0.01111994 0.01520855 -0.01229965
9.54947506 -4.64515639 4.84461745
0.00090480 0.00013068 0.00001226
0.00487208 0.00351577 0.00778066
12.30652810 -4.80720269 5.74374582
0.00032929 -0.00055102 -0.00070853
0.00904132 0.00280885 -0.00689478
-21.02365600 -0.26504699 24.66709304
-0.00080290 0.00026437 -0.00074245
0.00783341 0.01029699 0.00842143
-19.95155870 2.24626896 25.98755343
0.00005287 0.00035541 -0.00100589
-0.01410047 0.01393387 0.00671659
24.87778462 -2.40990227 -7.36540957
-0.00074222 -0.00054625 0.00042260
0.00550903 -0.00722139 0.00033265
24.15789780 -0.27009983 -9.34519019
-0.00017026 -0.00045786 0.00070031
0.00142846 -0.00880297 -0.00027178
12.62374787 -10.00743234 -9.75813484
0.00050351 -0.00076106 -0.00000684
-0.01907102 0.00656704 -0.01450002
12.34924117 -8.47878526 -12.24533478
0.00055539 0.00036153 0.00034977
-0.00958535 -0.01614181 0.00937011
-9.40118597 -9.16220239 18.13547559
0.00035236 0.00030670 0.00026917
-0.00444301 -0.00884601 -0.01747397
-11.35346847 -10.54716500 16.54120121
-0.00131203 0.00086099 -0.00038839
-0.02058810 -0.00604721 0.00686834
8.62232287 1.01839346 -29.75530487
-0.00028357 -0.00166676 -0.00076308
-0.00764446 0.00227934 0.00101058
5.70620410 1.07943841 -28.75553350
-0.00043145 -0.00015545 -0.00022719
-0.00781450 0.00416826 -0.00871285
12.50963418 19.62506787 12.43972922
0.00014187 -0.00021146 -0.00017144
-0.00496764 -0.03641137 0.00198134
14.23398878 17.62612821 11.25502374
-0.00032733 -0.00038445 -0.00047559
-0.02863335 -0.00573352 0.01089676
27.55241334 7.58717916 -11.88433660
-0.00030033 0.00025008 0.00063324
0.00828206 0.00048026 0.00964091
26.07182642 7.80134979 -9.29346586
-0.00024242 -0.00093038 -0.00007383
0.00576611 0.00169451 0.01022536
-7.28086459 4.60393728 6.70222630
0.00029223 0.00000804 0.00001158
0.00051746 -0.00726352 -0.00553689
-9.07028468 8.76956754 3.85795499
0.00023817 -0.00003451 0.00004534
-0.00028342 -0.00076897 -0.00362478
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07793323
0.30851639
411.08261901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.3469546059 (a.u.)
total exchange computation time: 3.1563029289 s
-154.0660563138
-931.39181923
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.3469099426 (a.u.)
total exchange computation time: 3.1536829472 s
-154.0672958268
Anderson extrapolation: theta=1.3515194275 (1.3515194275)
-931.39204430
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.3467757297 (a.u.)
total exchange computation time: 3.1535739899 s
-154.0696035342
Anderson extrapolation: theta=0.0518322866 (0.0518322866)
-931.39217915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.3467075744 (a.u.)
total exchange computation time: 3.1520109177 s
-154.0702852192
Anderson extrapolation: theta=1.9158505680 (1.9158505680)
-931.39218422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.3465564622 (a.u.)
total exchange computation time: 3.1534759998 s
-154.0717334562
Anderson extrapolation: theta=0.2212135372 (0.2212135372)
-931.39218960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.151 s
total exchange = -52.3465172145 (a.u.)
total exchange computation time: 3.1532430649 s
-154.0720692284
Anderson extrapolation: theta=1.8669904822 (1.8669904822)
-931.39219065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.3464599938 (a.u.)
total exchange computation time: 3.1533679962 s
-154.0725274316
Anderson extrapolation: theta=0.2847130346 (0.2847130346)
-931.39219196
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.3464599412 (a.u.)
total exchange computation time: 3.1579759121 s
-154.0724956692
Anderson extrapolation: theta=1.3012596275 (1.3012596275)
-931.39219227
72.270312 156.921575 -250.203256
548.518321 1079.088043 -415.954605
620.788633 1236.009618 -666.157860
1535.208324
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.3464714592 (a.u.)
total exchange computation time: 3.1553330421 s
678.41112490
-1082.89648247
89.85466090
-389.67081556
-174.74420880
77.78712217
551.60419304
0.00000000
-931.39219249
3.85832544 -31.52821529 -3.81706792
-0.00034397 0.00034562 0.00004102
0.00142547 -0.00705230 -0.01070745
-11.12989074 2.26056873 -9.32954840
-0.00000308 0.00006260 -0.00001348
0.01352188 0.00363836 0.02225013
-37.14003232 1.86339322 3.86438365
-0.00008875 -0.00004113 0.00022669
0.00046053 -0.03476698 0.00327777
-7.75509012 -3.55954912 3.10377316
-0.00001127 -0.00009782 -0.00005580
0.00950212 -0.00290551 -0.01789514
2.16426435 -0.16132593 9.69922690
0.00010684 0.00034051 0.00011286
-0.01211862 0.01619088 -0.00733777
-31.19456626 1.42326017 3.51518363
-0.00022106 -0.00002163 0.00001757
-0.01552403 0.01206879 -0.01431662
16.41154715 13.35448777 -17.74491040
-0.00008846 -0.00022250 0.00010655
-0.01811112 -0.03575502 -0.01187369
-3.20851624 4.98450101 4.47217449
-0.00002408 -0.00004638 -0.00062084
-0.01244943 0.00917042 -0.00572942
4.84962652 17.36469306 -6.45383635
-0.00003500 0.00012363 -0.00011942
0.03047186 -0.01483540 -0.05185048
8.23951811 7.01673030 -21.08425284
0.00029995 0.00057245 -0.00019932
-0.02828863 -0.00319965 -0.01147039
19.48856229 18.86653451 -5.38366928
0.00063612 0.00018821 0.00008312
-0.00851997 -0.01272073 0.01375196
2.08763747 14.74346967 -21.49060179
-0.00010583 -0.00015999 0.00016753
-0.00446405 -0.00559202 0.00269063
10.47878489 -5.51974865 0.17863788
-0.00002878 -0.00011730 -0.00027402
0.03116016 0.01308622 0.02486756
-16.61274555 -5.49861146 4.93989130
0.00004321 -0.00013000 -0.00018859
-0.01763977 -0.00549276 -0.00867203
-14.28574422 -1.54240720 20.73233580
0.00004917 0.00011524 -0.00000680
-0.00400948 0.02010521 -0.02237074
1.04374286 3.62900589 -4.70521249
-0.00020570 0.00020646 -0.00022221
-0.00927957 -0.00997904 -0.00673822
21.00376925 -9.65700209 -3.99111839
-0.00023296 0.00010972 -0.00006675
0.03074045 0.00064145 -0.03151257
2.84843551 -10.81051086 6.84221710
-0.00000545 -0.00007906 -0.00020322
0.02783468 -0.02240419 0.00046830
-1.71097702 -1.63072851 -19.59006079
-0.00008793 -0.00029726 0.00028788
-0.03157544 -0.05004321 -0.02857023
-0.67952602 4.95673890 -11.26729039
0.00006730 0.00026855 0.00001083
0.04632158 0.01592725 0.00818438
-4.91550369 15.48249402 13.44624814
0.00007594 0.00006406 0.00009627
0.02335690 0.00618725 0.04159130
-4.95780247 3.03286366 -7.64908430
0.00000722 0.00000367 -0.00057840
-0.01671918 -0.00419803 0.00023717
-8.69091222 0.19383612 -4.55762092
0.00008364 -0.00022313 0.00017454
0.02209349 -0.02228942 -0.02154015
2.91435204 27.89044978 5.76243666
0.00006537 -0.00005412 -0.00012205
-0.01222468 0.02982214 -0.04485101
8.73855809 -9.73727415 -2.07735090
0.00004053 0.00048573 -0.00002915
-0.01249155 -0.01728249 -0.00805614
-6.49346770 1.29448521 9.71950037
0.00043181 0.00002507 0.00030767
0.03113133 0.02587187 -0.00060293
19.74043434 9.68694955 6.22950716
0.00017217 -0.00023440 -0.00038538
-0.01867327 -0.00306949 0.01105978
-3.36939557 0.69558238 -24.29157175
-0.00021111 -0.00007994 -0.00018842
-0.05352607 0.01414247 -0.02971909
-13.59155442 8.43243795 9.50651808
-0.00008135 0.00006762 -0.00005779
-0.00276252 -0.00962298 -0.00613613
-13.89934520 5.79746535 -3.93934602
0.00000255 0.00001997 0.00003486
0.00371018 0.03306797 0.00534031
-3.79657837 -15.15617957 21.11859950
-0.00004152 0.00015823 0.00008044
0.01029506 0.00635765 0.01235543
-6.16061655 8.46341719 -6.76540231
-0.00031933 0.00014662 0.00045110
-0.00510335 -0.01493153 0.01102860
-19.78141684 30.20060289 1.15110765
-0.00014163 0.00009350 0.00018298
-0.01174158 0.00754678 -0.00168415
10.37971880 3.54687837 8.15435342
-0.00023469 -0.00010026 -0.00012314
0.00839373 0.00798808 0.00227018
7.47884000 16.49267606 -11.69762697
-0.00005383 0.00003433 -0.00014124
0.01149634 0.02026476 -0.01358906
13.98869020 4.61449357 -0.88073077
0.00011787 0.00002538 0.00022226
-0.01227283 -0.00672034 0.03053002
-5.52079370 11.93951360 -1.32716901
-0.00021535 -0.00030999 0.00006908
-0.03322928 0.00342427 0.03554401
8.17602368 11.87727699 4.98879220
0.00026929 -0.00073205 -0.00010449
-0.00170873 -0.06938016 0.01211994
19.82935858 -11.20981158 -10.34073898
0.00003050 0.00028471 -0.00033418
0.01955965 -0.00404871 -0.01379068
19.07619699 -5.94452383 -0.30301387
0.00032987 0.00012336 0.00016943
-0.00476310 -0.01388580 0.03611404
16.03403316 7.71276290 9.58604167
-0.00016685 -0.00013056 0.00009104
-0.00580183 0.01148098 -0.00344693
3.92755807 -14.48144328 16.58880664
-0.00027406 -0.00028936 0.00015003
0.01146497 0.01552291 -0.01616587
-3.40297543 -2.42879589 -13.71678069
-0.00055948 -0.00028799 -0.00032106
0.02413426 0.02067228 -0.00346537
16.08838397 -6.80815712 -13.41417156
0.00031115 0.00055677 0.00037016
0.01013411 -0.01428886 0.01163539
10.65303504 -4.30770024 6.28721316
-0.00027046 -0.00010779 0.00045948
-0.01223068 -0.00455651 0.00421571
-19.54850166 0.85069205 24.93284627
0.00011696 -0.00005388 0.00033890
0.00080790 -0.02387576 -0.01596280
24.06703756 -0.78667221 -7.56686608
0.00005345 0.00006990 0.00013562
-0.01314740 0.01594616 0.00688791
11.48251715 -9.82427399 -11.25205493
-0.00012923 0.00011463 -0.00000755
0.03650886 0.01320772 0.01296295
-9.69324239 -9.92116220 16.46604319
-0.00002506 -0.00001803 0.00044831
0.02434082 0.01251438 0.00946422
7.35422368 0.37009954 -28.53680346
0.00006364 -0.00034025 -0.00016452
0.01034829 -0.00747847 0.00980929
12.59442082 17.73511933 12.22507218
-0.00010010 0.00005256 0.00003963
0.03295921 0.04365369 -0.01211463
25.92567763 7.33450213 -11.05366230
0.00001563 0.00012523 -0.00024020
-0.00832052 0.00285740 -0.01090425
3.80672725 -29.96754261 -4.75608836
-0.00109638 0.00031908 -0.00038080
0.01091429 0.01129637 -0.01427836
3.46702063 -30.83592280 -2.16842380
-0.00003256 -0.00001710 -0.00001014
-0.00517028 0.00033823 0.01997484
-9.92685599 3.47200187 -8.61593931
-0.00003743 -0.00090903 -0.00090236
-0.01064448 -0.01233367 -0.00305795
-11.37838287 2.75443822 -11.07245901
0.00010735 -0.00051151 0.00050734
-0.00897204 0.00413648 -0.01663465
-37.28906840 3.52839453 3.25975262
0.00085152 0.00001455 -0.00050279
-0.00403635 0.02823768 -0.01214504
-38.81827300 1.04174145 3.42628946
0.00035061 0.00152675 0.00049632
0.01766411 0.00965567 0.00766230
-8.70174602 -3.79474576 1.54249830
-0.00007153 0.00012911 0.00002016
-0.01289148 -0.00415238 0.00502607
-6.37876913 -4.69254982 2.72700525
0.00005863 0.00009001 -0.00064598
0.00640122 -0.00284520 0.00834958
3.49123848 -1.18384219 9.09618525
0.00066207 -0.00071122 -0.00040351
0.01915240 -0.01883486 -0.00657073
2.27013175 1.29401628 8.58869540
-0.00062590 -0.00096984 -0.00055364
-0.00719774 0.00282470 0.00526808
-30.91501048 -0.37731539 3.60309381
0.00008305 -0.00100904 0.00053336
0.01137612 -0.00943294 0.00367066
-32.96961700 1.49911387 2.99391496
0.00041210 0.00041910 0.00026172
0.00543001 0.00268898 0.00830062
15.08947574 11.90554998 -18.19775463
0.00168591 -0.00009726 -0.00076443
0.03432995 0.03390652 0.01355009
17.90155380 12.39018936 -17.15638125
-0.00001532 -0.00024393 -0.00020388
-0.01217866 -0.00200124 -0.00785507
-2.96507040 6.65113784 5.32078880
-0.00019148 -0.00005200 0.00025109
0.00305309 -0.01444941 -0.01568363
-3.64799330 5.42030833 2.72264105
-0.00067382 0.00009381 0.00050791
0.01041742 -0.00026630 0.01476203
5.59495412 16.61155952 -8.10920362
0.00080701 0.00048973 0.00042151
-0.02031396 0.01785205 0.03423215
6.05239999 18.76975308 -6.29361876
-0.00103039 -0.00078001 0.00036486
-0.00519330 -0.00353337 0.00902865
8.45422146 6.62627234 -22.89884632
0.00043429 -0.00043049 -0.00013024
0.00607035 -0.00186464 0.01000162
9.73233256 7.51949137 -20.20608360
-0.00078251 -0.00039035 0.00105263
0.01564603 0.00473556 -0.00033143
19.34137820 20.04929179 -3.97620285
0.00046970 -0.00117995 -0.00033750
-0.00337939 0.00586310 -0.00441887
20.58211951 19.70267018 -6.53668794
-0.00003298 -0.00101930 -0.00008891
0.01374151 0.00942500 -0.01018314
1.84748056 13.09853572 -20.75164139
0.00083636 -0.00052610 -0.00042665
0.00479678 -0.00363416 0.00677715
0.32630927 15.22873525 -21.77528270
-0.00038689 0.00102644 -0.00055061
-0.00220312 0.00850419 -0.00603793
9.83974577 -6.99507796 -0.55640583
0.00001431 -0.00007775 0.00050494
-0.01029455 -0.03329392 -0.01528551
9.38088545 -4.25312754 -0.44488495
-0.00022244 -0.00031201 0.00026654
-0.01584060 0.02519357 -0.00823779
-17.10155533 -6.27441588 6.54273740
0.00070000 -0.00056274 -0.00036682
-0.00033112 0.00436720 -0.00995779
-18.01462210 -5.75218588 3.70774043
0.00037439 0.00131297 0.00012109
0.01757362 0.00033187 0.01825673
-14.47628944 -0.66056780 19.05005790
0.00075588 -0.00130195 0.00038717
0.00092370 -0.01147601 0.02531475
-14.92927473 -0.41326464 22.02719544
0.00008079 -0.00025626 -0.00064569
0.00141947 -0.00200736 -0.00481373
-0.26087019 3.18837807 -3.47068976
-0.00045150 -0.00132309 0.00021028
0.00788127 0.00161180 -0.00775925
0.97436665 2.25460236 -5.97340430
-0.00081999 -0.00010149 0.00011265
0.00285134 0.00612316 0.01624903
20.45638297 -9.07919307 -5.63580485
-0.00046324 0.00031367 -0.00073252
-0.01803683 -0.00145209 0.00018554
22.82806652 -9.77138197 -4.51930262
0.00106054 0.00085530 -0.00057601
-0.02029382 -0.00425533 0.02583003
4.57232913 -11.30506179 6.06753009
-0.00060368 0.00016490 0.00125147
-0.04143920 0.01200100 0.02756733
2.59401895 -11.73224865 8.47805138
-0.00048691 0.00026011 -0.00029531
0.01579121 0.01471320 -0.02579155
-2.62648340 -3.25601667 -20.22562756
-0.00039708 0.00086993 -0.00013453
0.03135200 0.03542811 0.00436623
-2.49323215 -1.45791616 -17.98220886
-0.00044465 0.00001229 0.00011608
-0.00443281 0.00953771 0.01957515
1.17415753 5.50767777 -11.01815235
0.00009261 0.00015230 0.00008712
-0.03691337 -0.00571681 -0.01865706
-0.88133107 4.14889357 -9.66693741
0.00112049 0.00087999 -0.00100492
-0.01795146 -0.00788451 0.00987020
-3.84697554 16.20579187 14.88842790
-0.00064667 0.00025199 -0.00053437
-0.03066372 -0.00763803 -0.03082518
-6.65939264 15.65232752 13.99891835
-0.00000749 0.00062437 -0.00053562
0.00633803 0.00321576 0.00306358
-5.77593924 1.89280944 -6.44302256
0.00067535 0.00071283 -0.00001679
0.00619435 0.00377247 -0.00863329
-5.70582202 2.53860847 -9.29379367
-0.00004793 -0.00044653 0.00007446
0.01113311 -0.00057658 0.00605817
-9.63036016 -1.21449732 -3.97733966
0.00053015 -0.00032965 -0.00069742
-0.00520701 -0.02425461 -0.00167529
-9.35137386 1.41176107 -3.50781386
-0.00015009 -0.00064088 0.00073760
-0.01604445 0.04982037 0.02965050
2.30937632 29.25243872 4.50004027
0.00040007 0.00004444 -0.00017954
0.01224151 -0.04277046 0.02180375
2.88614640 28.84404700 7.26980840
-0.00062772 -0.00088812 0.00023693
-0.00142086 0.00152244 0.02162570
7.29073093 -10.15669723 -3.19760703
-0.00051337 -0.00101413 -0.00067846
0.01081329 0.01144754 0.01923605
8.71304838 -10.99600563 -0.73994171
0.00006635 -0.00013635 0.00002280
-0.00146910 -0.00002072 -0.00424728
-5.20169575 -0.04330879 9.36852704
-0.00057593 0.00030214 0.00089808
-0.02089460 -0.00506715 0.00180159
-8.17327709 0.84730545 10.09986849
-0.00014339 0.00040128 0.00001388
-0.01329635 -0.02191704 0.00009845
19.43086575 9.32311645 8.03641024
-0.00024995 0.00019941 -0.00068441
0.00608870 0.00934331 -0.01611619
21.41234476 10.30646041 5.95037181
-0.00155677 -0.00031673 0.00010826
0.01753705 0.00218488 0.00769862
-2.83514852 0.23394484 -22.67721297
0.00019680 0.00027428 0.00112918
0.01519559 -0.01003037 0.04316717
-5.27321287 0.86727696 -24.10791908
0.00066143 -0.00055674 -0.00030540
0.04208401 -0.00523326 -0.00997247
-12.54576156 9.38627475 10.67551855
-0.00053441 0.00012494 0.00013666
-0.00038401 0.00536054 -0.00744189
-13.49414621 9.40051407 7.94270937
0.00038070 0.00001358 0.00049647
-0.00088837 0.00417459 0.00421006
-13.80584867 4.19698483 -4.73398358
0.00051064 -0.00102402 -0.00053617
-0.00482749 -0.01371537 -0.00915347
-15.15697370 6.88851265 -4.82448058
0.00105157 0.00061187 -0.00023195
0.00300659 -0.02368686 0.00778691
-5.30176067 -16.17678192 21.24514156
-0.00008473 -0.00021382 0.00067871
-0.01519447 -0.00425000 -0.00071908
-3.15679338 -15.60619216 19.50456311
0.00035385 0.00038267 0.00032237
0.00892333 -0.00040826 -0.01355067
-6.39857141 6.67133540 -6.33168132
-0.00055287 0.00052100 -0.00058296
0.00891887 0.01236456 -0.00698453
-7.02107116 9.39763246 -5.42078708
-0.00060801 -0.00002166 0.00064566
0.00037583 0.00026163 -0.01362496
-20.50808192 31.02922800 -0.30816601
-0.00011763 0.00018495 0.00063780
0.00123311 -0.00512003 0.00476695
-18.07816061 30.78388182 1.30607098
0.00075431 0.00055616 -0.00059956
0.01347660 -0.00219547 -0.00475540
9.32172508 2.80303071 6.85229992
0.00054655 0.00102630 0.00064246
-0.00574064 0.00077914 -0.00169377
9.91491563 5.31852756 8.41886069
0.00015307 0.00140411 0.00016674
-0.00811946 -0.00350722 -0.00367395
8.62801362 17.57264048 -12.76743314
0.00002928 0.00088268 0.00085501
-0.01970548 -0.01301308 0.01020748
8.74589033 15.30372513 -11.17073004
0.00004390 -0.00020657 -0.00007905
0.00193469 -0.01083069 0.00607858
12.87126817 5.91903928 -0.07127552
0.00002947 -0.00169498 0.00065391
0.02110229 -0.02228903 -0.01086721
14.28181735 3.34137844 0.51803816
0.00016610 0.00020927 0.00096305
-0.01287566 0.02044886 -0.01377981
-4.27314708 11.35794998 -2.41012678
-0.00106796 0.00123344 -0.00121895
0.03672696 -0.00821605 -0.03452420
-5.52848095 10.50631399 -0.16675320
-0.00019290 -0.00012264 -0.00002046
-0.00670354 0.00773862 -0.00094361
7.99346352 13.56908648 4.74812499
-0.00014765 -0.00044581 -0.00015048
-0.01011828 0.07035587 -0.00727473
9.85311841 11.42237064 4.46567730
0.00056926 0.00025064 0.00016554
0.00765512 -0.00446354 -0.00346135
18.45694477 -11.75978358 -9.33373612
-0.00004482 0.00057056 0.00058045
-0.01928401 0.00125298 0.01988788
20.62665108 -12.83041972 -10.64407090
0.00044057 -0.00108491 -0.00047242
0.00632304 -0.00093110 0.00112052
19.01303441 -5.47407346 -2.01612692
-0.00082826 0.00094918 0.00036683
0.00342486 0.00631950 -0.02750284
18.16248475 -7.61190430 -0.25258639
-0.00002323 0.00070119 -0.00034385
0.00366716 0.01107772 -0.00241736
15.35534132 9.42755017 9.43499147
-0.00014550 -0.00058501 -0.00043035
0.00205279 -0.01548205 0.00470831
16.35454131 7.40610807 11.35508535
0.00056249 0.00031661 -0.00043721
-0.00243993 0.00372882 0.00181018
2.65758988 -15.84356228 16.89551487
0.00015772 -0.00050702 0.00069128
-0.00050362 0.01821790 0.01059765
3.68417546 -12.69252773 17.08556434
0.00037381 0.00016521 0.00007415
-0.01410310 -0.02668401 0.00156315
-4.02503588 -4.13093108 -13.48557156
0.00036589 -0.00016329 -0.00024831
-0.00561236 -0.01325443 0.00212952
-1.60879434 -2.30538290 -13.27044078
-0.00067586 -0.00001213 -0.00031606
-0.01565622 -0.00354704 -0.00115340
16.10582902 -7.68406082 -15.09567331
0.00005247 0.00051031 0.00051046
-0.00209563 0.00472979 0.00118391
17.09751401 -7.84159473 -12.22005393
0.00000937 0.00026161 -0.00002450
-0.01032165 0.01464868 -0.01128805
9.56319634 -4.64308843 4.84503980
0.00091824 0.00014444 0.00004007
0.00170887 0.00321953 0.00583100
12.31174452 -4.81538188 5.73290655
0.00035234 -0.00053438 -0.00072971
0.00224128 0.00533297 -0.00347168
-21.03545940 -0.26076592 24.65621433
-0.00076339 0.00031184 -0.00070607
0.01150624 0.01293896 0.00938846
-19.95119779 2.25202706 25.97267085
-0.00000682 0.00041832 -0.00097428
-0.01511439 0.01686417 0.00875661
24.86682008 -2.41831734 -7.35906037
-0.00072104 -0.00057211 0.00042312
0.00485831 -0.00543429 -0.00008039
24.15538762 -0.27723754 -9.33469380
-0.00016383 -0.00049096 0.00069014
0.00171936 -0.00739937 -0.00470860
12.63071610 -10.01864696 -9.75868170
0.00042210 -0.00073364 -0.00006967
-0.02077818 0.00685595 -0.01625589
12.35727834 -8.47385702 -12.23980107
0.00051403 0.00029330 0.00038916
-0.01065968 -0.01725721 0.00991076
-9.39603676 -9.15787295 18.13897764
0.00033247 0.00026981 0.00019822
-0.00529341 -0.00921385 -0.01725684
-11.37377987 -10.53443540 16.53558576
-0.00138009 0.00084317 -0.00035968
-0.01272537 -0.00267845 0.00718556
8.61783500 0.99346196 -29.76672009
-0.00031350 -0.00165539 -0.00076032
-0.00700466 0.00328566 0.00034178
5.69949292 1.07723442 -28.75920839
-0.00045486 -0.00014214 -0.00026206
-0.00364740 0.00234577 -0.00835237
12.51161004 19.62078027 12.43721839
0.00012143 -0.00035595 -0.00016278
-0.00503844 -0.03431763 0.00225491
14.22820134 17.62018583 11.24822376
-0.00044455 -0.00040734 -0.00043092
-0.02874376 -0.00547386 0.01097295
27.54816213 7.59094502 -11.87454251
-0.00025899 0.00025278 0.00066744
0.01195531 0.00084298 0.00709917
26.06836677 7.78744608 -9.29425994
-0.00021916 -0.00092283 -0.00002999
0.00562091 0.00199922 0.01123224
-7.27647969 4.60403831 6.70238511
0.00029239 0.00000543 0.00000959
0.00033033 -0.00731058 -0.00557543
-9.06671266 8.76904851 3.85862878
0.00023811 -0.00003474 0.00004452
-0.00019880 -0.00114687 -0.00346184
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07798840
0.31420409
418.66120018
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3577250858 (a.u.)
total exchange computation time: 3.1571619511 s
-154.1107845676
-931.39640010
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3576491020 (a.u.)
total exchange computation time: 3.1566331387 s
-154.1121824128
Anderson extrapolation: theta=1.3489323220 (1.3489323220)
-931.39661259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3574609624 (a.u.)
total exchange computation time: 3.1541059017 s
-154.1147827660
Anderson extrapolation: theta=0.0509866453 (0.0509866453)
-931.39673935
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3573811544 (a.u.)
total exchange computation time: 3.1542448997 s
-154.1155371052
Anderson extrapolation: theta=1.8836467084 (1.8836467084)
-931.39674398
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3572061662 (a.u.)
total exchange computation time: 3.1536509991 s
-154.1171301636
Anderson extrapolation: theta=0.2154236829 (0.2154236829)
-931.39674874
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3571595856 (a.u.)
total exchange computation time: 3.1540420055 s
-154.1175118779
Anderson extrapolation: theta=1.8728503706 (1.8728503706)
-931.39674964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.061 s
total exchange = -52.3570875071 (a.u.)
total exchange computation time: 3.1538178921 s
-154.1180666901
Anderson extrapolation: theta=0.2864778314 (0.2864778314)
-931.39675076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3570828417 (a.u.)
total exchange computation time: 3.1578969955 s
-154.1180669607
Anderson extrapolation: theta=1.3168512780 (1.3168512780)
-931.39675103
72.317572 156.916149 -250.152991
548.484323 1079.082593 -415.964916
620.801895 1235.998742 -666.117908
1535.187595
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0633720930
ExchangeOperator: pair fraction: ispin=0: 0.1608869659
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3570888032 (a.u.)
total exchange computation time: 3.1547729969 s
678.56940048
-1083.22897905
89.83782866
-389.44682954
-174.77108297
77.96971388
551.60419304
0.00000000
-931.39675121
3.85317140 -31.52305819 -3.81649397
-0.00034318 0.00034215 0.00003473
0.00165420 -0.00643073 -0.01373456
-11.12988484 2.26152174 -9.32966484
0.00000288 0.00006296 -0.00000190
0.00966104 -0.00222582 0.02278850
-37.14136185 1.86264217 3.86779660
-0.00008743 -0.00005753 0.00022837
0.00468765 -0.02901983 0.00326261
-7.75522252 -3.56102761 3.10286710
-0.00000629 -0.00009939 -0.00006494
0.00987645 -0.00319046 -0.01765552
2.16582027 -0.15615577 9.70089154
0.00010262 0.00034607 0.00010898
-0.00431387 0.00539780 -0.00775862
-31.19794208 1.42298229 3.51539192
-0.00022741 -0.00001732 0.00001072
-0.00914663 0.00466869 -0.01231658
16.41015037 13.35101234 -17.74335799
-0.00009696 -0.00024034 0.00010058
-0.01492675 -0.03362491 -0.01133560
-3.20892551 4.98384070 4.46283978
-0.00003009 -0.00004164 -0.00062188
-0.01090440 0.00924532 0.00168799
4.84921898 17.36649031 -6.45582773
-0.00002083 0.00011442 -0.00014595
0.02466417 -0.02096656 -0.05131081
8.24390827 7.02530476 -21.08728686
0.00028428 0.00057041 -0.00020590
-0.03266890 -0.00476521 -0.01411100
19.49807119 18.86930856 -5.38236943
0.00063072 0.00017929 0.00008971
-0.01246809 -0.02195507 0.01189079
2.08603284 14.74104822 -21.48807840
-0.00010888 -0.00016223 0.00016851
-0.00742090 -0.00312207 0.00108969
10.47847339 -5.52145764 0.17462353
-0.00001224 -0.00011014 -0.00026084
0.03315423 0.01475587 0.02637225
-16.61216538 -5.50058260 4.93702894
0.00003523 -0.00013244 -0.00019260
-0.01341552 -0.00400396 -0.00691628
-14.28502213 -1.54060099 20.73214744
0.00004784 0.00012383 -0.00001785
-0.00117528 0.01328886 -0.02058119
1.04062160 3.63206434 -4.70857169
-0.00021169 0.00020060 -0.00022466
-0.01403774 -0.01282331 -0.00279224
21.00039344 -9.65535377 -3.99224121
-0.00021602 0.00011050 -0.00008464
0.03511021 0.00237837 -0.03806031
2.84846115 -10.81178316 6.83917064
0.00000763 -0.00009004 -0.00020246
0.02300607 -0.02030375 0.00248407
-1.71241771 -1.63538049 -19.58585281
-0.00010395 -0.00032211 0.00027349
-0.03072370 -0.04659424 -0.02739752
-0.67833780 4.96082855 -11.26709644
0.00009151 0.00027799 0.00001273
0.04779645 0.02079145 -0.00079864
-4.91427442 15.48347883 13.44785259
0.00008738 0.00006690 0.00011683
0.02111309 0.00483966 0.03837224
-4.95775858 3.03290251 -7.65775940
-0.00000076 0.00000212 -0.00057802
-0.01433409 -0.00183164 0.00123604
-8.68957234 0.19040327 -4.55508588
0.00009521 -0.00023335 0.00016355
0.02289225 -0.01746851 -0.02120858
2.91528548 27.88975298 5.76043292
0.00005919 -0.00003904 -0.00014521
-0.01183825 0.02884398 -0.04521055
8.73911784 -9.73005483 -2.07781926
0.00003260 0.00047564 -0.00003375
-0.01834302 -0.02195686 -0.00980669
-6.48687053 1.29496101 9.72411313
0.00044583 0.00003910 0.00030782
0.02340261 0.02870286 0.00115904
19.74294493 9.68342174 6.22376909
0.00015925 -0.00023713 -0.00037954
-0.03156562 -0.00755622 0.01167212
-3.37276867 0.69443781 -24.29451270
-0.00023614 -0.00007372 -0.00020083
-0.04383162 0.01006605 -0.01855441
-13.59278536 8.43341518 9.50562757
-0.00008278 0.00006219 -0.00006027
-0.00279943 -0.01152400 -0.00349568
-13.89929263 5.79789251 -3.93880254
0.00000501 0.00003438 0.00003677
0.00584767 0.02295919 0.00210881
-3.79716147 -15.15378166 21.11985378
-0.00003677 0.00016126 0.00008718
0.00819656 0.00545652 0.01385819
-6.16542617 8.46555896 -6.75859333
-0.00032196 0.00014015 0.00045662
-0.00511933 -0.01023697 0.01044854
-19.78358664 30.20203458 1.15384585
-0.00014542 0.00009779 0.00018275
-0.00296133 0.00910817 0.00077908
10.37623086 3.54540535 8.15251501
-0.00022925 -0.00009278 -0.00011965
0.01274662 0.02107571 0.01131571
7.47807691 16.49326922 -11.69979797
-0.00004766 0.00004443 -0.00014786
0.01248833 0.01901859 -0.01215083
13.99041089 4.61484841 -0.87727918
0.00011237 0.00002044 0.00023813
-0.00911136 -0.01250460 0.03119001
-5.52415206 11.93487693 -1.32599574
-0.00023293 -0.00030742 0.00008747
-0.03514329 0.00655720 0.03599527
8.18005642 11.86602862 4.98727161
0.00026831 -0.00076622 -0.00009844
-0.00210007 -0.06347969 0.01140658
19.82989154 -11.20555654 -10.34580480
0.00004081 0.00028012 -0.00034114
0.02052219 -0.01378544 -0.01330682
19.08112671 -5.94272697 -0.30033318
0.00032755 0.00011673 0.00018748
-0.00428092 -0.01190330 0.03407414
16.03150808 7.71084878 9.58739398
-0.00016972 -0.00012524 0.00008840
-0.00536460 0.00921477 -0.00682090
3.92349137 -14.48572375 16.59099470
-0.00026795 -0.00028081 0.00014171
0.01231557 0.01772753 -0.01618613
-3.41127453 -2.43303598 -13.72160991
-0.00054689 -0.00027678 -0.00032294
0.02480778 0.02290878 -0.00385585
16.09309032 -6.79986069 -13.40857431
0.00031605 0.00054952 0.00037574
0.00890856 -0.01391058 0.01008236
10.64893098 -4.30933471 6.29412157
-0.00027416 -0.00011067 0.00046126
-0.00214518 -0.00662195 0.00271517
-19.54674417 0.84979173 24.93786826
0.00011659 -0.00006732 0.00033012
-0.00223952 -0.02837280 -0.01820710
24.06778864 -0.78556222 -7.56480528
0.00004688 0.00007720 0.00014041
-0.01241706 0.01244601 0.01176304
11.48071959 -9.82250366 -11.25211814
-0.00010992 0.00012154 -0.00000063
0.03854889 0.01366996 0.01395415
-9.69352433 -9.92138440 16.47280440
-0.00001443 -0.00001241 0.00045287
0.01699174 0.00932893 0.00825390
7.35521817 0.36496697 -28.53923335
0.00006768 -0.00034378 -0.00015934
0.00538818 -0.00626909 0.01031862
12.59304648 17.73607618 12.22561989
-0.00008322 0.00007418 0.00003335
0.03266459 0.04040595 -0.01229413
25.92587998 7.33639168 -11.05730738
0.00001044 0.00012658 -0.00024528
-0.01187572 0.00236215 -0.00885081
3.79061593 -29.96241024 -4.76223790
-0.00105115 0.00036213 -0.00043600
0.01122856 0.00977848 -0.01274203
3.46637375 -30.83616892 -2.16796387
-0.00005425 -0.00001366 0.00007424
-0.00544787 0.00134296 0.02133113
-9.92774360 3.45798849 -8.62956842
-0.00007104 -0.00094949 -0.00090798
-0.00580815 -0.00747276 0.00030459
-11.37704760 2.74689235 -11.06535870
0.00006897 -0.00049239 0.00043103
-0.00981545 0.00522146 -0.02071879
-37.27641928 3.52947802 3.25183866
0.00083631 0.00012504 -0.00055032
-0.00341018 0.02585087 -0.01112117
-38.81247255 1.06493852 3.43396910
0.00041365 0.00155929 0.00052510
0.01319134 0.00627276 0.00642205
-8.70321400 -3.79293631 1.54295476
-0.00012517 0.00011213 0.00003978
-0.01336505 -0.00416151 0.00457618
-6.37769358 -4.69128679 2.71757137
0.00008449 0.00007890 -0.00061130
0.00625976 -0.00259627 0.00862741
3.50175639 -1.19508761 9.08993127
0.00072335 -0.00077470 -0.00042295
0.01084511 -0.01223998 -0.00294567
2.26052274 1.27955517 8.58055224
-0.00065418 -0.00094989 -0.00053872
-0.00664752 0.00694174 0.00203323
-30.91341609 -0.39274001 3.61120666
0.00012593 -0.00103151 0.00054687
0.00961067 -0.00156828 0.00294232
-32.96326917 1.50548282 2.99809513
0.00042523 0.00042911 0.00029301
0.00099941 0.00220847 0.00701499
15.11581640 11.90513002 -18.20880583
0.00181836 0.00003715 -0.00070994
0.03050364 0.03189016 0.01312368
17.90095080 12.38646908 -17.15968016
-0.00006386 -0.00025104 -0.00023539
-0.01158251 -0.00147684 -0.00757001
-2.96784899 6.64991511 5.32407459
-0.00017923 -0.00011468 0.00018416
0.00294371 -0.01623456 -0.01708062
-3.65778130 5.42170733 2.73071204
-0.00063398 0.00009610 0.00055574
0.00908434 0.00138646 0.00865352
5.60643685 16.61945256 -8.10183195
0.00072388 0.00056020 0.00055755
-0.02038179 0.01664147 0.03235830
6.03678500 18.75794470 -6.28786913
-0.00104002 -0.00077973 0.00040445
0.00047876 0.00367066 0.01034966
8.46092182 6.61975787 -22.90049350
0.00046018 -0.00043705 -0.00008749
0.00660456 -0.00134634 0.01092619
9.72107442 7.51378119 -20.19030426
-0.00071065 -0.00036896 0.00105406
0.01952718 0.00573688 0.00102988
19.34832016 20.03177216 -3.98140069
0.00045583 -0.00114419 -0.00034426
-0.00341176 0.01164164 0.00110939
20.58204594 19.68766953 -6.53833363
0.00003123 -0.00097312 -0.00013824
0.01768997 0.01317676 -0.01396384
1.86017291 13.09053293 -20.75783347
0.00085262 -0.00053963 -0.00039918
0.00316291 -0.00299103 0.00667120
0.32043844 15.24439251 -21.78372686
-0.00038677 0.00105457 -0.00057191
0.00226133 0.00526371 -0.00439075
9.83964500 -6.99726446 -0.54930012
-0.00002992 -0.00021798 0.00044042
-0.01135727 -0.03534952 -0.01629569
9.37706349 -4.25703569 -0.44113925
-0.00028871 -0.00020782 0.00023202
-0.01660179 0.02580604 -0.00866167
-17.09106548 -6.28272318 6.53692991
0.00069690 -0.00054558 -0.00040608
-0.00118411 0.00403178 -0.00925875
-18.00846773 -5.73248111 3.71011627
0.00043929 0.00131174 0.00019091
0.01419357 -0.00093330 0.01591974
-14.46492297 -0.68044864 19.05664110
0.00075753 -0.00134187 0.00048042
-0.00011336 -0.00806908 0.02033408
-14.92801931 -0.41717001 22.01736261
0.00008255 -0.00025758 -0.00065831
-0.00055900 0.00136220 -0.00136558
-0.26740117 3.16858106 -3.46777332
-0.00041166 -0.00131157 0.00017250
0.01161950 0.00403108 -0.01073377
0.96215418 2.25326770 -5.97121667
-0.00080659 -0.00007568 0.00017718
0.00370759 0.00650732 0.01534142
20.44888173 -9.07453247 -5.64678689
-0.00053252 0.00030389 -0.00072175
-0.01587581 -0.00333816 0.00508439
22.84335274 -9.75868280 -4.52715118
0.00096396 0.00083803 -0.00046688
-0.02698474 -0.00419999 0.02758557
4.56200412 -11.30222047 6.08714690
-0.00076258 0.00021071 0.00135769
-0.03634303 0.01042142 0.02442830
2.58719913 -11.72789610 8.47283139
-0.00042298 0.00031904 -0.00039831
0.01550436 0.01412989 -0.02462530
-2.63147895 -3.24188212 -20.22751172
-0.00027148 0.00100822 -0.00011782
0.03013159 0.03226871 0.00381528
-2.50003775 -1.45743955 -17.97986787
-0.00046196 0.00005106 0.00019497
-0.00404210 0.00944162 0.01904152
1.17441549 5.50978704 -11.01741733
-0.00005694 0.00012993 0.00000897
-0.03629181 -0.00523332 -0.01959531
-0.86507377 4.16185178 -9.68170869
0.00104272 0.00083693 -0.00094461
-0.02012064 -0.01319299 0.01965038
-3.85761528 16.20933770 14.87946783
-0.00076617 0.00022344 -0.00065337
-0.02782916 -0.00633941 -0.02742615
-6.65931075 15.66179156 13.99097797
0.00001733 0.00063734 -0.00052288
0.00581055 0.00313529 0.00317237
-5.76561912 1.90361750 -6.44353898
0.00069811 0.00072498 -0.00004882
0.00494460 0.00217350 -0.00704535
-5.70619980 2.53189280 -9.29249114
-0.00000453 -0.00045014 0.00009449
0.01010925 -0.00119049 0.00374484
-9.62256741 -1.22018534 -3.98785226
0.00050532 -0.00043402 -0.00070228
-0.00694775 -0.02683405 -0.00070635
-9.35411680 1.40367456 -3.49584131
-0.00021359 -0.00044200 0.00085582
-0.01503912 0.04753086 0.02822206
2.31575248 29.25179469 4.49801533
0.00044971 -0.00012903 -0.00009034
0.01205921 -0.04214204 0.02186161
2.87668708 28.83077182 7.27402502
-0.00063388 -0.00088090 0.00032591
-0.00159444 0.00201454 0.02193279
7.28336175 -10.17155844 -3.20719452
-0.00045869 -0.00096270 -0.00059202
0.01595179 0.01372971 0.02307706
8.71399859 -10.99805151 -0.73972983
0.00006127 -0.00013207 0.00000139
-0.00101917 0.00211523 -0.00623554
-5.21097498 -0.03893197 9.38205345
-0.00065377 0.00027379 0.00090286
-0.01720979 -0.00880912 0.00054024
-8.17583532 0.85265306 10.10007972
-0.00019028 0.00031391 0.00001246
-0.00965831 -0.02084947 -0.00079355
19.42730309 9.32639392 8.02565020
-0.00022595 0.00023673 -0.00074585
0.00565988 0.00892404 -0.01395678
21.38953059 10.30177640 5.95223163
-0.00145826 -0.00029783 0.00013459
0.03068384 0.00706900 0.00518924
-2.83173083 0.23775174 -22.65895250
0.00025112 0.00024023 0.00128206
0.01139209 -0.00664070 0.03166693
-5.26200190 0.85876548 -24.11280571
0.00082144 -0.00057641 -0.00034498
0.03624525 -0.00439611 -0.00940036
-12.55378951 9.38831316 10.67734038
-0.00053493 0.00014698 0.00010770
0.00012927 0.00542735 -0.00673557
-13.48846287 9.40084565 7.95028543
0.00037678 0.00003419 0.00050668
-0.00103349 0.00591444 0.00078784
-13.79833697 4.18120426 -4.74230661
0.00048902 -0.00106023 -0.00056487
-0.00575469 -0.00401013 -0.00489520
-15.14110796 6.89696484 -4.82772123
0.00106145 0.00051512 -0.00020202
0.00182748 -0.02367383 0.00686634
-5.30349725 -16.18011951 21.25530018
-0.00014206 -0.00022838 0.00067379
-0.01286607 -0.00287664 -0.00168951
-3.15121222 -15.60046458 19.50898344
0.00038985 0.00038003 0.00026573
0.00870201 -0.00088343 -0.01417714
-6.40659118 6.67952932 -6.34063968
-0.00051755 0.00056373 -0.00060875
0.00837044 0.00855222 -0.00563977
-7.03017979 9.39731564 -5.41151968
-0.00060538 -0.00002226 0.00058827
0.00090945 -0.00055973 -0.01446577
-20.50980854 31.03184534 -0.29845287
-0.00011590 0.00016628 0.00065251
-0.00038618 -0.00401736 0.00243268
-18.06643294 30.79215698 1.29693184
0.00079477 0.00054158 -0.00061922
0.00632665 -0.00494201 -0.00486920
9.32974746 2.81844902 6.86188490
0.00051045 0.00102072 0.00062013
-0.01193359 -0.00350773 -0.00923850
9.91696281 5.33948179 8.42124922
0.00012409 0.00137209 0.00014950
-0.00606373 -0.01216855 -0.00476388
8.62784897 17.58548186 -12.75429523
-0.00005080 0.00082866 0.00089599
-0.01949526 -0.01342963 0.00985391
8.74660810 15.30029476 -11.17172956
0.00004910 -0.00024772 -0.00005614
0.00061059 -0.00931637 0.00513545
12.87235687 5.89293151 -0.06179982
0.00010812 -0.00177481 0.00061255
0.01739509 -0.01678487 -0.00938253
14.28391431 3.34514404 0.53206159
0.00011439 0.00029301 0.00090232
-0.01243725 0.02054314 -0.01594625
-4.28804100 11.37619982 -2.42946900
-0.00091599 0.00119727 -0.00136056
0.03766336 -0.00949051 -0.03479477
-5.53157994 10.50471157 -0.16708896
-0.00021791 -0.00009406 -0.00002493
-0.00553489 0.00625102 -0.00124577
7.99093868 13.56455518 4.74564484
-0.00018870 -0.00016930 -0.00017863
-0.00997329 0.06499833 -0.00650552
9.86189189 11.42599348 4.46805433
0.00060106 0.00023179 0.00015141
0.00790967 -0.00476575 -0.00345690
18.45568152 -11.75118680 -9.32441995
-0.00011566 0.00057738 0.00065624
-0.01539341 0.00208422 0.01721386
20.63345341 -12.84672189 -10.65112294
0.00045615 -0.00107084 -0.00046364
0.00130458 0.00782029 0.00317955
19.00071547 -5.45964217 -2.01146730
-0.00081412 0.00097451 0.00025710
0.00349786 0.00608253 -0.02621058
18.16224870 -7.60104702 -0.25781820
-0.00000957 0.00074197 -0.00035252
0.00301798 0.00888497 -0.00182929
15.35322179 9.41830062 9.42868048
-0.00013914 -0.00064266 -0.00041121
0.00105908 -0.01273978 0.00466357
16.36290396 7.41097150 11.34858274
0.00055377 0.00033081 -0.00042299
-0.00183100 0.00322257 0.00514865
2.65994026 -15.85060931 16.90620889
0.00015457 -0.00043231 0.00073478
-0.00103874 0.01835349 0.01069322
3.68935040 -12.69086733 17.08672450
0.00031540 0.00005201 0.00007998
-0.01448618 -0.02872579 0.00128957
-4.01971956 -4.13378657 -13.48923089
0.00034052 -0.00022229 -0.00023895
-0.00680617 -0.01562599 0.00244981
-1.61941199 -2.30567360 -13.27521699
-0.00073770 -0.00002603 -0.00032057
-0.01461256 -0.00325665 -0.00105393
16.10655185 -7.67626129 -15.08798016
0.00004350 0.00052928 0.00051483
-0.00229507 0.00455615 0.00095532
17.09733827 -7.83722165 -12.22076732
-0.00003050 0.00031955 -0.00006779
-0.00919584 0.01371000 -0.00990495
9.57702235 -4.64082315 4.84581952
0.00091865 0.00015696 0.00005949
-0.00150918 0.00290640 0.00367551
12.31709830 -4.82323423 5.72185451
0.00034830 -0.00050762 -0.00073694
-0.00421803 0.00776624 -0.00006579
-21.04655762 -0.25569187 24.64591100
-0.00070963 0.00036929 -0.00066589
0.01480620 0.01518624 0.01027916
-19.95176318 2.25881870 25.95832492
-0.00007008 0.00049179 -0.00093560
-0.01585130 0.01909756 0.01018147
24.85615329 -2.42706546 -7.35271610
-0.00070279 -0.00059005 0.00042190
0.00407860 -0.00334866 -0.00051468
24.15298281 -0.28482873 -9.32448598
-0.00015627 -0.00051825 0.00066160
0.00198098 -0.00595514 -0.00926376
12.63641092 -10.02944140 -9.76022482
0.00033461 -0.00070517 -0.00013847
-0.02204996 0.00707899 -0.01742337
12.36466221 -8.46998640 -12.23365996
0.00046878 0.00022137 0.00043006
-0.01149072 -0.01794924 0.01011130
-9.39121197 -9.15410820 18.14142209
0.00030940 0.00023202 0.00012931
-0.00599758 -0.00928340 -0.01647290
-11.39487116 -10.52186995 16.53041069
-0.00141522 0.00083896 -0.00032958
-0.00447144 0.00061869 0.00755106
8.61291785 0.96873183 -29.77811436
-0.00034070 -0.00164002 -0.00076037
-0.00631027 0.00423535 -0.00036932
5.69255821 1.07517420 -28.76339517
-0.00046113 -0.00013640 -0.00029538
0.00058008 0.00046507 -0.00795897
12.51327710 19.61438947 12.43484574
0.00010065 -0.00048987 -0.00015281
-0.00513566 -0.03123772 0.00262724
14.22065230 17.61390798 11.24209628
-0.00056091 -0.00042920 -0.00038670
-0.02821648 -0.00522761 0.01067261
27.54464362 7.59476254 -11.86431333
-0.00020279 0.00025699 0.00069139
0.01555323 0.00121910 0.00462441
26.06525160 7.77366490 -9.29436564
-0.00019667 -0.00091434 0.00001704
0.00538875 0.00215876 0.01178836
-7.27209300 4.60410010 6.70251399
0.00029247 0.00000280 0.00000759
0.00013709 -0.00734694 -0.00561107
-9.06314133 8.76852548 3.85929051
0.00023807 -0.00003505 0.00004373
-0.00013132 -0.00157622 -0.00330202
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07803451
0.31871670
424.67402283
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3693997136 (a.u.)
total exchange computation time: 3.0783970356 s
-154.1580526376
-931.39941532
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3692601902 (a.u.)
total exchange computation time: 3.0742459297 s
-154.1598361207
Anderson extrapolation: theta=1.3583851244 (1.3583851244)
-931.39962203
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3689704713 (a.u.)
total exchange computation time: 3.0755679607 s
-154.1630562764
Anderson extrapolation: theta=0.0545170549 (0.0545170549)
-931.39974685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3688743206 (a.u.)
total exchange computation time: 3.0745580196 s
-154.1639078323
Anderson extrapolation: theta=1.9559114836 (1.9559114836)
-931.39975183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3686609307 (a.u.)
total exchange computation time: 3.0755419731 s
-154.1657385392
Anderson extrapolation: theta=0.2220166317 (0.2220166317)
-931.39975721
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3686058347 (a.u.)
total exchange computation time: 3.0788941383 s
-154.1661667629
Anderson extrapolation: theta=1.8133175169 (1.8133175169)
-931.39975824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3685236372 (a.u.)
total exchange computation time: 3.0749142170 s
-154.1667639837
Anderson extrapolation: theta=0.2755060367 (0.2755060367)
-931.39975943
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3685189407 (a.u.)
total exchange computation time: 3.0754938126 s
-154.1667572777
Anderson extrapolation: theta=1.3080287443 (1.3080287443)
-931.39975969
72.365974 156.916735 -294.476714
548.448874 1079.079042 -415.973621
620.814848 1235.995776 -710.450335
1554.939328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.970 s
total exchange = -52.3685257960 (a.u.)
total exchange computation time: 3.0757730007 s
678.74013886
-1083.58859676
89.82022610
-389.20332935
-174.79967291
78.16806371
551.60419304
0.00000000
-931.39975986
3.84803012 -31.51795069 -3.81602598
-0.00034232 0.00033915 0.00002699
0.00168624 -0.00526033 -0.01637783
-11.12980441 2.26245758 -9.32960547
0.00000668 0.00006025 0.00000975
0.00513509 -0.00833597 0.02252017
-37.14265521 1.86166724 3.87123472
-0.00008376 -0.00007063 0.00022997
0.00959546 -0.02192733 0.00298017
-7.75527874 -3.56253071 3.10182484
-0.00000111 -0.00010111 -0.00007396
0.01027517 -0.00350353 -0.01740149
2.16734290 -0.15094397 9.70249632
0.00010238 0.00034609 0.00010494
0.00339624 -0.00531665 -0.00794155
-31.20138846 1.42274042 3.51550519
-0.00023040 -0.00001674 0.00000494
-0.00249967 -0.00241210 -0.01017131
16.40863845 13.34727750 -17.74189304
-0.00010371 -0.00025687 0.00009495
-0.01133188 -0.03064788 -0.01056477
-3.20941890 4.98325171 4.45351810
-0.00003525 -0.00003702 -0.00061904
-0.00917444 0.00872067 0.00935877
4.84900173 17.36812580 -6.45821495
-0.00000980 0.00010207 -0.00017204
0.01819844 -0.02709512 -0.05012626
8.24804640 7.03384245 -21.09042974
0.00026655 0.00056763 -0.00021369
-0.03625619 -0.00601942 -0.01620718
19.50748391 18.87191324 -5.38097786
0.00062345 0.00016571 0.00009516
-0.01580351 -0.03086297 0.00928840
2.08437097 14.73860269 -21.48554659
-0.00011341 -0.00016324 0.00016868
-0.01018178 -0.00080740 -0.00043340
10.47841767 -5.52305279 0.17081264
0.00000499 -0.00010226 -0.00024716
0.03386093 0.01587438 0.02682051
-16.61168871 -5.50258462 4.93411323
0.00002956 -0.00013410 -0.00019564
-0.00860937 -0.00244856 -0.00489869
-14.28430912 -1.53869227 20.73180030
0.00004798 0.00012880 -0.00002776
0.00174303 0.00602028 -0.01794283
1.03739204 3.63502386 -4.71195242
-0.00022001 0.00019336 -0.00022511
-0.01831498 -0.01532020 0.00103959
20.99728850 -9.65368710 -3.99365766
-0.00019715 0.00011217 -0.00010573
0.03828754 0.00412286 -0.04393279
2.84866427 -10.81321209 6.83614335
0.00001791 -0.00009977 -0.00020070
0.01698845 -0.01751344 0.00436551
-1.71409543 -1.64039194 -19.58185619
-0.00011946 -0.00034493 0.00025997
-0.02960091 -0.04213537 -0.02516462
-0.67678085 4.96507859 -11.26690864
0.00011620 0.00028982 0.00001004
0.04822748 0.02522978 -0.00964737
-4.91288228 15.48450098 13.44975306
0.00009749 0.00006892 0.00013552
0.01819892 0.00302357 0.03428708
-4.95782529 3.03292722 -7.66642496
-0.00000746 0.00000185 -0.00057713
-0.01171891 0.00077554 0.00223355
-8.68805585 0.18683565 -4.55271446
0.00010685 -0.00024083 0.00015317
0.02236785 -0.01163849 -0.01915945
2.91612760 27.88927870 5.75808039
0.00005328 -0.00002453 -0.00016818
-0.01114161 0.02756027 -0.04410453
8.73953608 -9.72300491 -2.07836327
0.00002189 0.00046322 -0.00003912
-0.02331682 -0.02633091 -0.01110562
-6.48009281 1.29565825 9.72873483
0.00045566 0.00005462 0.00030889
0.01480462 0.03164900 0.00302597
19.74521199 9.67983563 6.21812107
0.00013977 -0.00024217 -0.00037352
-0.04420253 -0.01202669 0.01171479
-3.37647991 0.69337089 -24.29759678
-0.00025579 -0.00006961 -0.00020743
-0.03254448 0.00591760 -0.00707622
-13.59403790 8.43430350 9.50471008
-0.00008423 0.00005578 -0.00006139
-0.00283389 -0.01338729 -0.00087575
-13.89919494 5.79849679 -3.93824281
0.00000863 0.00004360 0.00003711
0.00823211 0.01289937 -0.00079848
-3.79768134 -15.15134165 21.12121496
-0.00003310 0.00016374 0.00009457
0.00604808 0.00419122 0.01485660
-6.17027529 8.46762175 -6.75170374
-0.00032453 0.00013617 0.00046176
-0.00488118 -0.00525139 0.00955028
-19.78577930 30.20353652 1.15659007
-0.00014472 0.00010283 0.00018378
0.00567075 0.01050751 0.00325041
10.37284126 3.54409493 8.15076390
-0.00022146 -0.00007881 -0.00011148
0.01753503 0.03325336 0.02044574
7.47741016 16.49400911 -11.70206270
-0.00004103 0.00005376 -0.00015365
0.01329715 0.01726090 -0.01035644
13.99206130 4.61510679 -0.87358697
0.00010862 0.00001250 0.00025410
-0.00545998 -0.01837469 0.03091899
-5.52778155 11.93029085 -1.32454478
-0.00025101 -0.00030340 0.00010561
-0.03518614 0.00908542 0.03453464
8.18407297 11.85429052 4.98583901
0.00026709 -0.00079661 -0.00009288
-0.00263105 -0.05471192 0.01020477
19.83058282 -11.20140786 -10.35097328
0.00005135 0.00027072 -0.00034769
0.02048550 -0.02280258 -0.01213849
19.08602341 -5.94102194 -0.29738961
0.00032549 0.00011128 0.00020416
-0.00373680 -0.00930363 0.03079970
16.02894162 7.70900575 9.58869366
-0.00017233 -0.00012120 0.00008409
-0.00479024 0.00647430 -0.00994491
3.91951968 -14.48986746 16.59305790
-0.00026139 -0.00027127 0.00013334
0.01318662 0.01936529 -0.01635306
-3.41938225 -2.43709934 -13.72646888
-0.00053416 -0.00026459 -0.00032504
0.02472451 0.02448482 -0.00430743
16.09786540 -6.79167157 -13.40289928
0.00032024 0.00054256 0.00038044
0.00739418 -0.01314131 0.00819245
10.64481037 -4.31102027 6.30105092
-0.00027281 -0.00011456 0.00046232
0.00736230 -0.00852676 0.00141469
-19.54500395 0.84867253 24.94274980
0.00011469 -0.00008274 0.00032038
-0.00513851 -0.03158490 -0.01967474
24.06844394 -0.78435621 -7.56265373
0.00004071 0.00008265 0.00014772
-0.01157492 0.00874979 0.01665774
11.47921942 -9.82062788 -11.25207371
-0.00008976 0.00012859 0.00000674
0.03985393 0.01376973 0.01468453
-9.69367518 -9.92153462 16.47962928
-0.00000762 -0.00000846 0.00045665
0.00949348 0.00606395 0.00645338
7.35625423 0.35978603 -28.54158363
0.00006920 -0.00034669 -0.00015390
0.00050187 -0.00502309 0.01081451
12.59192414 17.73734475 12.22607276
-0.00006665 0.00009388 0.00002706
0.03176485 0.03620483 -0.01218623
25.92599072 7.33829945 -11.06102073
0.00000350 0.00012770 -0.00024923
-0.01510664 0.00201802 -0.00652393
3.77519277 -29.95667859 -4.76916834
-0.00100462 0.00039822 -0.00048424
0.01154827 0.00788765 -0.01087154
3.46539300 -30.83633274 -2.16619663
-0.00007682 -0.00000648 0.00016278
-0.00559645 0.00217332 0.02200851
-9.92898718 3.44351713 -8.64317886
-0.00008376 -0.00096922 -0.00089947
-0.00042106 -0.00218243 0.00386551
-11.37631388 2.73966649 -11.05952818
0.00002734 -0.00046921 0.00033922
-0.01055887 0.00612448 -0.02422364
-37.26397916 3.53214582 3.24324312
0.00082377 0.00022353 -0.00059277
-0.00272929 0.02235865 -0.00965886
-38.80586365 1.08852003 3.44204233
0.00045691 0.00157759 0.00054850
0.00798522 0.00268627 0.00503424
-8.70550108 -3.79138190 1.54369168
-0.00018056 0.00009503 0.00005763
-0.01375053 -0.00420978 0.00416148
-6.37623439 -4.69018287 2.70866624
0.00010953 0.00006897 -0.00057557
0.00599830 -0.00226474 0.00886060
3.51293897 -1.20708318 9.08349676
0.00075115 -0.00081124 -0.00042797
0.00276342 -0.00564767 0.00048929
2.25050634 1.26551950 8.57253369
-0.00068030 -0.00091348 -0.00053711
-0.00613738 0.01088267 -0.00124116
-30.91123270 -0.40826074 3.61949983
0.00016160 -0.00102257 0.00055727
0.00785406 0.00594643 0.00214997
-32.95686009 1.51198712 3.00270523
0.00041970 0.00043717 0.00031889
-0.00370461 0.00173613 0.00565476
15.14402652 11.90666449 -18.21905274
0.00193377 0.00016182 -0.00065794
0.02599288 0.02913532 0.01232747
17.89963794 12.38265830 -17.16344300
-0.00010936 -0.00025620 -0.00026548
-0.01068907 -0.00104929 -0.00715611
-2.97044718 6.64769742 5.32631357
-0.00016728 -0.00018372 0.00011213
0.00290529 -0.01755912 -0.01817579
-3.66701256 5.42319130 2.73931336
-0.00060009 0.00010541 0.00057749
0.00750320 0.00317232 0.00198951
5.61667046 16.62836551 -8.09247716
0.00064125 0.00062495 0.00068437
-0.02006630 0.01505328 0.02972125
6.02119935 18.74636128 -6.28148521
-0.00102593 -0.00074924 0.00044973
0.00642052 0.01125389 0.01181357
8.46802696 6.61316088 -22.90147106
0.00048818 -0.00044160 -0.00004143
0.00710050 -0.00088066 0.01162210
9.71101303 7.50842260 -20.17446181
-0.00062450 -0.00034406 0.00106049
0.02264379 0.00644898 0.00211860
19.35505302 20.01496600 -3.98653054
0.00044175 -0.00108457 -0.00032793
-0.00347872 0.01754428 0.00688433
20.58305651 19.67347644 -6.54083512
0.00011048 -0.00091260 -0.00020196
0.02110231 0.01644843 -0.01722850
1.87305910 13.08234682 -20.76361670
0.00086223 -0.00055019 -0.00037230
0.00154364 -0.00217859 0.00648705
0.31470620 15.26037237 -21.79244011
-0.00036886 0.00106939 -0.00058649
0.00650330 0.00198924 -0.00274524
9.83884820 -7.00161740 -0.54319310
-0.00007733 -0.00036356 0.00037319
-0.01184990 -0.03591368 -0.01661393
9.37222406 -4.25936228 -0.43792438
-0.00035664 -0.00010299 0.00019655
-0.01664761 0.02550995 -0.00870001
-17.08064821 -6.29078339 6.53055499
0.00069024 -0.00052999 -0.00044200
-0.00207852 0.00360096 -0.00832388
-18.00144350 -5.71283355 3.71346778
0.00048930 0.00130539 0.00025017
0.01028654 -0.00217743 0.01308950
-14.45356346 -0.70082400 19.06447050
0.00075491 -0.00136717 0.00055140
-0.00116961 -0.00431304 0.01441121
-14.92679815 -0.42099190 22.00744610
0.00007608 -0.00024493 -0.00065663
-0.00260767 0.00482733 0.00218947
-0.27322003 3.14903110 -3.46551471
-0.00035752 -0.00129028 0.00012347
0.01488135 0.00639060 -0.01326632
0.95016894 2.25233185 -5.96808881
-0.00078974 -0.00004889 0.00023737
0.00454229 0.00660994 0.01412116
20.44040752 -9.07007645 -5.65745734
-0.00059294 0.00028662 -0.00069155
-0.01370499 -0.00511281 0.00969959
22.85698517 -9.74624102 -4.53330913
0.00084243 0.00082076 -0.00035145
-0.03250134 -0.00425224 0.02891863
4.54945179 -11.29874046 6.10826083
-0.00089783 0.00024936 0.00144990
-0.02986622 0.00849816 0.02071025
2.58132952 -11.72267759 8.46610221
-0.00036065 0.00037489 -0.00049508
0.01500651 0.01320935 -0.02274820
-2.63462785 -3.22576995 -20.22916205
-0.00015210 0.00113188 -0.00010398
0.02830446 0.02826308 0.00295821
-2.50709109 -1.45638429 -17.97635990
-0.00047706 0.00008916 0.00027021
-0.00334737 0.00920529 0.01779193
1.17244926 5.51157559 -11.01788322
-0.00020234 0.00010993 -0.00007256
-0.03488274 -0.00455333 -0.02031591
-0.85004959 4.17400144 -9.69527567
0.00095656 0.00077257 -0.00084499
-0.02205253 -0.01830947 0.02911153
-3.86996057 16.21249502 14.86882692
-0.00087258 0.00020116 -0.00075668
-0.02425868 -0.00456573 -0.02314748
-6.65887275 15.67144775 13.98323202
0.00003986 0.00064995 -0.00050978
0.00521725 0.00303450 0.00323886
-5.75499597 1.91455876 -6.44448717
0.00071555 0.00073030 -0.00007391
0.00359521 0.00043007 -0.00523463
-5.70595801 2.52510418 -9.29095910
0.00003441 -0.00045644 0.00010465
0.00895212 -0.00189043 0.00122881
-9.61520047 -1.22751793 -3.99840815
0.00047429 -0.00054717 -0.00070364
-0.00824253 -0.02855421 0.00004141
-9.35778143 1.39850103 -3.48213914
-0.00027114 -0.00025628 0.00096515
-0.01313456 0.04338096 0.02529585
2.32286770 29.24856792 4.49733021
0.00049796 -0.00029833 -0.00000216
0.01155641 -0.04073294 0.02130001
2.86713003 28.81762009 7.27958581
-0.00064072 -0.00087263 0.00041448
-0.00175373 0.00203010 0.02142029
7.27697020 -10.18557821 -3.21536770
-0.00038481 -0.00090225 -0.00049127
0.02021469 0.01585974 0.02624162
8.71488634 -10.99996774 -0.73990010
0.00005802 -0.00011939 -0.00002770
-0.00056734 0.00409045 -0.00800219
-5.22130893 -0.03509504 9.39561297
-0.00071580 0.00022953 0.00090239
-0.01315143 -0.01285776 -0.00077481
-8.17898548 0.85672288 10.10024232
-0.00022126 0.00023132 0.00000725
-0.00550470 -0.01958349 -0.00175605
19.42408730 9.33021830 8.01403479
-0.00020399 0.00027210 -0.00079742
0.00509057 0.00839110 -0.01128566
21.36859691 10.29752563 5.95440947
-0.00130622 -0.00025874 0.00015073
0.04374160 0.01206537 0.00271017
-2.82761495 0.24115165 -22.63875128
0.00028953 0.00021995 0.00138702
0.00741122 -0.00328753 0.01971427
-5.24856959 0.84998458 -24.11826846
0.00095474 -0.00059250 -0.00038190
0.02900296 -0.00348023 -0.00867020
-12.56180954 9.39068418 10.67874942
-0.00053337 0.00016923 0.00008171
0.00063375 0.00546462 -0.00598284
-13.48284287 9.40153971 7.95790978
0.00037226 0.00006190 0.00050283
-0.00117620 0.00764992 -0.00267400
-13.79117795 4.16517792 -4.75092964
0.00046363 -0.00105767 -0.00057648
-0.00667431 0.00526206 -0.00078998
-15.12513023 6.90396615 -4.83054106
0.00106605 0.00041920 -0.00017623
0.00042414 -0.02327852 0.00575697
-5.30602235 -16.18363340 21.26535525
-0.00018923 -0.00023691 0.00066476
-0.01022714 -0.00129680 -0.00272975
-3.14509776 -15.59479113 19.51253491
0.00042445 0.00037572 0.00020770
0.00823528 -0.00122814 -0.01422878
-6.41409795 6.68824738 -6.34994368
-0.00048467 0.00059000 -0.00062893
0.00772361 0.00430529 -0.00423867
-7.03923269 9.39696451 -5.40313884
-0.00060090 -0.00002593 0.00052799
0.00128698 -0.00123298 -0.01504349
-20.51155883 31.03421648 -0.28859065
-0.00012088 0.00015231 0.00065743
-0.00205297 -0.00282004 -0.00002713
-18.05431753 30.80012926 1.28749429
0.00080640 0.00051592 -0.00063913
-0.00063193 -0.00761764 -0.00487364
9.33703848 2.83365236 6.87090368
0.00044871 0.00099753 0.00056647
-0.01828476 -0.00784372 -0.01702742
9.91863835 5.35969026 8.42334580
0.00010291 0.00130662 0.00012814
-0.00430490 -0.01988011 -0.00569410
8.62648952 17.59750019 -12.74055340
-0.00012929 0.00077360 0.00093494
-0.01892644 -0.01352097 0.00921409
8.74736329 15.29629342 -11.17241434
0.00004853 -0.00028227 -0.00003726
-0.00088814 -0.00759649 0.00410782
12.87451165 5.86579506 -0.05289915
0.00017023 -0.00183086 0.00057815
0.01300991 -0.01065348 -0.00745320
14.28524905 3.35016865 0.54510774
0.00006486 0.00037605 0.00083370
-0.01180663 0.02010504 -0.01764115
-4.30062667 11.39386802 -2.45094365
-0.00076410 0.00115758 -0.00149961
0.03668806 -0.00993702 -0.03326790
-5.53501814 10.50349226 -0.16750107
-0.00023807 -0.00007203 -0.00003041
-0.00433551 0.00453332 -0.00143596
7.98780262 13.56400738 4.74276599
-0.00022829 0.00007919 -0.00020283
-0.00941038 0.05663869 -0.00533703
9.87115013 11.42932424 4.47021950
0.00063330 0.00021198 0.00013746
0.00787471 -0.00492864 -0.00337169
18.45347488 -11.74246228 -9.31404881
-0.00016952 0.00058787 0.00072015
-0.01096977 0.00305300 0.01406708
20.64033569 -12.86254478 -10.65798011
0.00045216 -0.00102279 -0.00044680
-0.00326199 0.01569900 0.00506248
18.98861091 -5.44483810 -2.00841401
-0.00079947 0.00099813 0.00015513
0.00367131 0.00547795 -0.02370485
18.16219762 -7.58964522 -0.26316213
0.00000115 0.00077330 -0.00035881
0.00223220 0.00644953 -0.00124827
15.35116716 9.40827029 9.42265531
-0.00013719 -0.00068822 -0.00039244
-0.00010562 -0.00955963 0.00452326
16.37115439 7.41603242 11.34239567
0.00054759 0.00034300 -0.00039545
-0.00119535 0.00274386 0.00833083
2.66222697 -15.85653152 16.91755825
0.00014921 -0.00035733 0.00077858
-0.00158276 0.01834738 0.01074860
3.69363753 -12.69096742 17.08796368
0.00025543 -0.00006812 0.00008501
-0.01487066 -0.03007699 0.00117332
-4.01482037 -4.13759972 -13.49274009
0.00031071 -0.00028979 -0.00022847
-0.00778325 -0.01741589 0.00267853
-1.63092519 -2.30616389 -13.28005781
-0.00079423 -0.00003862 -0.00032439
-0.01306362 -0.00290635 -0.00081838
16.10713402 -7.66818253 -15.08022847
0.00003374 0.00054749 0.00051825
-0.00248255 0.00435941 0.00071923
17.09659895 -7.83200833 -12.22208775
-0.00006514 0.00037290 -0.00010471
-0.00775799 0.01240521 -0.00816387
9.59075587 -4.63837975 4.84682449
0.00090597 0.00016820 0.00006988
-0.00470014 0.00259670 0.00140945
12.32219357 -4.83061062 5.71079843
0.00031903 -0.00047127 -0.00073047
-0.01011066 0.01002919 0.00323124
-21.05674843 -0.24968712 24.63623763
-0.00064330 0.00043504 -0.00062229
0.01766697 0.01699689 0.01106457
-19.95330004 2.26678076 25.94460299
-0.00013568 0.00057264 -0.00089249
-0.01626468 0.02047724 0.01091861
24.84573645 -2.43601880 -7.34640338
-0.00068786 -0.00059904 0.00041886
0.00322729 -0.00105364 -0.00097288
24.15069941 -0.29278489 -9.31484590
-0.00014772 -0.00053981 0.00061425
0.00220726 -0.00460279 -0.01391192
12.64075438 -10.03980200 -9.76283575
0.00024284 -0.00067595 -0.00021083
-0.02287129 0.00722153 -0.01800030
12.37134186 -8.46721583 -12.22689917
0.00042066 0.00014751 0.00047109
-0.01206493 -0.01820741 0.00997342
-9.38675475 -9.15091239 18.14285697
0.00028377 0.00019455 0.00006471
-0.00654660 -0.00905933 -0.01514768
-11.41623650 -10.50926659 16.52569839
-0.00141665 0.00084778 -0.00029788
0.00377366 0.00369784 0.00796668
8.60761397 0.94426126 -29.78953127
-0.00036499 -0.00162092 -0.00076336
-0.00558010 0.00511804 -0.00109445
5.68565904 1.07314248 -28.76806972
-0.00045033 -0.00013831 -0.00032706
0.00470474 -0.00140150 -0.00754832
12.51462943 19.60608423 12.43263412
0.00007942 -0.00060921 -0.00014112
-0.00525472 -0.02717993 0.00309379
14.21137399 17.60730975 11.23662288
-0.00067384 -0.00045010 -0.00034448
-0.02706351 -0.00500169 0.00999333
27.54207830 7.59865477 -11.85380075
-0.00013236 0.00026273 0.00070554
0.01892589 0.00158870 0.00230346
26.06246668 7.76001603 -9.29374887
-0.00017530 -0.00090547 0.00006537
0.00507353 0.00218194 0.01187390
-7.26770558 4.60412244 6.70261274
0.00029248 0.00000017 0.00000557
-0.00005819 -0.00737468 -0.00564179
-9.05957045 8.76799696 3.85994075
0.00023805 -0.00003547 0.00004298
-0.00008207 -0.00204967 -0.00314547
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07829057
0.32146929
428.34171596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3812410321 (a.u.)
total exchange computation time: 3.0755090714 s
-154.2067475382
-931.40006748
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3810510350 (a.u.)
total exchange computation time: 3.0744981766 s
-154.2089243741
Anderson extrapolation: theta=1.3585043146 (1.3585043146)
-931.40027086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3806969751 (a.u.)
total exchange computation time: 3.0754690170 s
-154.2126725391
Anderson extrapolation: theta=0.0546475015 (0.0546475015)
-931.40039378
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3806004330 (a.u.)
total exchange computation time: 3.0787489414 s
-154.2135487550
Anderson extrapolation: theta=1.9554258069 (1.9554258069)
-931.40039872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3803870275 (a.u.)
total exchange computation time: 3.0753021240 s
-154.2154278484
Anderson extrapolation: theta=0.2189558329 (0.2189558329)
-931.40040410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3803326630 (a.u.)
total exchange computation time: 3.0769319534 s
-154.2158617341
Anderson extrapolation: theta=1.7979174814 (1.7979174814)
-931.40040513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3802517906 (a.u.)
total exchange computation time: 3.0761339664 s
-154.2164628578
Anderson extrapolation: theta=0.2706154041 (0.2706154041)
-931.40040635
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3802470055 (a.u.)
total exchange computation time: 3.0756170750 s
-154.2164539087
Anderson extrapolation: theta=1.3114146890 (1.3114146890)
-931.40040663
72.415299 156.921999 -294.422756
548.411951 1079.077939 -415.981025
620.827250 1235.999938 -710.403781
1554.926317
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3802530869 (a.u.)
total exchange computation time: 3.0756440163 s
678.92042836
-1083.97053710
89.80348719
-388.94383154
-174.82970066
78.37879320
551.60419304
0.00000000
-931.40040684
3.84290186 -31.51288377 -3.81568434
-0.00034149 0.00033686 0.00001801
0.00152301 -0.00362414 -0.01852288
-11.12968437 2.26332911 -9.32937236
0.00000802 0.00005437 0.00002104
0.00006290 -0.01449661 0.02138385
-37.14387455 1.86052314 3.87469584
-0.00007739 -0.00007982 0.00023138
0.01516819 -0.01380002 0.00248372
-7.75525568 -3.56406084 3.10064833
0.00000428 -0.00010299 -0.00008284
0.01067448 -0.00383100 -0.01715232
2.16889174 -0.14577319 9.70403984
0.00010597 0.00034075 0.00010080
0.01056685 -0.01543571 -0.00815302
-31.20485413 1.42247995 3.51553999
-0.00022996 -0.00001967 0.00000028
0.00421319 -0.00895006 -0.00795196
16.40703910 13.34330622 -17.74050959
-0.00010849 -0.00027163 0.00008978
-0.00727665 -0.02672930 -0.00950777
-3.20998307 4.98273000 4.44426862
-0.00003949 -0.00003282 -0.00061225
-0.00730784 0.00761217 0.01705800
4.84892487 17.36955227 -6.46098887
-0.00000222 0.00008663 -0.00019734
0.01129196 -0.03292430 -0.04826646
8.25190482 7.04233371 -21.09369766
0.00024723 0.00056431 -0.00022239
-0.03889711 -0.00689445 -0.01762602
19.51677470 18.87427982 -5.37951462
0.00061465 0.00014771 0.00009908
-0.01843378 -0.03913225 0.00593979
2.08263054 14.73615094 -21.48301814
-0.00011928 -0.00016312 0.00016809
-0.01262795 0.00130001 -0.00185310
10.47862318 -5.52452547 0.16720866
0.00002225 -0.00009397 -0.00023352
0.03325335 0.01637381 0.02621958
-16.61127846 -5.50460554 4.93115973
0.00002650 -0.00013495 -0.00019758
-0.00329814 -0.00087347 -0.00265746
-14.28358266 -1.53673709 20.73131473
0.00004963 0.00012995 -0.00003607
0.00465586 -0.00152116 -0.01437553
1.03402118 3.63786519 -4.71532514
-0.00023039 0.00018494 -0.00022364
-0.02205037 -0.01743353 0.00468400
20.99447893 -9.65198862 -3.99541303
-0.00017692 0.00011472 -0.00012963
0.04038975 0.00579005 -0.04900148
2.84899846 -10.81477614 6.83314974
0.00002478 -0.00010788 -0.00019801
0.00971613 -0.01402971 0.00609772
-1.71600150 -1.64572845 -19.57805370
-0.00013431 -0.00036519 0.00024787
-0.02813025 -0.03663000 -0.02190867
-0.67485184 4.96952327 -11.26679527
0.00014083 0.00030376 0.00000298
0.04755724 0.02894891 -0.01779439
-4.91134973 15.48554646 13.45191805
0.00010593 0.00006988 0.00015187
0.01460735 0.00070973 0.02932924
-4.95798239 3.03295791 -7.67507329
-0.00001277 0.00000296 -0.00057573
-0.00894351 0.00356277 0.00322141
-8.68636680 0.18317824 -4.55049085
0.00011790 -0.00024518 0.00014423
0.02061402 -0.00527320 -0.01561044
2.91688376 27.88901704 5.75538761
0.00004780 -0.00001078 -0.00019019
-0.01014986 0.02592872 -0.04151559
8.73977444 -9.71615812 -2.07899296
0.00000884 0.00044866 -0.00004506
-0.02741235 -0.03031607 -0.01198648
-6.47320088 1.29659965 9.73337987
0.00046093 0.00007168 0.00031094
0.00569663 0.03466958 0.00492442
19.74713805 9.67615674 6.21256342
0.00011407 -0.00024942 -0.00036767
-0.05574384 -0.01616624 0.01105387
-3.38044223 0.69234963 -24.30073545
-0.00026927 -0.00006760 -0.00020820
-0.01989653 0.00189918 0.00404585
-13.59531230 8.43508855 9.50378584
-0.00008570 0.00004845 -0.00006120
-0.00285796 -0.01512879 0.00161897
-13.89903374 5.79920058 -3.93768923
0.00001352 0.00004775 0.00003607
0.01080073 0.00321807 -0.00324670
-3.79815455 -15.14886931 21.12269076
-0.00003053 0.00016550 0.00010233
0.00396222 0.00262996 0.01533300
-6.17516206 8.46964402 -6.74474047
-0.00032691 0.00013479 0.00046637
-0.00438963 -0.00010695 0.00836102
-19.78792820 30.20511954 1.15935935
-0.00013969 0.00010855 0.00018607
0.01386438 0.01171022 0.00562323
10.36958694 3.54304104 8.14917052
-0.00021118 -0.00005890 -0.00009871
0.02243731 0.04418647 0.02923298
7.47684600 16.49488215 -11.70440734
-0.00003405 0.00006207 -0.00015843
0.01386191 0.01504120 -0.00824808
13.99366958 4.61522341 -0.86965623
0.00010687 0.00000154 0.00026970
-0.00137343 -0.02423950 0.02973656
-5.53168248 11.92577486 -1.32282739
-0.00026867 -0.00029821 0.00012250
-0.03346448 0.01109195 0.03115206
8.18806922 11.84213034 4.98448514
0.00026559 -0.00082195 -0.00008804
-0.00322388 -0.04384667 0.00862140
19.83143215 -11.19743508 -10.35623540
0.00006166 0.00025691 -0.00035348
0.01960244 -0.03089633 -0.01040076
19.09089128 -5.93938869 -0.29420843
0.00032371 0.00010730 0.00021889
-0.00317515 -0.00616363 0.02648688
16.02633821 7.70721266 9.58991662
-0.00017461 -0.00011869 0.00007827
-0.00407432 0.00331797 -0.01269193
3.91564972 -14.49386177 16.59499493
-0.00025438 -0.00026104 0.00012485
0.01406122 0.02039478 -0.01666665
-3.42729922 -2.44097380 -13.73136108
-0.00052166 -0.00025179 -0.00032738
0.02388054 0.02532216 -0.00479659
16.10269752 -6.78358384 -13.39716105
0.00032359 0.00053610 0.00038409
0.00562310 -0.01200184 0.00600248
10.64074656 -4.31277161 6.30799119
-0.00026679 -0.00011939 0.00046276
0.01604657 -0.01023647 0.00028830
-19.54330338 0.84730966 24.94747955
0.00011135 -0.00009944 0.00031009
-0.00785850 -0.03337413 -0.02031663
24.06900993 -0.78308271 -7.56037368
0.00003499 0.00008619 0.00015746
-0.01067104 0.00501282 0.02121945
11.47802670 -9.81864586 -11.25191598
-0.00006912 0.00013561 0.00001441
0.04041282 0.01351732 0.01515336
-9.69375280 -9.92163807 16.48650394
-0.00000462 -0.00000617 0.00045937
0.00217418 0.00283808 0.00410852
7.35729415 0.35456634 -28.54385049
0.00006826 -0.00034896 -0.00014822
-0.00414871 -0.00379829 0.01127983
12.59104686 17.73889262 12.22643161
-0.00005070 0.00011119 0.00002089
0.03027626 0.03108680 -0.01178447
25.92598490 7.34022278 -11.06478442
-0.00000498 0.00012869 -0.00025194
-0.01785687 0.00183347 -0.00401322
3.76047735 -29.95046354 -4.77676506
-0.00095678 0.00042602 -0.00052429
0.01187160 0.00571983 -0.00873557
3.46406926 -30.83636336 -2.16308057
-0.00009971 0.00000370 0.00025259
-0.00560878 0.00280809 0.02195693
-9.93025655 3.42891203 -8.65655239
-0.00007367 -0.00096678 -0.00087622
0.00536490 0.00337377 0.00751241
-11.37622728 2.73281598 -11.05518223
-0.00001705 -0.00044279 0.00023464
-0.01117048 0.00680973 -0.02696694
-37.25170631 3.53618389 3.23405562
0.00081402 0.00030598 -0.00062850
-0.00204277 0.01799986 -0.00783128
-38.79876536 1.11226617 3.45042408
0.00047750 0.00158096 0.00056597
0.00209698 -0.00103794 0.00351854
-8.70863087 -3.79008550 1.54468364
-0.00023732 0.00007765 0.00007390
-0.01403252 -0.00429431 0.00380121
-6.37440759 -4.68921775 2.70030415
0.00013328 0.00006053 -0.00053899
0.00562725 -0.00186480 0.00904540
3.52429090 -1.21942487 9.07709223
0.00074685 -0.00082132 -0.00041913
-0.00486891 0.00071255 0.00383634
2.24011379 1.25215078 8.56443908
-0.00070439 -0.00086153 -0.00054882
-0.00565762 0.01454522 -0.00449501
-30.90856797 -0.42341704 3.62792476
0.00019020 -0.00098409 0.00056435
0.00614267 0.01288789 0.00131342
-32.95067806 1.51859783 3.00766189
0.00039472 0.00044331 0.00033917
-0.00852543 0.00127302 0.00426969
15.17382965 11.90998455 -18.22854415
0.00202926 0.00027350 -0.00061008
0.02074739 0.02553185 0.01110355
17.89766999 12.37878320 -17.16764442
-0.00015061 -0.00025981 -0.00029360
-0.00950105 -0.00071863 -0.00661277
-2.97286731 6.64440361 5.32743863
-0.00015534 -0.00025716 0.00003631
0.00294002 -0.01839297 -0.01894131
-3.67578398 5.42486969 2.74803661
-0.00057307 0.00012221 0.00057128
0.00572054 0.00504980 -0.00502865
5.62567428 16.63820101 -8.08130087
0.00056077 0.00068244 0.00079884
-0.01932981 0.01308914 0.02631112
6.00600718 18.73546757 -6.27437728
-0.00098752 -0.00068758 0.00050122
0.01237855 0.01892582 0.01339302
8.47556726 6.60650991 -22.90173635
0.00051812 -0.00044437 0.00000698
0.00755672 -0.00047488 0.01207642
9.70233939 7.50345924 -20.15848952
-0.00052748 -0.00031691 0.00107055
0.02484968 0.00684336 0.00280358
19.36157269 19.99923506 -3.99123848
0.00042738 -0.00100099 -0.00028801
-0.00355687 0.02336705 0.01265258
20.58536037 19.66029140 -6.54439248
0.00020216 -0.00083997 -0.00027746
0.02377521 0.01910460 -0.01972710
1.88603989 13.07402720 -20.76900237
0.00086529 -0.00055711 -0.00034631
-0.00004823 -0.00121068 0.00623300
0.30937252 15.27647413 -21.80132160
-0.00033435 0.00107089 -0.00059441
0.01039383 -0.00125361 -0.00113321
9.83732516 -7.00817135 -0.53810429
-0.00012553 -0.00050827 0.00030607
-0.01174526 -0.03492238 -0.01624257
9.36636437 -4.26012546 -0.43524271
-0.00042328 -0.00000120 0.00016168
-0.01597331 0.02431859 -0.00836772
-17.07035832 -6.29862291 6.52366993
0.00067986 -0.00051634 -0.00047367
-0.00300140 0.00308184 -0.00717927
-17.99378884 -5.69331942 3.71762149
0.00052239 0.00129406 0.00029697
0.00591531 -0.00336831 0.00981946
-14.44227562 -0.72146370 19.07318311
0.00074798 -0.00137651 0.00059635
-0.00222436 -0.00025881 0.00759143
-14.92573680 -0.42451793 21.99766377
0.00006124 -0.00021818 -0.00064049
-0.00465712 0.00826930 0.00571054
-0.27812688 3.12987280 -3.46406914
-0.00029114 -0.00125956 0.00006511
0.01761560 0.00864475 -0.01530487
0.93846207 2.25180109 -5.96409553
-0.00076952 -0.00002226 0.00029196
0.00535459 0.00642516 0.01260222
20.43109338 -9.06593377 -5.66753333
-0.00064459 0.00026244 -0.00064334
-0.01157616 -0.00672582 0.01389953
22.86862572 -9.73405986 -4.53769477
0.00070069 0.00080312 -0.00023142
-0.03688402 -0.00438691 0.02984022
4.53506908 -11.29473963 6.13064401
-0.00100363 0.00027942 0.00152576
-0.02192110 0.00621667 0.01642234
2.57637960 -11.71664952 8.45797888
-0.00030081 0.00042629 -0.00058273
0.01428527 0.01195188 -0.02015365
-2.63604208 -3.20792565 -20.23063108
-0.00004153 0.00123737 -0.00009437
0.02582473 0.02337224 0.00174754
-2.51434957 -1.45476488 -17.97176153
-0.00048876 0.00012599 0.00033902
-0.00238083 0.00882386 0.01589071
1.16834521 5.51308507 -11.01959421
-0.00034036 0.00009312 -0.00015657
-0.03267522 -0.00367900 -0.02080494
-0.83637692 4.18502898 -9.70705852
0.00086311 0.00068831 -0.00070855
-0.02369053 -0.02293939 0.03767738
-3.88379258 16.21537252 14.85676738
-0.00096288 0.00018719 -0.00084065
-0.01994478 -0.00227166 -0.01795556
-6.65811500 15.68128991 13.97568456
0.00005985 0.00066209 -0.00049650
0.00456933 0.00291246 0.00326144
-5.74415248 1.92552638 -6.44575618
0.00072736 0.00072830 -0.00009125
0.00218437 -0.00140898 -0.00325379
-5.70516758 2.51819969 -9.28935176
0.00006840 -0.00046574 0.00010423
0.00768950 -0.00266506 -0.00143230
-9.60833868 -1.23660049 -4.00896151
0.00043903 -0.00066534 -0.00070246
-0.00901692 -0.02929065 0.00053858
-9.36225102 1.39598615 -3.46688669
-0.00031941 -0.00009061 0.00105997
-0.01049476 0.03771579 0.02111533
2.33069117 29.24284480 4.49795048
0.00054348 -0.00046024 0.00008241
0.01072966 -0.03852551 0.02009855
2.85746551 28.80459279 7.28645938
-0.00064815 -0.00086524 0.00049927
-0.00188169 0.00159146 0.02008402
7.27181754 -10.19862600 -3.22193264
-0.00029530 -0.00083350 -0.00037900
0.02359959 0.01779687 0.02871401
8.71573932 -11.00163329 -0.74056079
0.00005663 -0.00009907 -0.00006346
-0.00011394 0.00585738 -0.00950206
-5.23244888 -0.03204610 9.40912501
-0.00076071 0.00016829 0.00089648
-0.00883420 -0.01711813 -0.00211447
-8.18247299 0.85959251 10.10029730
-0.00023469 0.00015418 -0.00000191
-0.00106980 -0.01817385 -0.00273107
19.42118350 9.33455695 8.00172773
-0.00018463 0.00030508 -0.00083708
0.00438583 0.00775297 -0.00813127
21.35034399 10.29401429 5.95675341
-0.00110274 -0.00019968 0.00015712
0.05586525 0.01684470 0.00041799
-2.82304487 0.24435009 -22.61734185
0.00031175 0.00021292 0.00144358
0.00346710 -0.00015158 0.00797100
-5.23335980 0.84099039 -24.12426257
0.00105559 -0.00060473 -0.00041551
0.02036311 -0.00250604 -0.00778679
-12.56979074 9.39339011 10.67979180
-0.00052980 0.00019156 0.00005886
0.00111546 0.00546509 -0.00520208
-13.47729496 9.40270259 7.96537024
0.00036716 0.00009654 0.00048501
-0.00132190 0.00930632 -0.00604593
-13.78442798 4.14947407 -4.75960109
0.00043458 -0.00101875 -0.00057195
-0.00754988 0.01379107 0.00301009
-15.10912649 6.90954080 -4.83300807
0.00106450 0.00032566 -0.00015533
-0.00118217 -0.02251147 0.00447112
-5.30917422 -16.18722677 21.27524303
-0.00022522 -0.00023870 0.00065137
-0.00738821 0.00041949 -0.00382364
-3.13847858 -15.58919295 19.51521435
0.00045664 0.00037027 0.00015064
0.00752104 -0.00143865 -0.01370191
-6.42113138 6.69722929 -6.35950745
-0.00045460 0.00059826 -0.00064335
0.00699587 -0.00025948 -0.00282178
-7.04820671 9.39653782 -5.39567996
-0.00059521 -0.00003201 0.00046592
0.00149488 -0.00174662 -0.01533919
-20.51343494 31.03641478 -0.27873009
-0.00013267 0.00014332 0.00065223
-0.00371776 -0.00158326 -0.00251586
-18.04224085 30.80763468 1.27775805
0.00079048 0.00047966 -0.00065881
-0.00716035 -0.01013157 -0.00475995
9.34320890 2.84837498 6.87887891
0.00036135 0.00095698 0.00048131
-0.02447838 -0.01200451 -0.02465990
9.92005007 5.37868036 8.42509340
0.00008831 0.00121179 0.00010333
-0.00284109 -0.02653744 -0.00644970
8.62397015 17.60868986 -12.72624688
-0.00020472 0.00071887 0.00097072
-0.01799529 -0.01327100 0.00829612
8.74806405 15.29182653 -11.17284738
0.00004162 -0.00030951 -0.00002268
-0.00249289 -0.00573601 0.00302775
12.87746376 5.83800570 -0.04445525
0.00021315 -0.00186079 0.00055250
0.00800130 -0.00399676 -0.00510526
14.28586019 3.35642542 0.55707273
0.00001830 0.00045623 0.00075915
-0.01098405 0.01914614 -0.01885211
-4.31096387 11.41092722 -2.47445716
-0.00061986 0.00111753 -0.00162870
0.03391472 -0.00966664 -0.02992274
-5.53872205 10.50255077 -0.16800118
-0.00025331 -0.00005743 -0.00003643
-0.00312300 0.00261389 -0.00151350
7.98408983 13.56693075 4.73956005
-0.00026486 0.00028896 -0.00022165
-0.00848933 0.04604534 -0.00387827
9.88089097 11.43235295 4.47217803
0.00066478 0.00019178 0.00012402
0.00753191 -0.00496025 -0.00320334
18.45059594 -11.73355066 -9.30281555
-0.00020466 0.00060247 0.00077052
-0.00622982 0.00409087 0.01059020
20.64701806 -12.87740553 -10.66452702
0.00043058 -0.00094459 -0.00042270
-0.00730097 0.02257882 0.00673364
18.97673134 -5.42969831 -2.00681351
-0.00078387 0.00101858 0.00006551
0.00396692 0.00453175 -0.02016322
18.16228334 -7.57784815 -0.26858255
0.00000843 0.00079428 -0.00036276
0.00132883 0.00382292 -0.00068285
15.34910605 9.39765409 9.41690734
-0.00014030 -0.00072004 -0.00037443
-0.00141478 -0.00601787 0.00429291
16.37933157 7.42126151 11.33671917
0.00054399 0.00035334 -0.00035550
-0.00056478 0.00231621 0.01122759
2.66441669 -15.86132929 16.92956635
0.00014164 -0.00028265 0.00082253
-0.00212355 0.01820861 0.01076272
3.69701330 -12.69291082 17.08927477
0.00019390 -0.00019229 0.00008989
-0.01524772 -0.03070800 0.00121658
-4.01039818 -4.14248022 -13.49608512
0.00027739 -0.00036323 -0.00021728
-0.00852982 -0.01853214 0.00280162
-1.64323901 -2.30683229 -13.28494877
-0.00084348 -0.00004965 -0.00032701
-0.01104185 -0.00249174 -0.00046158
16.10756404 -7.65983660 -15.07243269
0.00002324 0.00056485 0.00052067
-0.00265715 0.00413773 0.00046602
17.09538417 -7.82603475 -12.22390850
-0.00009331 0.00042021 -0.00013384
-0.00603494 0.01075307 -0.00609521
9.60420134 -4.63577721 4.84791584
0.00088047 0.00017823 0.00007100
-0.00778065 0.00231204 -0.00086072
12.32666920 -4.83737235 5.69994039
0.00026716 -0.00042614 -0.00071091
-0.01528015 0.01206354 0.00634618
-21.06585649 -0.24264069 24.62724238
-0.00056627 0.00050724 -0.00057575
0.02003750 0.01834391 0.01171776
-19.95583370 2.27599778 25.93155021
-0.00020225 0.00065716 -0.00084783
-0.01632119 0.02089551 0.01094481
24.83551741 -2.44503672 -7.34015028
-0.00067647 -0.00059840 0.00041399
0.00235160 0.00136574 -0.00141375
24.14855129 -0.30102314 -9.30605842
-0.00013832 -0.00055583 0.00054873
0.00239057 -0.00323893 -0.01816027
12.64369615 -10.04972002 -9.76654985
0.00014866 -0.00064635 -0.00028435
-0.02323133 0.00726912 -0.01798792
12.37728210 -8.46556112 -12.21952715
0.00037074 0.00007349 0.00051088
-0.01237038 -0.01802592 0.00950219
-9.38269875 -9.14827179 18.14336351
0.00025623 0.00015857 0.00000656
-0.00693455 -0.00855248 -0.01331745
-11.43737055 -10.49643661 16.52147434
-0.00138508 0.00086852 -0.00026439
0.01167634 0.00645300 0.00842359
8.60196810 0.92010436 -29.80101525
-0.00038627 -0.00159836 -0.00076928
-0.00483565 0.00592449 -0.00179987
5.67904821 1.07102487 -28.77320688
-0.00042320 -0.00014769 -0.00035705
0.00857882 -0.00319141 -0.00713157
12.51565971 19.59611324 12.43061210
0.00005767 -0.00071001 -0.00012735
-0.00539121 -0.02216484 0.00364992
14.20043705 17.60040498 11.23176193
-0.00078082 -0.00047013 -0.00030581
-0.02530121 -0.00480331 0.00893396
27.54067288 7.60264437 -11.84314699
-0.00004893 0.00026991 0.00071070
0.02191085 0.00192671 0.00022162
26.05999270 7.74650087 -9.29240440
-0.00015537 -0.00089676 0.00011310
0.00468086 0.00208243 0.01148961
-7.26331848 4.60410519 6.70268120
0.00029243 -0.00000247 0.00000355
-0.00025138 -0.00739584 -0.00566624
-9.05599986 8.76746130 3.86058003
0.00023803 -0.00003601 0.00004227
-0.00004941 -0.00255614 -0.00299349
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07830807
0.32209876
429.18045228
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.3934888556 (a.u.)
total exchange computation time: 3.0765509605 s
-154.2541703598
-931.39847701
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3931762061 (a.u.)
total exchange computation time: 3.0783369541 s
-154.2571928402
Anderson extrapolation: theta=1.3488792575 (1.3488792575)
-931.39867989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3926445182 (a.u.)
total exchange computation time: 3.0763931274 s
-154.2621329172
Anderson extrapolation: theta=0.0510747377 (0.0510747377)
-931.39880091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3925299039 (a.u.)
total exchange computation time: 3.0759220123 s
-154.2631099331
Anderson extrapolation: theta=1.8820645895 (1.8820645895)
-931.39880531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.880 s
total exchange = -52.3922853211 (a.u.)
total exchange computation time: 3.0740149021 s
-154.2651447278
Anderson extrapolation: theta=0.2104358593 (0.2104358593)
-931.39880979
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3922230761 (a.u.)
total exchange computation time: 3.0758910179 s
-154.2656203662
Anderson extrapolation: theta=1.8659048791 (1.8659048791)
-931.39881061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.880 s
total exchange = -52.3921238973 (a.u.)
total exchange computation time: 3.0761048794 s
-154.2663333021
Anderson extrapolation: theta=0.2815483450 (0.2815483450)
-931.39881162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3921140643 (a.u.)
total exchange computation time: 3.0751929283 s
-154.2663595733
Anderson extrapolation: theta=1.3268765166 (1.3268765166)
-931.39881185
72.465181 156.932294 -294.370669
548.373538 1079.079750 -415.987442
620.838718 1236.012044 -710.358111
1554.919655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.880 s
total exchange = -52.3921151395 (a.u.)
total exchange computation time: 3.0782649517 s
679.10582428
-1084.36445294
89.78726601
-388.67507883
-174.86025542
78.59665808
551.60419304
0.00000000
-931.39881203
3.83778534 -31.50784482 -3.81548559
-0.00034080 0.00033551 0.00000809
0.00117421 -0.00162267 -0.02007681
-11.12956384 2.26408880 -9.32897428
0.00000665 0.00004538 0.00003152
-0.00537142 -0.02047576 0.01937704
-37.14497686 1.85927259 3.87817611
-0.00006800 -0.00008466 0.00023249
0.02132396 -0.00499929 0.00183059
-7.75515028 -3.56562052 3.09933950
0.00000987 -0.00010505 -0.00009161
0.01105228 -0.00415878 -0.01692073
2.17052210 -0.14072148 9.70552046
0.00011309 0.00033045 0.00009662
0.01710735 -0.02460930 -0.00810503
-31.20828730 1.42215043 3.51551344
-0.00022611 -0.00002577 -0.00000324
0.01077293 -0.01479197 -0.00573418
16.40538361 13.33912874 -17.73919949
-0.00011106 -0.00028410 0.00008526
-0.00271883 -0.02177936 -0.00810466
-3.21060361 4.98226701 4.43515073
-0.00004275 -0.00002933 -0.00060156
-0.00537396 0.00595497 0.02451404
4.84893512 17.37072473 -6.46413516
0.00000177 0.00006837 -0.00022150
0.00422928 -0.03810051 -0.04566627
8.25546316 7.05077178 -21.09710155
0.00022681 0.00056065 -0.00023162
-0.04049404 -0.00735922 -0.01825882
19.52592329 18.87634451 -5.37800556
0.00060469 0.00012571 0.00010110
-0.02026488 -0.04640235 0.00193259
2.08079270 14.73370921 -21.48050397
-0.00012630 -0.00016197 0.00016680
-0.01467061 0.00316454 -0.00314516
10.47908522 -5.52587184 0.16380696
0.00003888 -0.00008558 -0.00022044
0.03139236 0.01623697 0.02464762
-16.61089365 -5.50663320 4.92818572
0.00002627 -0.00013500 -0.00019833
0.00240773 0.00068170 -0.00024187
-14.28282028 -1.53479366 20.73071827
0.00005274 0.00012722 -0.00004229
0.00746428 -0.00912260 -0.00983824
1.03048022 3.64057202 -4.71866171
-0.00024255 0.00017554 -0.00022036
-0.02520939 -0.01912325 0.00809403
20.99198096 -9.65024547 -3.99754644
-0.00015586 0.00011809 -0.00015591
0.04151472 0.00732043 -0.05319480
2.84940760 -10.81644842 6.83020316
0.00002758 -0.00011402 -0.00019447
0.00116724 -0.00985740 0.00764348
-1.71812459 -1.65134754 -19.57442023
-0.00014828 -0.00038234 0.00023768
-0.02622469 -0.03005513 -0.01768119
-0.67255595 4.97419129 -11.26681918
0.00016482 0.00031934 -0.00000793
0.04572389 0.03164658 -0.02465580
-4.90970449 15.48659741 13.45430930
0.00011234 0.00006952 0.00016546
0.01034715 -0.00212831 0.02350317
-4.95820850 3.03301610 -7.68369677
-0.00001664 0.00000554 -0.00057382
-0.00609150 0.00645894 0.00418659
-8.68451872 0.17948015 -4.54838766
0.00012778 -0.00024625 0.00013742
0.01779785 0.00113295 -0.01087144
2.91756161 27.88895541 5.75237455
0.00004291 0.00000203 -0.00021050
-0.00887064 0.02387280 -0.03746463
8.73980132 -9.70954521 -2.07971512
-0.00000609 0.00043216 -0.00005135
-0.03064863 -0.03384206 -0.01248499
-6.46626500 1.29780852 9.73806291
0.00046148 0.00009028 0.00031394
-0.00353187 0.03766633 0.00677191
19.74863405 9.67235314 6.20709105
0.00008296 -0.00025862 -0.00036237
-0.06524737 -0.01960433 0.00956302
-3.38455804 0.69134302 -24.30384291
-0.00027596 -0.00006758 -0.00020348
-0.00612550 -0.00184745 0.01433000
-13.59660875 8.43575688 9.50287410
-0.00008717 0.00004027 -0.00005979
-0.00285965 -0.01665853 0.00387809
-13.89878922 5.79992920 -3.93716069
0.00001977 0.00004707 0.00003391
0.01349378 -0.00585656 -0.00515678
-3.79859719 -15.14637669 21.12428485
-0.00002899 0.00016639 0.00011021
0.00203468 0.00085031 0.01529855
-6.18008269 8.47166547 -6.73771270
-0.00032898 0.00013606 0.00047030
-0.00365647 0.00503804 0.00691661
-19.78997014 30.20679289 1.16217202
-0.00013063 0.00011483 0.00018952
0.02139229 0.01271141 0.00779578
10.36650571 3.54232804 8.14780266
-0.00019846 -0.00003375 -0.00008163
0.02705475 0.05358219 0.03718163
7.47638878 16.49587123 -11.70681560
-0.00002685 0.00006913 -0.00016206
0.01411020 0.01241950 -0.00587644
13.99526727 4.61515304 -0.86549607
0.00010730 -0.00001240 0.00028447
0.00305497 -0.02997066 0.02769647
-5.53584159 11.92134445 -1.32086968
-0.00028505 -0.00029209 0.00013720
-0.03023788 0.01271123 0.02601185
8.19204060 11.82963189 4.98319778
0.00026378 -0.00084139 -0.00008408
-0.00378989 -0.03172506 0.00678103
19.83243269 -11.19370067 -10.36157776
0.00007134 0.00023920 -0.00035827
0.01805053 -0.03794179 -0.00822981
19.09573466 -5.93780299 -0.29082292
0.00032221 0.00010505 0.00023120
-0.00263379 -0.00259234 0.02138233
16.02370336 7.70544518 9.59104166
-0.00017648 -0.00011788 0.00007116
-0.00321775 -0.00017716 -0.01494675
3.91188824 -14.49769874 16.59680339
-0.00024693 -0.00025045 0.00011616
0.01492742 0.02078839 -0.01712409
-3.43503197 -2.44465292 -13.73629028
-0.00050977 -0.00023875 -0.00032998
0.02233165 0.02538144 -0.00529631
16.10757302 -6.77558869 -13.39137651
0.00032597 0.00053031 0.00038655
0.00363600 -0.01051589 0.00355931
10.63680654 -4.31460193 6.31493368
-0.00025657 -0.00012504 0.00046265
0.02372782 -0.01173488 -0.00071510
-19.54166343 0.84568932 24.95205257
0.00010666 -0.00011668 0.00029969
-0.01037062 -0.03367974 -0.02012406
24.06949360 -0.78177053 -7.55792992
0.00002973 0.00008783 0.00016944
-0.00976389 0.00137399 0.02535031
11.47714576 -9.81655956 -11.25164136
-0.00004839 0.00014241 0.00002226
0.04021686 0.01292849 0.01535721
-9.69381364 -9.92171962 16.49341030
-0.00000527 -0.00000550 0.00046075
-0.00471398 -0.00026322 0.00128299
7.35830207 0.34931734 -28.54603032
0.00006503 -0.00035061 -0.00014231
-0.00841761 -0.00264409 0.01169743
12.59040315 17.74068032 12.22669955
-0.00003566 0.00012564 0.00001501
0.02821721 0.02510977 -0.01108632
25.92584133 7.34216026 -11.06857907
-0.00001471 0.00012963 -0.00025334
-0.01997169 0.00181878 -0.00142296
3.74648951 -29.94389794 -4.78489715
-0.00090761 0.00044461 -0.00055524
0.01219361 0.00337846 -0.00641167
3.46240178 -30.83622189 -2.15861886
-0.00012237 0.00001605 0.00034068
-0.00548483 0.00323946 0.02116233
-9.93119713 3.41451369 -8.66946552
-0.00003955 -0.00094155 -0.00083819
0.01133472 0.00897890 0.01110324
-11.37682528 2.72638281 -11.05248897
-0.00006361 -0.00041406 0.00012072
-0.01162076 0.00725338 -0.02879889
-37.23955865 3.54132510 3.22438817
0.00080700 0.00036940 -0.00065620
-0.00139191 0.01304699 -0.00573122
-38.79153857 1.13594870 3.45902147
0.00047289 0.00156901 0.00057706
-0.00435431 -0.00481154 0.00190953
-8.71262066 -3.78905228 1.54590856
-0.00029499 0.00005987 0.00008884
-0.01419743 -0.00441248 0.00351354
-6.37223592 -4.68836691 2.69249641
0.00015532 0.00005384 -0.00050176
0.00515970 -0.00141326 0.00917901
3.53534443 -1.23172290 9.07092282
0.00071284 -0.00080634 -0.00039729
-0.01177928 0.00662123 0.00685485
2.22937452 1.23967349 8.55606898
-0.00072663 -0.00079562 -0.00057329
-0.00522852 0.01772143 -0.00748189
-30.90552677 -0.43778349 3.63643019
0.00021195 -0.00091874 0.00056795
0.00450420 0.01910236 0.00045299
-32.94501851 1.52528655 3.01288022
0.00035018 0.00044758 0.00035385
-0.01327616 0.00081557 0.00291816
15.20490430 11.91486935 -18.23735506
0.00210174 0.00036851 -0.00056820
0.01473362 0.02097919 0.00939598
17.89511976 12.37486407 -17.17225111
-0.00018642 -0.00026226 -0.00031925
-0.00802827 -0.00048168 -0.00594108
-2.97510726 6.63998255 5.32740284
-0.00014310 -0.00033296 -0.00004192
0.00304915 -0.01871174 -0.01935367
-3.68420481 5.42685757 2.75645168
-0.00055361 0.00014674 0.00053620
0.00380537 0.00696016 -0.01214316
5.63349344 16.64883869 -8.06851207
0.00048423 0.00073115 0.00089775
-0.01813414 0.01075598 0.02210754
5.99157366 18.72573375 -6.26644854
-0.00092538 -0.00059517 0.00055930
0.01803907 0.02631327 0.01503476
8.48357068 6.59982985 -22.90126152
0.00054985 -0.00044561 0.00005675
0.00797209 -0.00013517 0.01228340
9.69518869 7.49891529 -20.14234540
-0.00042349 -0.00028881 0.00108236
0.02605264 0.00691340 0.00297769
19.36787438 19.98493620 -3.99517099
0.00041272 -0.00089429 -0.00022519
-0.00361687 0.02886460 0.01810122
20.58912132 19.64827721 -6.54915883
0.00030290 -0.00075796 -0.00036117
0.02553658 0.02103941 -0.02124948
1.89901772 13.06563337 -20.77400604
0.00086192 -0.00055981 -0.00032148
-0.00160263 -0.00010653 0.00592069
0.30467584 15.29249907 -21.81027255
-0.00028484 0.00105933 -0.00059588
0.01383720 -0.00440637 0.00041795
9.83508229 -7.01686556 -0.53401093
-0.00017212 -0.00064586 0.00024177
-0.01106172 -0.03242693 -0.01523525
9.35952573 -4.25939825 -0.43307386
-0.00048577 0.00009404 0.00012886
-0.01461853 0.02229959 -0.00770172
-17.06025238 -6.30627356 6.51634488
0.00066568 -0.00050496 -0.00050029
-0.00394144 0.00248675 -0.00585207
-17.98577165 -5.67401173 3.72237699
0.00053688 0.00127804 0.00032969
0.00117405 -0.00447370 0.00619371
-14.43112411 -0.74211925 19.08236097
0.00073679 -0.00136884 0.00061183
-0.00325219 0.00401330 -0.00001208
-14.92496087 -0.42753718 21.98823142
0.00003819 -0.00017768 -0.00061035
-0.00662764 0.01155449 0.00904086
-0.28195413 3.11124430 -3.46356155
-0.00021472 -0.00121993 -0.00000051
0.01979164 0.01075473 -0.01681626
0.92708337 2.25166411 -5.95932990
-0.00074604 0.00000305 0.00033979
0.00613953 0.00596535 0.01080807
20.42106979 -9.06220330 -5.67675747
-0.00068771 0.00023208 -0.00057902
-0.00953322 -0.00813706 0.01758269
22.87800579 -9.72214755 -4.54025161
0.00054323 0.00078480 -0.00010842
-0.04019181 -0.00457932 0.03036916
4.51934290 -11.29035780 6.15403365
-0.00107390 0.00029944 0.00158302
-0.01247874 0.00358105 0.01160651
2.57230517 -11.70988897 8.44862040
-0.00024439 0.00047188 -0.00065831
0.01333240 0.01036613 -0.01684581
-2.63587361 -3.18864894 -20.23199301
0.00005751 0.00132101 -0.00009051
0.02265520 0.01756963 0.00013830
-2.52175396 -1.45260469 -17.96618928
-0.00049606 0.00016096 0.00039893
-0.00119252 0.00829511 0.01343544
1.16223861 5.51436909 -11.02258025
-0.00046769 0.00008027 -0.00024207
-0.02965521 -0.00260972 -0.02104840
-0.82415615 4.19465065 -9.71653227
0.00076367 0.00058675 -0.00054018
-0.02498872 -0.02677477 0.04474259
-3.89884693 16.21811079 14.84360742
-0.00103408 0.00018372 -0.00090155
-0.01490860 0.00056982 -0.01185554
-6.65707722 15.69131057 13.96833699
0.00007711 0.00067370 -0.00048323
0.00387796 0.00276862 0.00323678
-5.73317512 1.93640765 -6.44722459
0.00073337 0.00071870 -0.00010028
0.00075471 -0.00328754 -0.00116868
-5.70390590 2.51113188 -9.28783219
0.00009710 -0.00047834 0.00009279
0.00635599 -0.00349885 -0.00416958
-9.60202950 -1.24747816 -4.01948186
0.00040176 -0.00078436 -0.00069977
-0.00922832 -0.02897217 0.00077467
-9.36736380 1.39578274 -3.45034016
-0.00035583 0.00004969 0.00113580
-0.00733192 0.03096128 0.01600723
2.33917223 29.23476059 4.49980252
0.00058496 -0.00061146 0.00016070
0.00957140 -0.03549357 0.01822627
2.84768567 28.79166302 7.29456381
-0.00065600 -0.00086044 0.00057700
-0.00196331 0.00075565 0.01796817
7.26811120 -10.21058308 -3.22673780
-0.00019372 -0.00075728 -0.00025804
0.02612501 0.01951136 0.03049832
8.71658531 -11.00293986 -0.74180383
0.00005710 -0.00007203 -0.00010473
0.00034080 0.00737791 -0.01070099
-5.24413025 -0.03004627 9.42250745
-0.00078777 0.00008950 0.00088513
-0.00441086 -0.02145123 -0.00344126
-8.18602607 0.86134834 10.10018489
-0.00022989 0.00008300 -0.00001498
0.00341861 -0.01667093 -0.00366653
19.41854849 9.33937074 7.98892233
-0.00016840 0.00033527 -0.00086297
0.00355567 0.00702468 -0.00453905
21.33551484 10.29153530 5.95912297
-0.00085358 -0.00012233 0.00015486
0.06609953 0.02101793 -0.00152301
-2.81826230 0.24753924 -22.59544391
0.00031827 0.00021802 0.00145360
-0.00027873 0.00264686 -0.00306549
-5.21690203 0.83184262 -24.13073391
0.00111843 -0.00061292 -0.00044524
0.01039820 -0.00150007 -0.00676344
-12.57770357 9.39643098 10.68051536
-0.00052433 0.00021380 0.00003922
0.00156146 0.00542324 -0.00441256
-13.47182805 9.40443583 7.97246018
0.00036144 0.00013762 0.00045388
-0.00147851 0.01080499 -0.00919272
-13.77814070 4.13461543 -4.76808806
0.00040210 -0.00094691 -0.00055271
-0.00834903 0.02137404 0.00640540
-15.09319521 6.91373582 -4.83520107
0.00105603 0.00023596 -0.00014001
-0.00296370 -0.02139394 0.00302770
-5.31277889 -16.19079443 21.28489648
-0.00024942 -0.00023335 0.00063345
-0.00445954 0.00220143 -0.00495225
-3.13139847 -15.58368294 19.51705406
0.00048543 0.00036423 0.00009686
0.00656892 -0.00151815 -0.01262303
-6.42773605 6.70619529 -6.36924416
-0.00042762 0.00058753 -0.00065204
0.00621041 -0.00499290 -0.00143264
-7.05708912 9.39600409 -5.38916115
-0.00058905 -0.00003986 0.00040325
0.00152255 -0.00209360 -0.01534128
-20.51553890 31.03851605 -0.26902371
-0.00015115 0.00013934 0.00063702
-0.00532847 -0.00036639 -0.00493089
-18.03060300 30.81451918 1.26773009
0.00074913 0.00043361 -0.00067779
-0.01308080 -0.01241435 -0.00453055
9.34787913 2.86236189 6.88534283
0.00024979 0.00090032 0.00036627
-0.03013124 -0.01573546 -0.03164990
9.92128767 5.39604407 8.42644573
0.00007913 0.00109199 0.00007580
-0.00165322 -0.03210777 -0.00702675
8.62034791 17.61906621 -12.71143192
-0.00027561 0.00066587 0.00100220
-0.01670675 -0.01266993 0.00711348
8.74861203 15.28700809 -11.17309485
0.00002808 -0.00032899 -0.00001256
-0.00413709 -0.00379857 0.00192622
12.88090623 5.80997139 -0.03632424
0.00023455 -0.00186275 0.00053717
0.00247129 0.00303748 -0.00239959
14.28579817 3.36385559 0.56788235
-0.00002451 0.00053147 0.00068066
-0.00997317 0.01768267 -0.01956885
-4.31922257 11.42739399 -2.49980452
-0.00049007 0.00107970 -0.00174071
0.02962037 -0.00885476 -0.02490843
-5.54261735 10.50176949 -0.16859405
-0.00026360 -0.00005100 -0.00004256
-0.00191422 0.00053298 -0.00148715
7.97985677 13.57267606 4.73611643
-0.00029711 0.00045266 -0.00023417
-0.00729535 0.03408756 -0.00225107
9.89109342 11.43507766 4.47394024
0.00069421 0.00017169 0.00011145
0.00687493 -0.00487428 -0.00295255
18.44733520 -11.72438832 -9.29093326
-0.00022021 0.00062131 0.00080631
-0.00138238 0.00513223 0.00692786
20.65325298 -12.89088252 -10.67066125
0.00039364 -0.00084043 -0.00039225
-0.01077834 0.02841055 0.00817535
18.96509490 -5.41428079 -2.00644874
-0.00076679 0.00103456 -0.00000800
0.00439376 0.00329266 -0.01581771
18.16245050 -7.56581678 -0.27404483
0.00001183 0.00080427 -0.00036444
0.00033378 0.00106723 -0.00014044
15.34695825 9.38666908 9.41142248
-0.00014898 -0.00073685 -0.00035752
-0.00283335 -0.00221159 0.00398251
16.38747413 7.42663254 11.33173076
0.00054289 0.00036208 -0.00030454
0.00002573 0.00196109 0.01371441
2.66647626 -15.86501112 16.94223406
0.00013190 -0.00020879 0.00086644
-0.00264781 0.01794907 0.01073418
3.69945460 -12.69673619 17.09066042
0.00013087 -0.00031753 0.00009528
-0.01560910 -0.03059789 0.00142001
-4.00649875 -4.14849649 -13.49925846
0.00024149 -0.00043973 -0.00020581
-0.00904099 -0.01891750 0.00281146
-1.65622954 -2.30765341 -13.28986803
-0.00088358 -0.00005887 -0.00032792
-0.00858873 -0.00202092 0.00001405
16.10783122 -7.65123708 -15.06460836
0.00001206 0.00058125 0.00052201
-0.00281763 0.00388916 0.00018790
17.09379953 -7.81940215 -12.22610281
-0.00011394 0.00046012 -0.00015392
-0.00406201 0.00878638 -0.00373749
9.61716996 -4.63303298 4.84895444
0.00084278 0.00018719 0.00006307
-0.01067033 0.00207381 -0.00301950
12.33020837 -4.84339476 5.68947128
0.00019584 -0.00037324 -0.00067910
-0.01963152 0.01383087 0.00922453
-21.07373654 -0.23447003 24.61896526
-0.00048065 0.00058395 -0.00052685
0.02187539 0.01920831 0.01221642
-19.95936763 2.28649542 25.91916819
-0.00026829 0.00074132 -0.00080447
-0.01600450 0.02030600 0.01027951
24.82544248 -2.45397094 -7.33398382
-0.00066860 -0.00058784 0.00040734
0.00149938 0.00380482 -0.00183911
24.14654967 -0.30945989 -9.29838393
-0.00012826 -0.00056656 0.00046670
0.00253518 -0.00201011 -0.02199457
12.64521416 -10.05919254 -9.77136637
0.00005396 -0.00061677 -0.00035663
-0.02312466 0.00720977 -0.01739218
12.38246421 -8.46501114 -12.21157277
0.00032015 0.00000111 0.00054808
-0.01239832 -0.01740299 0.00870628
-9.37906773 -9.14615534 18.14305387
0.00022744 0.00012520 -0.00004318
-0.00716024 -0.00778100 -0.01103188
-11.45778901 -10.48321114 16.51776654
-0.00132246 0.00089971 -0.00022899
0.01897861 0.00881800 0.00890502
8.59602587 0.89631055 -29.81260954
-0.00040452 -0.00157268 -0.00077796
-0.00410001 0.00664552 -0.00245116
5.67296315 1.06871166 -28.77878110
-0.00038098 -0.00016413 -0.00038534
0.01208849 -0.00485262 -0.00671973
12.51635959 19.58478385 12.42881376
0.00003534 -0.00078848 -0.00011113
-0.00554062 -0.01624357 0.00428769
14.18794951 17.59320584 11.22744851
-0.00087939 -0.00048942 -0.00027225
-0.02295236 -0.00464024 0.00749654
27.54061029 7.60675206 -11.83247965
0.00004557 0.00027836 0.00070800
0.02434829 0.00220810 -0.00154479
26.05780559 7.73311334 -9.29035578
-0.00013719 -0.00088866 0.00015835
0.00421840 0.00188013 0.01065840
-7.25893272 4.60404823 6.70271925
0.00029231 -0.00000512 0.00000152
-0.00043845 -0.00741224 -0.00568284
-9.05242945 8.76691675 3.86120889
0.00023802 -0.00003666 0.00004159
-0.00003530 -0.00308516 -0.00284754
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07830868
0.32050335
427.05464179
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.4055156914 (a.u.)
total exchange computation time: 3.1791069508 s
-154.3000677024
-931.39482045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.4050706295 (a.u.)
total exchange computation time: 3.1798648834 s
-154.3040856554
Anderson extrapolation: theta=1.3483081578 (1.3483081578)
-931.39503047
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4043552913 (a.u.)
total exchange computation time: 3.1798779964 s
-154.3103932189
Anderson extrapolation: theta=0.0509530591 (0.0509530591)
-931.39515567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4042275426 (a.u.)
total exchange computation time: 3.1794199944 s
-154.3114621262
Anderson extrapolation: theta=1.8885434389 (1.8885434389)
-931.39516022
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4039563630 (a.u.)
total exchange computation time: 3.1783888340 s
-154.3136839499
Anderson extrapolation: theta=0.2114717450 (0.2114717450)
-931.39516483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.4038877609 (a.u.)
total exchange computation time: 3.1781659126 s
-154.3142037490
Anderson extrapolation: theta=1.8764851446 (1.8764851446)
-931.39516567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4037766688 (a.u.)
total exchange computation time: 3.1789121628 s
-154.3149973348
Anderson extrapolation: theta=0.2825937871 (0.2825937871)
-931.39516669
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4037641996 (a.u.)
total exchange computation time: 3.1797959805 s
-154.3150387543
Anderson extrapolation: theta=1.3269405708 (1.3269405708)
-931.39516692
72.515348 156.947118 -294.321636
548.333617 1079.084839 -415.993174
620.848965 1236.031957 -710.314810
1554.919794
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1619686317
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4037625875 (a.u.)
total exchange computation time: 3.1781020164 s
679.29031273
-1084.75765500
89.77209529
-388.40579314
-174.89036439
78.81463699
551.60419304
0.00000000
-931.39516709
3.83267788 -31.50281838 -3.81544174
-0.00034033 0.00033526 -0.00000247
0.00066053 0.00063188 -0.02097859
-11.12948475 2.26469053 -9.32842672
0.00000247 0.00003343 0.00004076
-0.01091774 -0.02599753 0.01656266
-37.14591468 1.85798346 3.88167050
-0.00005535 -0.00008489 0.00023323
0.02788981 0.00409146 0.00106397
-7.75495961 -3.56721229 3.09790013
0.00001564 -0.00010727 -0.00010026
0.01138228 -0.00447090 -0.01671574
2.17228444 -0.13585964 9.70693855
0.00012336 0.00031576 0.00009245
0.02284886 -0.03252228 -0.00813490
-31.21163736 1.42170679 3.51544266
-0.00021898 -0.00003468 -0.00000564
0.01694260 -0.01983401 -0.00359854
16.40370715 13.33478323 -17.73795192
-0.00011116 -0.00029374 0.00008155
0.00236242 -0.01572645 -0.00629803
-3.21126562 4.98184997 4.42622196
-0.00004502 -0.00002682 -0.00058718
-0.00346297 0.00380423 0.03139971
4.84897800 17.37160326 -6.46763375
0.00000217 0.00004772 -0.00024410
-0.00267976 -0.04218350 -0.04222519
8.25870910 7.05915307 -21.10064630
0.00020585 0.00055685 -0.00024095
-0.04100243 -0.00741284 -0.01803111
19.53491553 18.87805122 -5.37648159
0.00059403 0.00010033 0.00010095
-0.02119975 -0.05230904 -0.00253467
2.07884167 14.73129189 -21.47801407
-0.00013425 -0.00015993 0.00016489
-0.01624585 0.00476180 -0.00429604
10.47978945 -5.52709294 0.16059540
0.00005425 -0.00007742 -0.00020839
0.02840431 0.01549366 0.02222977
-16.61049026 -5.50865560 4.92520985
0.00002904 -0.00013427 -0.00019781
0.00836920 0.00217174 0.00226592
-14.28200031 -1.53292060 20.73004590
0.00005725 0.00012062 -0.00004595
0.01005707 -0.01652769 -0.00436664
1.02674477 3.64313133 -4.72193585
-0.00025617 0.00016538 -0.00021539
-0.02776444 -0.02037369 0.01122130
20.98980326 -9.64844585 -4.00009022
-0.00013445 0.00012220 -0.00018410
0.04174408 0.00866493 -0.05644876
2.84982575 -10.81819674 6.82731556
0.00002567 -0.00011785 -0.00019021
-0.00859217 -0.00503690 0.00893226
-1.72045000 -1.65719851 -19.57092317
-0.00016114 -0.00039583 0.00022991
-0.02378665 -0.02240439 -0.01256606
-0.66990730 4.97910345 -11.26703330
0.00018755 0.00033597 -0.00002191
0.04266339 0.03302329 -0.02967726
-4.90797943 15.48763194 13.45688187
0.00011641 0.00006756 0.00017584
0.00546536 -0.00549152 0.01685553
-4.95848160 3.03312411 -7.69228795
-0.00001904 0.00000961 -0.00057143
-0.00324770 0.00937865 0.00511960
-8.68253333 0.17579081 -4.54636835
0.00013599 -0.00024412 0.00013326
0.01412808 0.00712757 -0.00529868
2.91817104 27.88907796 5.74907247
0.00003875 0.00001364 -0.00022836
-0.00730284 0.02127241 -0.03198622
8.73959175 -9.70319338 -2.08053360
-0.00002247 0.00041398 -0.00005781
-0.03304318 -0.03684222 -0.01263419
-6.45935636 1.29930797 9.74279818
0.00045737 0.00011038 0.00031787
-0.01245142 0.04049991 0.00848237
19.74962670 9.66839829 6.20169245
0.00004772 -0.00026930 -0.00035807
-0.07177350 -0.02195900 0.00715468
-3.38872110 0.69032216 -24.30683982
-0.00027535 -0.00006940 -0.00019376
0.00849534 -0.00522586 0.02346785
-13.59792727 8.43629669 9.50199227
-0.00008863 0.00003139 -0.00005730
-0.00282570 -0.01788227 0.00579513
-13.89844060 5.80061264 -3.93667195
0.00002742 0.00004192 0.00003091
0.01624389 -0.01417600 -0.00649829
-3.79902414 -15.14387750 21.12599696
-0.00002837 0.00016634 0.00011794
0.00034246 -0.00106802 0.01478149
-6.18503154 8.47372579 -6.73063158
-0.00033062 0.00013993 0.00047343
-0.00269908 0.00999870 0.00525815
-19.79184705 30.20856430 1.16504484
-0.00011791 0.00012157 0.00019401
0.02807668 0.01352187 0.00967152
10.36363321 3.54202841 8.14672165
-0.00018354 -0.00000424 -0.00006082
0.03094009 0.06117532 0.04375186
7.47604041 16.49695613 -11.70926920
-0.00001963 0.00007475 -0.00016442
0.01398717 0.00944214 -0.00328276
13.99688853 4.61485145 -0.86112225
0.00011006 -0.00002920 0.00029799
0.00767828 -0.03538106 0.02488237
-5.54023397 11.91701209 -1.31871130
-0.00029948 -0.00028520 0.00014888
-0.02586164 0.01409280 0.01941410
8.19598274 11.81688870 4.98196274
0.00026172 -0.00085447 -0.00008110
-0.00424218 -0.01913825 0.00480596
19.83357249 -11.19025896 -10.36698362
0.00008010 0.00021817 -0.00036187
0.01600391 -0.04386579 -0.00575996
19.10055771 -5.93623729 -0.28727244
0.00032099 0.00010471 0.00024075
-0.00214577 0.00127882 0.01574449
16.02104369 7.70367632 9.59205140
-0.00017788 -0.00011893 0.00006305
-0.00222702 -0.00390868 -0.01660676
3.90824192 -14.50137533 16.59847974
-0.00023903 -0.00023983 0.00010720
0.01576648 0.02051486 -0.01771452
-3.44259243 -2.44813622 -13.74126034
-0.00049886 -0.00022588 -0.00033283
0.02012508 0.02465370 -0.00578504
16.11247658 -6.76767468 -13.38556451
0.00032728 0.00052536 0.00038770
0.00147490 -0.00872272 0.00092096
10.63304958 -4.31652277 6.32187066
-0.00024268 -0.00013140 0.00046204
0.03028005 -0.01301459 -0.00166845
-19.54010349 0.84380915 24.95647033
0.00010075 -0.00013370 0.00028960
-0.01263163 -0.03249475 -0.01913827
24.06990195 -0.78044775 -7.55529059
0.00002494 0.00008767 0.00018336
-0.00887764 -0.00201486 0.02877880
11.47657508 -9.81437352 -11.25124825
-0.00002795 0.00014882 0.00003014
0.03924812 0.01201042 0.01528780
-9.69391084 -9.92180320 16.50032656
-0.00000931 -0.00000639 0.00046058
-0.01098766 -0.00318184 -0.00194275
7.35924505 0.34404795 -28.54811991
0.00005973 -0.00035170 -0.00013621
-0.01219306 -0.00159666 0.01204017
12.58997712 17.74266174 12.22688196
-0.00002182 0.00013682 0.00000957
0.02560261 0.01836671 -0.01009111
25.92554369 7.34411178 -11.07238470
-0.00002532 0.00013061 -0.00025341
-0.02130988 0.00197395 0.00114769
3.73324896 -29.93712528 -4.79342218
-0.00085715 0.00045348 -0.00057646
0.01250604 0.00096300 -0.00397792
3.46039816 -30.83588188 -2.15286019
-0.00014426 0.00002976 0.00042404
-0.00523125 0.00347193 0.01964561
-9.93144305 3.40066563 -8.68169818
0.00001876 -0.00089386 -0.00078595
0.01721034 0.01436644 0.01447046
-11.37813546 2.72039417 -11.05156070
-0.00011162 -0.00038403 0.00000138
-0.01188332 0.00744458 -0.02961541
-37.22749629 3.54726592 3.21436948
0.00080250 0.00041193 -0.00067498
-0.00080924 0.00777359 -0.00345823
-38.78457863 1.15933634 3.46773589
0.00044116 0.00154177 0.00058149
-0.01117711 -0.00852275 0.00025952
-8.71748056 -3.78828948 1.54734881
-0.00035307 0.00004154 0.00010279
-0.01423280 -0.00456062 0.00331348
-6.36974803 -4.68760269 2.68525121
0.00017528 0.00004905 -0.00046410
0.00461084 -0.00092797 0.00925801
3.54567606 -1.24361513 9.06517351
0.00065237 -0.00076843 -0.00036390
-0.01781930 0.01193503 0.00949053
2.21831480 1.22828227 8.54724034
-0.00074725 -0.00071806 -0.00060911
-0.00486518 0.02024272 -0.01005223
-30.90220953 -0.45097923 3.64496338
0.00022719 -0.00082967 0.00056804
0.00295841 0.02449614 -0.00041120
-32.94017261 1.53202526 3.01827739
0.00028681 0.00044997 0.00036321
-0.01774626 0.00035612 0.00166379
15.23688192 11.92103990 -18.24559012
0.00214807 0.00044283 -0.00053439
0.00794631 0.01539862 0.00715469
17.89207750 12.37091541 -17.17722191
-0.00021566 -0.00026393 -0.00034190
-0.00628791 -0.00033384 -0.00514497
-2.97716034 6.63441473 5.32618095
-0.00013027 -0.00040897 -0.00012108
0.00323372 -0.01849548 -0.01939317
-3.69239242 5.42927200 2.76412254
-0.00054206 0.00017899 0.00047249
0.00184967 0.00882688 -0.01904229
5.64020124 16.66013557 -8.05436838
0.00041360 0.00076960 0.00097784
-0.01644027 0.00806566 0.01709927
5.97824567 18.71761257 -6.25759839
-0.00084145 -0.00047403 0.00062405
0.02304515 0.03298209 0.01666133
8.49206268 6.59314150 -22.90003389
0.00058318 -0.00044562 0.00010686
0.00834523 0.00013382 0.01224436
9.68963466 7.49479503 -20.12601879
-0.00031670 -0.00026105 0.00109369
0.02622040 0.00667317 0.00256903
19.37395440 19.97240634 -3.99799415
0.00039794 -0.00076634 -0.00014147
-0.00362132 0.03376995 0.02288003
20.59444730 19.63755245 -6.55522749
0.00040873 -0.00066965 -0.00044878
0.02626938 0.02219372 -0.02163743
1.91189734 13.05723302 -20.77864685
0.00085228 -0.00055776 -0.00029802
-0.00311175 0.00110928 0.00556263
0.30082719 15.30825396 -21.81919788
-0.00022232 0.00103517 -0.00059117
0.01676683 -0.00741790 0.00188505
9.83216150 -7.02754709 -0.53085128
-0.00021486 -0.00077049 0.00018268
-0.00985761 -0.02857987 -0.01368650
9.35179119 -4.25730438 -0.43137702
-0.00054150 0.00017956 0.00009932
-0.01265982 0.01956472 -0.00675568
-17.05038799 -6.31377180 6.50866118
0.00064764 -0.00049614 -0.00052119
-0.00488612 0.00183068 -0.00437818
-17.97768251 -5.65497822 3.72751209
0.00053149 0.00125774 0.00034709
-0.00381076 -0.00546308 0.00232504
-14.42017191 -0.76252884 19.09153809
0.00072152 -0.00134350 0.00059505
-0.00422505 0.00839080 -0.00820147
-14.92459112 -0.42984829 21.97935315
0.00000742 -0.00012436 -0.00056734
-0.00843474 0.01454312 0.01201594
-0.28456842 3.09327492 -3.46408457
-0.00013058 -0.00117204 -0.00007120
0.02139583 0.01268637 -0.01778365
0.91608093 2.25189273 -5.95390189
-0.00071941 0.00002595 0.00037977
0.00689437 0.00524403 0.00876495
20.41046194 -9.05897151 -5.68490404
-0.00072273 0.00019642 -0.00050087
-0.00760789 -0.00931797 0.02067642
22.88492265 -9.71051588 -4.54094724
0.00037434 0.00076562 0.00001598
-0.04248132 -0.00480688 0.03052182
4.50285195 -11.28575651 6.17813462
-0.00110267 0.00030802 0.00161970
-0.00160214 0.00061834 0.00634797
2.56904783 -11.70249311 8.43822952
-0.00019235 0.00051035 -0.00071896
0.01214452 0.00846448 -0.01284160
-2.63431669 -3.16829546 -20.23334647
0.00014215 0.00137908 -0.00009413
0.01877541 0.01085584 -0.00190775
-2.52923144 -1.44993613 -17.95979362
-0.00049818 0.00019347 0.00044791
0.00015735 0.00762169 0.01054231
1.15431456 5.51549317 -11.02685626
-0.00058098 0.00007219 -0.00032804
-0.02580398 -0.00134414 -0.02103305
-0.81346685 4.20263140 -9.72326391
0.00065969 0.00047173 -0.00034715
-0.02591165 -0.02952629 0.04974439
-3.91481497 16.22088399 14.82972088
-0.00108335 0.00019298 -0.00093578
-0.00920890 0.00396364 -0.00489868
-6.65580177 15.70150091 13.96118778
0.00009148 0.00068467 -0.00047015
0.00315550 0.00260195 0.00316535
-5.72215150 1.94708743 -6.44876463
0.00073358 0.00070148 -0.00010074
-0.00064757 -0.00514344 0.00094424
-5.70225467 2.50384963 -9.28656817
0.00012028 -0.00049441 0.00007017
0.00499163 -0.00437078 -0.00690258
-9.59628589 -1.26013143 -4.02995473
0.00036479 -0.00089990 -0.00069664
-0.00886871 -0.02758465 0.00075888
-9.37292593 1.39747682 -3.43281260
-0.00037872 0.00016107 0.00118960
-0.00387086 0.02355875 0.01032614
2.34823987 29.22450111 4.50277158
0.00062100 -0.00074854 0.00022990
0.00807243 -0.03160900 0.01564724
2.83778550 28.77877956 7.30376945
-0.00066407 -0.00085971 0.00064467
-0.00198740 -0.00039881 0.01515514
7.26600596 -10.22134439 -3.22967384
-0.00008353 -0.00067456 -0.00013117
0.02781525 0.02097803 0.03160486
8.71745219 -11.00379427 -0.74370269
0.00005942 -0.00003935 -0.00015023
0.00079649 0.00862130 -0.01157366
-5.25608194 -0.02936111 9.43567900
-0.00079692 -0.00000677 0.00086848
-0.00006740 -0.02567365 -0.00471139
-8.18936963 0.86208246 10.09984778
-0.00020712 0.00001801 -0.00003168
0.00772816 -0.01514357 -0.00450817
19.41613139 9.34461505 7.97583876
-0.00015579 0.00036234 -0.00087342
0.00261690 0.00622557 -0.00057736
21.32473668 10.29034442 5.96139918
-0.00056839 -0.00002999 0.00014569
0.07350243 0.02418101 -0.00296656
-2.81349682 0.25089060 -22.57373383
0.00031010 0.00023373 0.00142064
-0.00371743 0.00504263 -0.01306761
-5.19980700 0.82260291 -24.13761975
0.00113819 -0.00061699 -0.00047055
-0.00072282 -0.00049494 -0.00562530
-12.58552070 9.39980421 10.68096849
-0.00051714 0.00023578 0.00002278
0.00195902 0.00533228 -0.00363401
-13.46645176 9.40683126 7.97898673
0.00035504 0.00018434 0.00041063
-0.00165601 0.01206536 -0.01198079
-13.77236511 4.12106671 -4.77618247
0.00036656 -0.00084626 -0.00052055
-0.00904578 0.02789650 0.00933940
-15.07744557 6.91661968 -4.83720850
0.00103999 0.00015149 -0.00013086
-0.00488640 -0.01995696 0.00145193
-5.31665687 -16.19422717 21.29424642
-0.00026169 -0.00022072 0.00061088
-0.00154382 0.00398114 -0.00609478
-3.12391577 -15.57826597 19.51812014
0.00050988 0.00035811 0.00004851
0.00539963 -0.00147707 -0.01104452
-6.43396011 6.71485530 -6.37906867
-0.00040392 0.00055748 -0.00065520
0.00539542 -0.00971664 -0.00011537
-7.06587821 9.39534205 -5.38358256
-0.00058315 -0.00004878 0.00034117
0.00136368 -0.00227122 -0.01504460
-20.51796942 31.04059487 -0.25961953
-0.00017599 0.00014016 0.00061231
-0.00683170 0.00076777 -0.00716593
-18.01976682 30.82064285 1.25742446
0.00068509 0.00037879 -0.00069561
-0.01827100 -0.01441739 -0.00419506
9.35070273 2.87538444 6.88986705
0.00011709 0.00082981 0.00022507
-0.03482795 -0.01877624 -0.03746925
9.92242394 5.41144002 8.42736741
0.00007429 0.00095162 0.00004627
-0.00071394 -0.03660463 -0.00742907
8.61570178 17.62866607 -12.69618100
-0.00034052 0.00061607 0.00102833
-0.01506788 -0.01171090 0.00568165
8.74890646 15.28195686 -11.17322428
0.00000787 -0.00034052 -0.00000693
-0.00575499 -0.00184774 0.00083218
12.88450017 5.78212324 -0.02834028
0.00023260 -0.00183560 0.00053341
-0.00342277 0.01025122 0.00056158
14.28512493 3.37236946 0.57749266
-0.00006282 0.00059973 0.00060028
-0.00877995 0.01573192 -0.01977948
-4.32566594 11.44331808 -2.52667843
-0.00038014 0.00104586 -0.00182941
0.02418902 -0.00770610 -0.01851100
-5.54662997 10.50102086 -0.16927807
-0.00026899 -0.00005330 -0.00004841
-0.00072464 -0.00165784 -0.00137452
7.97517660 13.58051047 4.73253485
-0.00032411 0.00056640 -0.00023994
-0.00592230 0.02159009 -0.00057091
9.90171720 11.43750364 4.47552151
0.00072033 0.00015215 0.00010006
0.00591014 -0.00468956 -0.00262325
18.44398973 -11.71491145 -9.27862639
-0.00021611 0.00064429 0.00082702
0.00338811 0.00611914 0.00321409
20.65882733 -12.90261833 -10.67629445
0.00034366 -0.00071458 -0.00035638
-0.01368658 0.03319160 0.00938141
18.95372773 -5.39866148 -2.00705337
-0.00074770 0.00104502 -0.00006263
0.00494834 0.00182511 -0.01092427
18.16263811 -7.55372001 -0.27951571
0.00001104 0.00080289 -0.00036396
-0.00072001 -0.00174546 0.00037341
15.34463679 9.37554853 9.40618169
-0.00016358 -0.00073781 -0.00034202
-0.00431682 0.00174029 0.00360650
16.39561827 7.43212377 11.32758286
0.00054405 0.00036955 -0.00024450
0.00054036 0.00169575 0.01567813
2.66837356 -15.86759293 16.95555963
0.00012007 -0.00013621 0.00091015
-0.00314302 0.01757913 0.01066069
3.70093927 -12.70243680 17.09213310
0.00006640 -0.00044078 0.00010182
-0.01594747 -0.02973319 0.00178333
-4.00315341 -4.15567214 -13.50225949
0.00020397 -0.00051627 -0.00019454
-0.00932539 -0.01854918 0.00270420
-1.66974645 -2.30859837 -13.29478642
-0.00091290 -0.00006606 -0.00032668
-0.00576525 -0.00150044 0.00059335
16.10792571 -7.64239921 -15.05677251
0.00000025 0.00059657 0.00052214
-0.00296254 0.00361156 -0.00012403
17.09196595 -7.81223107 -12.22852618
-0.00012609 0.00049145 -0.00016389
-0.00188505 0.00654923 -0.00114303
9.62948463 -4.63016165 4.84980799
0.00079382 0.00019531 0.00004679
-0.01329550 0.00190351 -0.00495077
12.33254440 -4.84856953 5.67956751
0.00010852 -0.00031371 -0.00063609
-0.02311424 0.01530853 0.01182706
-21.08027593 -0.22512217 24.61143684
-0.00038868 0.00066319 -0.00047627
0.02314492 0.01957820 0.01254169
-19.96388240 2.29823753 25.90741617
-0.00033228 0.00082107 -0.00076510
-0.01531694 0.01872852 0.00899324
24.81545945 -2.46267197 -7.32793007
-0.00066409 -0.00056744 0.00039902
0.00070978 0.00618000 -0.00223207
24.14470343 -0.31801983 -9.29205739
-0.00011771 -0.00057262 0.00037036
0.00262770 -0.00095923 -0.02516353
12.64531494 -10.06822321 -9.77724878
-0.00003934 -0.00058768 -0.00042529
-0.02254649 0.00703026 -0.01621914
12.38688647 -8.46552773 -12.20308483
0.00027001 -0.00006782 0.00058138
-0.01214115 -0.01634132 0.00759558
-9.37587554 -9.14451576 18.14206813
0.00019805 0.00009547 -0.00008278
-0.00722606 -0.00677019 -0.00835228
-11.47704434 -10.46944525 16.51460450
-0.00123161 0.00093970 -0.00019162
0.02549345 0.01075817 0.00939002
8.58983237 0.87292401 -29.82435406
-0.00041984 -0.00154424 -0.00078912
-0.00339570 0.00727466 -0.00301272
5.66761894 1.06610106 -28.78476715
-0.00032535 -0.00018700 -0.00041198
0.01514113 -0.00634220 -0.00631996
12.51671990 19.57245895 12.42727821
0.00001239 -0.00084103 -0.00009217
-0.00569439 -0.00948273 0.00499424
14.17405529 17.58572231 11.22359453
-0.00096722 -0.00050813 -0.00024532
-0.02003915 -0.00451903 0.00568246
27.54203992 7.61099506 -11.82190698
0.00014861 0.00028779 0.00069885
0.02609066 0.00240751 -0.00293529
26.05587702 7.71984103 -9.28765394
-0.00012102 -0.00088156 0.00019937
0.00369450 0.00159732 0.00941989
-7.25454932 4.60395148 6.70272678
0.00029212 -0.00000778 -0.00000052
-0.00061559 -0.00742640 -0.00568944
-9.04885915 8.76636145 3.86182784
0.00023802 -0.00003744 0.00004095
-0.00003802 -0.00362593 -0.00271073
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07831957
0.31684752
422.18342886
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4168323597 (a.u.)
total exchange computation time: 3.1209368706 s
-154.3424456892
-931.38938974
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4162398730 (a.u.)
total exchange computation time: 3.1188240051 s
-154.3476166909
Anderson extrapolation: theta=1.3496513418 (1.3496513418)
-931.38961172
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4153263148 (a.u.)
total exchange computation time: 3.1225697994 s
-154.3554737827
Anderson extrapolation: theta=0.0515015163 (0.0515015163)
-931.38974446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4151903260 (a.u.)
total exchange computation time: 3.1198890209 s
-154.3566150736
Anderson extrapolation: theta=1.9091908353 (1.9091908353)
-931.38974941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4149049388 (a.u.)
total exchange computation time: 3.1204330921 s
-154.3589770963
Anderson extrapolation: theta=0.2144106308 (0.2144106308)
-931.38975456
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4148366608 (a.u.)
total exchange computation time: 3.1195809841 s
-154.3595120181
Anderson extrapolation: theta=1.8742659082 (1.8742659082)
-931.38975552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4147300295 (a.u.)
total exchange computation time: 3.1196310520 s
-154.3603109075
Anderson extrapolation: theta=0.2816925464 (0.2816925464)
-931.38975674
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4147220373 (a.u.)
total exchange computation time: 3.1219739914 s
-154.3603341831
Anderson extrapolation: theta=1.3247156239 (1.3247156239)
-931.38975703
72.565727 156.966512 -294.277821
548.292154 1079.093468 -415.998513
620.857881 1236.059980 -710.276335
1554.928054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0634447674
ExchangeOperator: pair fraction: ispin=0: 0.1616224986
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4147283652 (a.u.)
total exchange computation time: 3.1201038361 s
679.46753197
-1085.13548994
89.75818130
-388.14621163
-174.91904059
79.02428675
551.60419304
0.00000000
-931.38975725
3.82757552 -31.49778707 -3.81555972
-0.00034015 0.00033620 -0.00001332
0.00001256 0.00302267 -0.02120768
-11.12948989 2.26509169 -9.32775137
-0.00000453 0.00001883 0.00004839
-0.01626721 -0.03076669 0.01308971
-37.14663732 1.85672590 3.88517311
-0.00003928 -0.00008047 0.00023356
0.03460888 0.01307663 0.00020941
-7.75468112 -3.56883855 3.09633180
0.00002156 -0.00010964 -0.00010881
0.01163988 -0.00475535 -0.01654715
2.17422305 -0.13124869 9.70829388
0.00013637 0.00029738 0.00008822
0.02771905 -0.03896300 -0.00829753
-31.21485671 1.42111015 3.51534412
-0.00020884 -0.00004595 -0.00000699
0.02248045 -0.02401241 -0.00163403
16.40204892 13.33031640 -17.73675293
-0.00010851 -0.00029999 0.00007889
0.00794181 -0.00856014 -0.00404540
-3.21195434 4.98146228 4.41753544
-0.00004635 -0.00002553 -0.00056950
-0.00168935 0.00123973 0.03735472
4.84900021 17.37215636 -6.47145809
-0.00000086 0.00002537 -0.00026469
-0.00909810 -0.04473849 -0.03785573
8.26163872 7.06747718 -21.10433016
0.00018490 0.00055312 -0.00024994
-0.04045730 -0.00708030 -0.01692556
19.54374423 18.87935438 -5.37497718
0.00058313 0.00007233 0.00009845
-0.02121177 -0.05656878 -0.00717402
2.07676532 14.72891131 -21.47555732
-0.00014288 -0.00015714 0.00016242
-0.01731546 0.00608023 -0.00529543
10.48071280 -5.52819452 0.15755534
0.00006785 -0.00006978 -0.00019775
0.02448980 0.01422561 0.01915231
-16.61002231 -5.51066124 4.92225146
0.00003490 -0.00013280 -0.00019600
0.01440667 0.00355406 0.00476016
-14.28110276 -1.53117505 20.72933985
0.00006301 0.00011034 -0.00004658
0.01232256 -0.02344808 0.00189725
1.02279513 3.64553346 -4.72512342
-0.00027095 0.00015470 -0.00020890
-0.02970977 -0.02117611 0.01402675
20.98794761 -9.64657938 -4.00306949
-0.00011313 0.00012695 -0.00021372
0.04115243 0.00978807 -0.05873585
2.85017762 -10.81998393 6.82449686
0.00001848 -0.00011906 -0.00018537
-0.01933744 0.00032655 0.00989831
-1.72295892 -1.66322231 -19.56752305
-0.00017260 -0.00040512 0.00022496
-0.02075516 -0.01374294 -0.00668299
-0.66692952 4.98427037 -11.26747637
0.00020838 0.00035291 -0.00003788
0.03834898 0.03286090 -0.03244015
-4.90621220 15.48862411 13.45958448
0.00011783 0.00006374 0.00018262
0.00006608 -0.00934238 0.00951639
-4.95877975 3.03330447 -7.70083964
-0.00002001 0.00001517 -0.00056857
-0.00050753 0.01222840 0.00600955
-8.68043896 0.17215645 -4.54438992
0.00014216 -0.00023912 0.00013209
0.00984668 0.01234412 0.00073917
2.91872412 27.88936461 5.74552361
0.00003547 0.00002374 -0.00024306
-0.00544772 0.01802049 -0.02517557
8.73912727 -9.69712577 -2.08144954
-0.00003987 0.00039441 -0.00006427
-0.03462128 -0.03926920 -0.01246243
-6.45254379 1.30111986 9.74759890
0.00044884 0.00013184 0.00032262
-0.02073935 0.04294627 0.00998728
19.75006564 9.66427404 6.19634905
0.00001008 -0.00028084 -0.00035524
-0.07459458 -0.02291094 0.00382357
-3.39281863 0.68926098 -24.30965569
-0.00026710 -0.00007285 -0.00017967
0.02359176 -0.00817418 0.03130827
-13.59926758 8.43669855 9.50115514
-0.00009006 0.00002198 -0.00005394
-0.00274172 -0.01871223 0.00727415
-13.89796667 5.80118671 -3.93623333
0.00003648 0.00003271 0.00002737
0.01898554 -0.02164079 -0.00728001
-3.79944844 -15.14138655 21.12782311
-0.00002856 0.00016528 0.00012530
-0.00105654 -0.00304203 0.01383855
-6.19000121 8.47586324 -6.72350988
-0.00033171 0.00014624 0.00047566
-0.00154539 0.01456889 0.00343475
-19.79350736 30.21044004 1.16799226
-0.00010200 0.00012870 0.00019937
0.03378424 0.01418494 0.01117017
10.36099939 3.54220073 8.14597817
-0.00016693 0.00002866 -0.00003711
0.03366957 0.06677440 0.04844120
7.47579995 16.49811387 -11.71174813
-0.00001257 0.00007877 -0.00016539
0.01344958 0.00617039 -0.00051631
13.99856902 4.61427690 -0.85655647
0.00011519 -0.00004865 0.00030990
0.01228736 -0.04024228 0.02143768
-5.54482586 11.91278846 -1.31640314
-0.00031146 -0.00027762 0.00015691
-0.02075501 0.01537691 0.01177414
8.19989215 11.80399786 4.98076477
0.00025947 -0.00086113 -0.00007914
-0.00451206 -0.00677291 0.00281004
19.83483576 -11.18715566 -10.37243391
0.00008772 0.00019438 -0.00036415
0.01363032 -0.04864188 -0.00311979
19.10536422 -5.93466172 -0.28360051
0.00031999 0.00010640 0.00024733
-0.00174159 0.00529536 0.00984377
16.01836684 7.70187732 9.59293302
-0.00017875 -0.00012193 0.00005425
-0.00112131 -0.00774397 -0.01759806
3.90471723 -14.50489367 16.60001942
-0.00023072 -0.00022952 0.00009791
0.01656593 0.01956318 -0.01842974
-3.44999763 -2.45142932 -13.74627503
-0.00048921 -0.00021358 -0.00033592
0.01736470 0.02317035 -0.00624648
16.11739151 -6.75982795 -13.37974541
0.00032745 0.00052140 0.00038747
-0.00081229 -0.00668552 -0.00183189
10.62952622 -4.31854401 6.32879476
-0.00022573 -0.00013837 0.00046092
0.03561922 -0.01407706 -0.00265431
-19.53864100 0.84167829 24.96074045
0.00009375 -0.00014975 0.00028019
-0.01459049 -0.02989686 -0.01745010
24.07024181 -0.77914051 -7.55242925
0.00002059 0.00008585 0.00019881
-0.00804267 -0.00503375 0.03131205
11.47630719 -9.81209482 -11.25073721
-0.00000821 0.00015469 0.00003791
0.03751036 0.01078691 0.01494242
-9.69409282 -9.92191132 16.50722783
-0.00001638 -0.00000872 0.00045868
-0.01651622 -0.00587079 -0.00547122
7.36009397 0.33876625 -28.55011662
0.00005264 -0.00035229 -0.00012996
-0.01538482 -0.00068909 0.01228326
12.58974861 17.74478484 12.22698652
-0.00000946 0.00014437 0.00000471
0.02246692 0.01100126 -0.00877913
25.92508164 7.34607852 -11.07618147
-0.00003640 0.00013171 -0.00025219
-0.02176425 0.00229634 0.00360354
3.72077486 -29.93029361 -4.80219101
-0.00080546 0.00045252 -0.00058768
0.01279991 -0.00143120 -0.00151241
3.45807393 -30.83532909 -2.14589751
-0.00016488 0.00004405 0.00049985
-0.00486122 0.00352237 0.01746232
-9.93063421 3.38769803 -8.69304400
0.00010022 -0.00082521 -0.00072077
0.02266234 0.01923636 0.01743319
-11.38017393 2.71486178 -11.05244744
-0.00016029 -0.00035372 -0.00011912
-0.01194216 0.00739331 -0.02937189
-37.21548353 3.55368314 3.20413885
0.00080020 0.00043279 -0.00068432
-0.00031660 0.00243694 -0.00111267
-38.77830369 1.18220166 3.47646621
0.00038136 0.00149976 0.00057924
-0.01809758 -0.01204007 -0.00136187
-8.72321273 -3.78780619 1.54899214
-0.00041101 0.00002254 0.00011612
-0.01412922 -0.00473617 0.00321244
-6.36697756 -4.68689534 2.67857341
0.00019286 0.00004628 -0.00042623
0.00399687 -0.00042843 0.00927943
3.55491561 -1.25477591 9.06000585
0.00056914 -0.00071021 -0.00032060
-0.02292155 0.01656648 0.01170278
2.20695692 1.21813165 8.53779564
-0.00076653 -0.00063183 -0.00065423
-0.00456864 0.02196729 -0.01203302
-30.89871098 -0.46267369 3.65347137
0.00023634 -0.00072035 0.00056462
0.00151886 0.02901978 -0.00126387
-32.93641431 1.53878579 3.02377653
0.00020620 0.00045046 0.00036778
-0.02171353 -0.00011775 0.00057074
15.26934653 11.92815416 -18.25338670
0.00216519 0.00049219 -0.00051089
0.00043141 0.00876470 0.00434842
17.88864989 12.36694630 -17.18250802
-0.00023731 -0.00026515 -0.00036105
-0.00430774 -0.00026719 -0.00423193
-2.97901524 6.62771339 5.32377052
-0.00011652 -0.00048297 -0.00019960
0.00349374 -0.01772936 -0.01904529
-3.70046667 5.43222740 2.77062636
-0.00053835 0.00021860 0.00038175
-0.00003409 0.01055881 -0.02537719
5.64590147 16.67192676 -8.03917674
0.00035097 0.00079638 0.00103585
-0.01421573 0.00504206 0.01129304
5.96633004 18.71151274 -6.24772712
-0.00073915 -0.00032806 0.00069520
0.02703139 0.03847321 0.01816837
8.50106612 6.58646135 -22.89805584
0.00061795 -0.00044467 0.00015632
0.00867472 0.00032931 0.01196687
9.68568757 7.49108375 -20.10953474
-0.00021128 -0.00023484 0.00110210
0.02538753 0.00615865 0.00155052
19.37981248 19.96194611 -3.99941508
0.00038333 -0.00062009 -0.00004032
-0.00352984 0.03781718 0.02663251
20.60138324 19.62818786 -6.56262221
0.00051537 -0.00057821 -0.00053551
0.02593317 0.02256299 -0.02081759
1.92458625 13.04890065 -20.78294675
0.00083659 -0.00055056 -0.00027610
-0.00456997 0.00241175 0.00516921
0.29800611 15.32355423 -21.82800768
-0.00014897 0.00099909 -0.00058069
0.01914291 -0.01024505 0.00324782
9.82863657 -7.03998018 -0.52853042
-0.00025180 -0.00087712 0.00013078
-0.00822480 -0.02361944 -0.01172189
9.34328076 -4.25401146 -0.43009422
-0.00058821 0.00025275 0.00007409
-0.01020461 0.01626076 -0.00559564
-17.04082305 -6.32115785 6.50070915
0.00062577 -0.00049010 -0.00053585
-0.00582301 0.00112922 -0.00279623
-17.96982692 -5.63627951 3.73278967
0.00050558 0.00123369 0.00034849
-0.00887452 -0.00631030 -0.00163990
-14.40947865 -0.78242420 19.10021257
0.00070244 -0.00130036 0.00054422
-0.00511308 0.01272566 -0.01668050
-14.92473831 -0.43126811 21.97121129
-0.00003023 -0.00005973 -0.00051322
-0.00999346 0.01709668 0.01447383
-0.28587145 3.07608303 -3.46569748
-0.00004105 -0.00111669 -0.00014471
0.02242626 0.01441045 -0.01820093
0.90550102 2.25244273 -5.94793671
-0.00068977 0.00004541 0.00041097
0.00761758 0.00428196 0.00650545
20.39938783 -9.05631079 -5.69178343
-0.00075017 0.00015644 -0.00041137
-0.00582542 -0.01024951 0.02313155
22.88923599 -9.69917882 -4.53977231
0.00019807 0.00074549 0.00014026
-0.04380273 -0.00504889 0.03031376
4.48626280 -11.28111732 6.20262462
-0.00108454 0.00030395 0.00163433
0.01047678 -0.00260690 0.00081489
2.56653478 -11.69457850 8.42705162
-0.00014563 0.00054043 -0.00076195
0.01072241 0.00625941 -0.00820204
-2.63160910 -3.14727667 -20.23481685
0.00020951 0.00140795 -0.00010704
0.01419688 0.00327947 -0.00441122
-2.53669927 -1.44680046 -17.95275187
-0.00049458 0.00022296 0.00048444
0.00160161 0.00681033 0.00733943
1.14480908 5.51653487 -11.03242131
-0.00067682 0.00006969 -0.00041339
-0.02111004 0.00011677 -0.02074902
-0.80436558 4.20880260 -9.72694691
0.00055274 0.00034815 -0.00013879
-0.02643841 -0.03096980 0.05225304
-3.93134739 16.22390011 14.81553411
-0.00110821 0.00021716 -0.00094009
-0.00296246 0.00787396 0.00278863
-6.65433294 15.71185070 13.95423257
0.00010284 0.00069492 -0.00045746
0.00240575 0.00241531 0.00304679
-5.71116758 1.95745200 -6.45024681
0.00072823 0.00067685 -0.00009268
-0.00197416 -0.00691091 0.00300019
-5.70029753 2.49629952 -9.28572717
0.00013792 -0.00051407 0.00003658
0.00364435 -0.00525254 -0.00953894
-9.59108582 -1.27447525 -4.04038109
0.00033039 -0.00100769 -0.00069403
-0.00796836 -0.02517950 0.00051914
-9.37872529 1.40061472 -3.41465220
-0.00038729 0.00024172 0.00121971
-0.00032481 0.01592153 0.00441462
2.35780225 29.21230444 4.50669959
0.00065021 -0.00086800 0.00028704
0.00622515 -0.02686928 0.01232258
2.82776353 28.76587165 7.31390388
-0.00067211 -0.00086416 0.00069968
-0.00194646 -0.00177696 0.01177078
7.26560541 -10.23082003 -3.23067294
0.00003192 -0.00058641 -0.00000114
0.02869458 0.02217611 0.03204623
8.71836789 -11.00412032 -0.74631086
0.00006361 -0.00000219 -0.00019861
0.00125291 0.00956563 -0.01210461
-5.26803777 -0.03024938 9.44856180
-0.00078891 -0.00011960 0.00084684
0.00398538 -0.02955554 -0.00587882
-8.19223957 0.86188850 10.09923439
-0.00016735 -0.00004066 -0.00005161
0.01173764 -0.01357202 -0.00524558
19.41387467 9.35024090 7.96271980
-0.00014719 0.00038605 -0.00086712
0.00159452 0.00538247 0.00365807
21.31846320 10.29063550 5.96349359
-0.00026028 0.00007250 0.00013185
0.07731789 0.02599083 -0.00380724
-2.80895916 0.25455101 -22.55282463
0.00028865 0.00025836 0.00134930
-0.00678540 0.00701371 -0.02185308
-5.18275627 0.81333287 -24.14485034
0.00111078 -0.00061704 -0.00049105
-0.01269706 0.00046923 -0.00441301
-12.59321777 9.40350425 10.68119890
-0.00050844 0.00025727 0.00000947
0.00229746 0.00518873 -0.00288530
-13.46117696 9.40996614 7.98477902
0.00034784 0.00023558 0.00035697
-0.00186600 0.01301339 -0.01428695
-13.76714390 4.10922767 -4.78370450
0.00032843 -0.00072122 -0.00047739
-0.00962085 0.03331000 0.01178812
-15.06199539 6.91828045 -4.83912696
0.00101590 0.00007345 -0.00012835
-0.00690903 -0.01824356 -0.00022275
-5.32062947 -16.19741592 21.30322283
-0.00026225 -0.00020095 0.00058366
0.00126633 0.00569690 -0.00723029
-3.11610215 -15.57293953 19.51850935
0.00052917 0.00035238 0.00000747
0.00404507 -0.00133140 -0.00904281
-6.43985351 6.72291982 -6.38890025
-0.00038353 0.00050857 -0.00065322
0.00458403 -0.01422566 0.00108757
-7.07458374 9.39454081 -5.37892599
-0.00057829 -0.00005807 0.00028091
0.00101526 -0.00227993 -0.01445184
-20.52081863 31.04272074 -0.25065453
-0.00020664 0.00014530 0.00057904
-0.00817146 0.00175134 -0.00911926
-18.01005041 30.82588293 1.24686174
0.00060148 0.00031643 -0.00071189
-0.02265649 -0.01611053 -0.00377407
9.35139186 2.88725626 6.89209493
-0.00003205 0.00074876 0.00006351
-0.03817666 -0.02089720 -0.04161736
9.92351647 5.42459262 8.42783380
0.00007285 0.00079499 0.00001543
0.00000580 -0.04006564 -0.00766452
8.61013220 17.63754821 -12.68058188
-0.00039805 0.00057090 0.00104816
-0.01309351 -0.01039830 0.00402449
8.74884820 15.27679239 -11.17330270
-0.00001876 -0.00034418 -0.00000569
-0.00728369 0.00005830 -0.00022577
12.88788433 5.75490334 -0.02032192
0.00020628 -0.00177912 0.00054197
-0.00946023 0.01739464 0.00362792
14.28391360 3.38184747 0.58589077
-0.00009590 0.00065907 0.00052009
-0.00741453 0.01331684 -0.01947510
-4.33062687 11.45876990 -2.55468681
-0.00029384 0.00101700 -0.00188993
0.01805589 -0.00642246 -0.01111197
-5.55068700 10.50017063 -0.17004632
-0.00026959 -0.00006464 -0.00005368
0.00043193 -0.00389516 -0.00120421
7.97013348 13.58966806 4.72891828
-0.00034532 0.00062942 -0.00023893
-0.00446044 0.00925680 0.00106610
9.91270320 11.43964222 4.47694200
0.00074192 0.00013353 0.00009016
0.00465899 -0.00442800 -0.00222314
18.44085191 -11.70505956 -9.26612254
-0.00019299 0.00067111 0.00083271
0.00792681 0.00700606 -0.00043171
20.66356289 -12.91231996 -10.68135270
0.00028295 -0.00057129 -0.00031606
-0.01603498 0.03695015 0.01035445
18.94266382 -5.38293030 -2.00832751
-0.00072612 0.00104916 -0.00009668
0.00561636 0.00020309 -0.00574413
18.16278160 -7.54173022 -0.28496371
0.00000590 0.00079006 -0.00036145
-0.00179281 -0.00453430 0.00085505
15.34205077 9.36453464 9.40116192
-0.00018427 -0.00072262 -0.00032815
-0.00581231 0.00569950 0.00318466
16.40379552 7.43771892 11.32439581
0.00054708 0.00037614 -0.00017768
0.00094516 0.00153330 0.01702767
2.67007823 -15.86909737 16.96953855
0.00010629 -0.00006534 0.00095346
-0.00359788 0.01710942 0.01054047
3.70144659 -12.70995963 17.09371507
0.00000061 -0.00055895 0.00011017
-0.01625734 -0.02811034 0.00230503
-4.00037959 -4.16398459 -13.50509480
0.00016571 -0.00058981 -0.00018395
-0.00940199 -0.01744702 0.00248364
-1.68361668 -2.30963530 -13.29966845
-0.00093010 -0.00007105 -0.00032290
-0.00264992 -0.00093933 0.00125891
16.10783865 -7.63334000 -15.04894426
-0.00001212 0.00061070 0.00052092
-0.00309121 0.00330361 -0.00047380
17.09001685 -7.80465861 -12.23101960
-0.00012905 0.00051321 -0.00016292
0.00043565 0.00410164 0.00162108
9.64098448 -4.62717365 4.85035813
0.00073481 0.00020291 0.00002332
-0.01559037 0.00181659 -0.00653962
12.33346384 -4.85280609 5.67038857
0.00000876 -0.00024876 -0.00058307
-0.02571572 0.01648402 0.01412724
-21.08539685 -0.21457444 24.60467705
-0.00029275 0.00074291 -0.00042475
0.02381419 0.01944637 0.01267709
-19.96933590 2.31112744 25.89621531
-0.00039274 0.00089252 -0.00073203
-0.01428029 0.01624694 0.00719202
24.80551992 -2.47099426 -7.32201312
-0.00066260 -0.00053764 0.00038919
0.00001766 0.00840689 -0.00258131
24.14301823 -0.32663856 -9.28727303
-0.00010690 -0.00057485 0.00026278
0.00266762 -0.00013146 -0.02750133
12.64403394 -10.07682301 -9.78412520
-0.00012932 -0.00055959 -0.00048801
-0.02149709 0.00672237 -0.01447861
12.39056464 -8.46704582 -12.19413137
0.00022153 -0.00013153 0.00060954
-0.01159447 -0.01484583 0.00618660
-9.37312621 -9.14329110 18.14057051
0.00016870 0.00007030 -0.00011078
-0.00713934 -0.00555332 -0.00535670
-11.49473728 -10.45502003 16.51201793
-0.00111601 0.00098674 -0.00015230
0.03109512 0.01226522 0.00985576
8.58343076 0.84998331 -29.83628321
-0.00043238 -0.00151343 -0.00080232
-0.00274608 0.00780540 -0.00344835
5.66320268 1.06310177 -28.79114053
-0.00025833 -0.00021554 -0.00043702
0.01766741 -0.00762774 -0.00593825
12.51673122 19.55955289 12.42604873
-0.00001119 -0.00086460 -0.00007022
-0.00584903 -0.00205253 0.00575037
14.15893296 17.57796183 11.22008880
-0.00104210 -0.00052645 -0.00022654
-0.01661825 -0.00444552 0.00351296
27.54506854 7.61538562 -11.81151421
0.00025711 0.00029782 0.00068486
0.02701930 0.00250454 -0.00391111
26.05417486 7.70666662 -9.28437479
-0.00010711 -0.00087572 0.00023461
0.00311865 0.00125893 0.00783030
-7.25016922 4.60381485 6.70270376
0.00029187 -0.00001044 -0.00000255
-0.00077929 -0.00743716 -0.00568629
-9.04528899 8.76579354 3.86243736
0.00023800 -0.00003834 0.00004033
-0.00005684 -0.00416490 -0.00258647
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07823016
0.31152709
415.09423225
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4265106387 (a.u.)
total exchange computation time: 3.1532280445 s
-154.3783989550
-931.38216115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4257924692 (a.u.)
total exchange computation time: 3.1477658749 s
-154.3847665399
Anderson extrapolation: theta=1.3796364407 (1.3796364407)
-931.38240669
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4247164391 (a.u.)
total exchange computation time: 3.1494901180 s
-154.3942690147
Anderson extrapolation: theta=0.0622689618 (0.0622689618)
-931.38255991
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4245864237 (a.u.)
total exchange computation time: 3.1481399536 s
-154.3954582119
Anderson extrapolation: theta=2.1094715005 (2.0000000000)
-931.38256747
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4243179916 (a.u.)
total exchange computation time: 3.1515281200 s
-154.3979124668
Anderson extrapolation: theta=0.2849150093 (0.2849150093)
-931.38257668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4242512794 (a.u.)
total exchange computation time: 3.1511080265 s
-154.3985230148
Anderson extrapolation: theta=1.4534548933 (1.4534548933)
-931.38257881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4241835693 (a.u.)
total exchange computation time: 3.1481668949 s
-154.3991428450
Anderson extrapolation: theta=0.3745139423 (0.3745139423)
-931.38258101
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4241866224 (a.u.)
total exchange computation time: 3.1487250328 s
-154.3991177224
Anderson extrapolation: theta=1.1215693221 (1.1215693221)
-931.38258169
72.618020 156.990581 -294.239173
548.249089 1079.105797 -416.003731
620.867109 1236.096378 -710.242903
1554.945402
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1601946998
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4242103696 (a.u.)
total exchange computation time: 3.1485829353 s
679.63169574
-1085.48285310
89.74530789
-387.90709570
-174.94542663
79.21631118
551.60419304
0.00000000
-931.38258217
3.82247325 -31.49273243 -3.81584132
-0.00034034 0.00033837 -0.00002412
-0.00073332 0.00543769 -0.02078434
-11.12962052 2.26525550 -9.32697505
-0.00001413 0.00000204 0.00005411
-0.02107181 -0.03452175 0.00916259
-37.14709298 1.85556922 3.88867733
-0.00001979 -0.00007156 0.00023343
0.04116615 0.02159177 -0.00072325
-7.75431284 -3.57050150 3.09463581
0.00002759 -0.00011215 -0.00011729
0.01181358 -0.00499788 -0.01643088
2.17637550 -0.12693832 9.70958520
0.00015165 0.00027609 0.00008384
0.03170448 -0.04380105 -0.00875329
-31.21790263 1.42032825 3.51523296
-0.00019608 -0.00005915 -0.00000739
0.02716404 -0.02730573 0.00008784
16.40045195 13.32578353 -17.73558515
-0.00010288 -0.00030228 0.00007751
0.01394097 -0.00035508 -0.00133497
-3.21265609 4.98108414 4.40913709
-0.00004683 -0.00002563 -0.00054908
-0.00017724 -0.00164038 0.04202286
4.84895223 17.37236432 -6.47557448
-0.00000698 0.00000219 -0.00028278
-0.01471817 -0.04539638 -0.03249783
8.26425623 7.07574666 -21.10814459
0.00016448 0.00054965 -0.00025815
-0.03897261 -0.00641064 -0.01498520
19.55240929 18.88022114 -5.37352811
0.00057243 0.00004261 0.00009361
-0.02036389 -0.05901739 -0.01164698
2.07455538 14.72657764 -21.47314141
-0.00015192 -0.00015375 0.00015948
-0.01786768 0.00712478 -0.00614349
10.48182509 -5.52918635 0.15466304
0.00007927 -0.00006289 -0.00018880
0.01989917 0.01255448 0.01563612
-16.60944322 -5.51263946 4.91932979
0.00004383 -0.00013065 -0.00019295
0.02031362 0.00479810 0.00710925
-14.28011014 -1.52961039 20.72864844
0.00006982 0.00009670 -0.00004386
0.01416205 -0.02958956 0.00870221
1.01861629 3.64777222 -4.72820277
-0.00028658 0.00014371 -0.00020105
-0.03107016 -0.02154649 0.01647259
20.98640943 -9.64463740 -4.00650189
-0.00009231 0.00013221 -0.00024427
0.03981184 0.01066589 -0.06006796
2.85038030 -10.82176859 6.82175452
0.00000561 -0.00011740 -0.00018017
-0.03073827 0.00612277 0.01032780
-1.72562795 -1.66935214 -19.56417449
-0.00018234 -0.00040974 0.00022319
-0.01712408 -0.00421425 -0.00018187
-0.66365590 4.98969081 -11.26816970
0.00022668 0.00036935 -0.00005464
0.03281434 0.03106134 -0.03273712
-4.90444446 15.48954420 13.46236051
0.00011639 0.00005784 0.00018551
-0.00566618 -0.01360150 0.00171025
-4.95908182 3.03357917 -7.70934496
-0.00001962 0.00002215 -0.00056526
0.00202852 0.01491424 0.00684111
-8.67826861 0.16861732 -4.54240578
0.00014603 -0.00023169 0.00013405
0.00520270 0.01654520 0.00690194
2.91923518 27.88979029 5.74178054
0.00003322 0.00003199 -0.00025395
-0.00331254 0.01402695 -0.01717526
8.73839569 -9.69136112 -2.08246164
-0.00005788 0.00037374 -0.00007056
-0.03542308 -0.04110432 -0.01199324
-6.44589122 1.30326307 9.75247666
0.00043630 0.00015440 0.00032807
-0.02802004 0.04480429 0.01122792
19.74992910 9.65997303 6.19103515
-0.00002797 -0.00029247 -0.00035433
-0.07336641 -0.02229486 -0.00026628
-3.39673416 0.68813674 -24.31223001
-0.00025109 -0.00007769 -0.00016189
0.03867956 -0.01065842 0.03784382
-13.60062904 8.43695605 9.50037414
-0.00009143 0.00001226 -0.00004995
-0.00259831 -0.01908928 0.00823994
-13.89734626 5.80159384 -3.93585088
0.00004690 0.00001992 0.00002353
0.02152838 -0.02808496 -0.00763577
-3.79988089 -15.13891907 21.12975602
-0.00002938 0.00016321 0.00013209
-0.00212808 -0.00499597 0.01255088
-6.19498279 8.47811309 -6.71636169
-0.00033217 0.00015476 0.00047693
-0.00023136 0.01853319 0.00149504
-19.79490703 30.21242520 1.17102586
-0.00008343 0.00013613 0.00020537
0.03844408 0.01471834 0.01218861
10.35862533 3.54288819 8.14560839
-0.00014929 0.00006390 -0.00001157
0.03492692 0.07028423 0.05088354
7.47566325 16.49931921 -11.71423103
-0.00000591 0.00008104 -0.00016492
0.01247249 0.00267381 0.00236750
14.00034431 4.61339190 -0.85182531
0.00012263 -0.00007040 0.00031993
0.01662326 -0.04431206 0.01756597
-5.54957787 11.90868345 -1.31400414
-0.00032074 -0.00026938 0.00016085
-0.01533766 0.01667199 0.00355441
8.20376676 11.79105477 4.97958848
0.00025713 -0.00086163 -0.00007819
-0.00455787 0.00484784 0.00088130
19.83620418 -11.18442762 -10.37790826
0.00009409 0.00016842 -0.00036505
0.01113793 -0.05228759 -0.00037446
19.11015728 -5.93304530 -0.27985263
0.00031916 0.00011015 0.00025087
-0.00145152 0.00930040 0.00393515
16.01568133 7.70001857 9.59367888
-0.00017908 -0.00012690 0.00004514
-0.00017397 -0.01160006 -0.01781776
3.90132034 -14.50826107 16.60141693
-0.00022205 -0.00021986 0.00008823
0.01714774 0.01803032 -0.01920590
-3.45726887 -2.45454368 -13.75133791
-0.00048110 -0.00020222 -0.00033924
0.01417266 0.02102834 -0.00666443
16.12230017 -6.75203280 -13.37394044
0.00032643 0.00051852 0.00038581
-0.00315212 -0.00448432 -0.00461937
10.62627764 -4.32067386 6.33569839
-0.00020636 -0.00014583 0.00045927
0.03971240 -0.01494109 -0.00376188
-19.53729107 0.83931679 24.96487594
0.00008583 -0.00016413 0.00027180
-0.01618937 -0.02603088 -0.01517919
24.07051962 -0.77787211 -7.54932634
0.00001665 0.00008261 0.00021530
-0.00729061 -0.00758248 0.03280140
11.47632868 -9.80973291 -11.25011089
0.00001044 0.00015985 0.00004544
0.03503268 0.00927688 0.01432032
-9.69440221 -9.92206474 16.51408689
-0.00002608 -0.00001236 0.00045491
-0.02121815 -0.00830222 -0.00918595
7.36082419 0.33347922 -28.55201856
0.00004407 -0.00035245 -0.00012361
-0.01793317 0.00005521 0.01240944
12.58969343 17.74699282 12.22702336
0.00000117 0.00014803 0.00000061
0.01887040 0.00321628 -0.00715877
25.92445169 7.34806298 -11.07995044
-0.00004747 0.00013301 -0.00024976
-0.02127449 0.00276973 0.00585748
3.70908522 -29.92354965 -4.81105253
-0.00075262 0.00044200 -0.00058891
0.01306613 -0.00371854 0.00091126
3.45545178 -30.83456043 -2.13786464
-0.00018378 0.00005823 0.00056555
-0.00439296 0.00341950 0.01469768
-9.92843649 3.37590936 -8.70332140
0.00020236 -0.00073836 -0.00064469
0.02733537 0.02327876 0.01980952
-11.38294429 2.70978250 -11.05513427
-0.00020877 -0.00032407 -0.00023651
-0.01178766 0.00712249 -0.02809263
-37.20349018 3.56024972 3.19384003
0.00079971 0.00043217 -0.00068410
0.00007427 -0.00273978 0.00121674
-38.77313789 1.20432909 3.48511307
0.00029379 0.00144407 0.00057060
-0.02476823 -0.01521998 -0.00286753
-8.72981083 -3.78761316 1.55083234
-0.00046823 0.00000279 0.00012925
-0.01388050 -0.00493597 0.00321762
-6.36396213 -4.68621425 2.67246431
0.00020784 0.00004554 -0.00038840
0.00333558 0.00006641 0.00924114
3.56275039 -1.26492140 9.05555540
0.00046702 -0.00063454 -0.00026915
-0.02707030 0.02047539 0.01348334
2.19531905 1.20932732 8.52761349
-0.00078470 -0.00054037 -0.00070596
-0.00432874 0.02280150 -0.01328921
-30.89511934 -0.47258964 3.66190190
0.00023984 -0.00059434 0.00055777
0.00019487 0.03266139 -0.00208769
-32.93398675 1.54553911 3.02931065
0.00011084 0.00044895 0.00036833
-0.02496117 -0.00062198 -0.00029849
15.30183759 11.93580558 -18.26091679
0.00215035 0.00051241 -0.00050001
-0.00769767 0.00113241 0.00097783
17.88495827 12.36296081 -17.18805348
-0.00025045 -0.00026625 -0.00037627
-0.00212682 -0.00026917 -0.00321749
-2.98065602 6.61992549 5.32019288
-0.00010156 -0.00055274 -0.00027594
0.00383176 -0.01642242 -0.01832035
-3.70854301 5.43582991 2.77557492
-0.00054193 0.00026479 0.00026700
-0.00171668 0.01205345 -0.03079029
5.65073048 16.68402696 -8.02329300
0.00029855 0.00081021 0.00106858
-0.01144490 0.00172788 0.00472967
5.95607106 18.70777078 -6.23674238
-0.00062331 -0.00016292 0.00077202
0.02967503 0.04236456 0.01943322
8.51060121 6.57980138 -22.89534439
0.00065400 -0.00044309 0.00020420
0.00897163 0.00044606 0.01147456
9.68329640 7.48774991 -20.09295566
-0.00011109 -0.00021118 0.00110516
0.02365254 0.00542224 -0.00005404
19.38545423 19.95380355 -3.99920380
0.00036937 -0.00045954 0.00007342
-0.00330495 0.04077609 0.02904268
20.60990852 19.62020606 -6.57129277
0.00061854 -0.00048677 -0.00061647
0.02456906 0.02219897 -0.01881209
1.93699508 13.04071609 -20.78692985
0.00081506 -0.00053796 -0.00025581
-0.00597219 0.00376042 0.00476282
0.29635823 15.33822663 -21.83661843
-0.00006707 0.00095190 -0.00056487
0.02094500 -0.01285227 0.00449173
9.82460757 -7.05386080 -0.52692795
-0.00028142 -0.00096182 0.00008746
-0.00627615 -0.01783850 -0.00948169
9.33414494 -4.24972199 -0.42915434
-0.00062413 0.00031161 0.00005389
-0.00737974 0.01255459 -0.00429255
-17.03161499 -6.32847469 6.49258576
0.00060011 -0.00048696 -0.00054392
-0.00673825 0.00040669 -0.00115499
-17.96251521 -5.61796754 3.73796676
0.00045921 0.00120650 0.00033385
-0.01382119 -0.00699921 -0.00552468
-14.39909874 -0.80153965 19.10786477
0.00067997 -0.00123996 0.00045896
-0.00588702 0.01683999 -0.02505408
-14.92549795 -0.43164014 21.96395647
-0.00007358 0.00001420 -0.00045041
-0.01122638 0.01909228 0.01627391
-0.28580006 3.05977431 -3.46842585
0.00005152 -0.00105477 -0.00021881
0.02288865 0.01590029 -0.01807162
0.89538797 2.25325515 -5.94157283
-0.00065723 0.00006051 0.00043257
0.00830840 0.00310909 0.00406785
20.38795670 -9.05427822 -5.69724517
-0.00077066 0.00011319 -0.00031321
-0.00420402 -0.01092346 0.02491759
22.89086483 -9.68815118 -4.53673956
0.00001830 0.00072437 0.00026297
-0.04419686 -0.00528940 0.02975668
4.47031575 -11.27663789 6.22716457
-0.00101530 0.00028642 0.00162613
0.02341714 -0.00597697 -0.00483115
2.56467887 -11.68628028 8.41537104
-0.00010515 0.00056101 -0.00078473
0.00909536 0.00381353 -0.00294918
-2.62803144 -3.12605690 -20.23655757
0.00025686 0.00140436 -0.00013109
0.00897968 -0.00503949 -0.00736078
-2.54406895 -1.44324741 -17.94526031
-0.00048504 0.00024887 0.00050753
0.00306920 0.00587360 0.00396154
1.13400985 5.51758372 -11.03925799
-0.00075177 0.00007352 -0.00049703
-0.01557582 0.00176198 -0.02019046
-0.79688461 4.21307577 -9.72742752
0.00044447 0.00022158 0.00007429
-0.02656012 -0.03098741 0.05205161
-3.94806136 16.22739879 14.80151825
-0.00110681 0.00025819 -0.00091194
0.00364769 0.01221121 0.01098750
-6.65271666 15.72234853 13.94746408
0.00011110 0.00070437 -0.00044534
0.00163901 0.00221036 0.00288468
-5.70030464 1.96739302 -6.45154511
0.00071770 0.00064532 -0.00007653
-0.00317780 -0.00852334 0.00490800
-5.69811705 2.48842750 -9.28547078
0.00015019 -0.00053729 -0.00000739
0.00236125 -0.00611288 -0.01198402
-9.58637409 -1.29036223 -4.05077563
0.00030065 -0.00110380 -0.00069277
-0.00659127 -0.02186503 0.00010015
-9.38454455 1.40472840 -3.39622124
-0.00038157 0.00029141 0.00122581
0.00312345 0.00840177 -0.00142935
2.36774614 29.19846105 4.51138281
0.00067117 -0.00096628 0.00032907
0.00403520 -0.02123775 0.00825113
2.81762227 28.75285485 7.32475971
-0.00067984 -0.00087448 0.00073995
-0.00183857 -0.00327412 0.00794550
7.26696345 -10.23893659 -3.22970805
0.00014937 -0.00049389 0.00012938
0.02879790 0.02311282 0.03184526
8.71936037 -11.00386012 -0.74966088
0.00006967 0.00003818 -0.00024843
0.00171340 0.01020017 -0.01228370
-5.27974934 -0.03294901 9.46108431
-0.00076538 -0.00024709 0.00082074
0.00753394 -0.03285148 -0.00689745
-8.19439015 0.86086275 10.09829951
-0.00011216 -0.00009292 -0.00007425
0.01527791 -0.01201167 -0.00583942
19.41171567 9.35619662 7.94982503
-0.00014274 0.00040640 -0.00084348
0.00058407 0.00457816 0.00791360
21.31692824 10.29251946 5.96535467
0.00005526 0.00017916 0.00011584
0.07714401 0.02622058 -0.00402755
-2.80483736 0.25864125 -22.53325471
0.00025547 0.00029019 0.00124470
-0.00945489 0.00856966 -0.02935245
-5.16648369 0.80409159 -24.15235139
0.00103364 -0.00061333 -0.00050657
-0.02506393 0.00134707 -0.00318377
-12.60077404 9.40752227 10.68125249
-0.00049850 0.00027805 -0.00000090
0.00257032 0.00498587 -0.00218691
-13.45601652 9.41389855 7.98969572
0.00033970 0.00028991 0.00029508
-0.00211753 0.01358242 -0.01600914
-13.76251231 4.09943007 -4.79050408
0.00028828 -0.00057631 -0.00042520
-0.01003212 0.03762312 0.01375645
-15.04696864 6.91882315 -4.84105906
0.00098443 0.00000239 -0.00013288
-0.00849375 -0.01653898 -0.00199291
-5.32452445 -16.20025553 21.31175613
-0.00025172 -0.00017441 0.00055185
0.00389038 0.00729415 -0.00833825
-3.10804063 -15.56769468 19.51834436
0.00054264 0.00034741 -0.00002471
0.00254552 -0.00110178 -0.00671275
-6.44546597 6.73011249 -6.39866517
-0.00036638 0.00044212 -0.00064663
0.00381016 -0.01830391 0.00213814
-7.08322704 9.39359985 -5.37515512
-0.00057524 -0.00006707 0.00022366
0.00047885 -0.00212483 -0.01357365
-20.52416864 31.04495395 -0.24224840
-0.00024235 0.00015407 0.00053855
-0.00931102 0.00253961 -0.01069757
-18.00172252 30.83013566 1.23606773
0.00050169 0.00024783 -0.00072628
-0.02618779 -0.01747032 -0.00326971
9.34974129 2.89784737 6.89177223
-0.00019149 0.00066125 -0.00011079
-0.03987118 -0.02194039 -0.04369978
9.92460934 5.43528974 8.42783045
0.00007396 0.00062623 -0.00001604
0.00053724 -0.04254288 -0.00774249
8.60376017 17.64579308 -12.66473611
-0.00044689 0.00053179 0.00106082
-0.01080991 -0.00874585 0.00217103
8.74834354 15.27163148 -11.17339496
-0.00005135 -0.00034025 -0.00000865
-0.00866932 0.00186546 -0.00122343
12.89068871 5.72874950 -0.01208120
0.00015558 -0.00169420 0.00056287
-0.01536044 0.02417655 0.00660335
14.28224787 3.39214163 0.59309532
-0.00012309 0.00070766 0.00044221
-0.00589199 0.01046675 -0.01864912
-4.33448121 11.47382810 -2.58337619
-0.00023316 0.00099331 -0.00191902
0.01164663 -0.00517629 -0.00312988
-5.55471756 10.49908169 -0.17088837
-0.00026555 -0.00008507 -0.00005821
0.00154336 -0.00610789 -0.00101415
7.96481699 13.59939296 4.72536705
-0.00036053 0.00064347 -0.00023146
-0.00298645 -0.00237661 0.00258697
9.92397473 11.44150942 4.47822624
0.00075789 0.00011607 0.00008201
0.00315847 -0.00411564 -0.00176341
18.43819990 -11.69477829 -9.25364514
-0.00015199 0.00070134 0.00082386
0.01214477 0.00779305 -0.00390034
20.66731573 -12.91975705 -10.68577636
0.00021381 -0.00041456 -0.00027217
-0.01780608 0.03977203 0.01113392
18.93194412 -5.36718669 -2.00995368
-0.00070162 0.00104652 -0.00010948
0.00637534 -0.00149670 -0.00052121
18.16281521 -7.53001831 -0.29035930
-0.00000356 0.00076606 -0.00035704
-0.00283908 -0.00721275 0.00130331
15.33910854 9.35387004 9.39633733
-0.00021121 -0.00069157 -0.00031604
-0.00737357 0.00949869 0.00274213
16.41203070 7.44340804 11.32225232
0.00055137 0.00038226 -0.00010689
0.00115461 0.00146285 0.01762683
2.67156241 -15.86955325 16.98416346
0.00009099 0.00000339 0.00099621
-0.00389234 0.01653862 0.01038739
3.70095755 -12.71920525 17.09543831
-0.00006614 -0.00066916 0.00012104
-0.01641598 -0.02583686 0.00301471
-3.99818198 -4.17336631 -13.50777789
0.00012751 -0.00065746 -0.00017446
-0.00930110 -0.01567129 0.00215872
-1.69764931 -2.31072979 -13.30447333
-0.00093416 -0.00007368 -0.00031626
0.00066066 -0.00034834 0.00198865
16.10756213 -7.62407832 -15.04114504
-0.00002498 0.00062350 0.00051817
-0.00320315 0.00296407 -0.00086850
17.08809444 -7.79683478 -12.23341367
-0.00012238 0.00052470 -0.00015046
0.00283070 0.00152223 0.00447442
9.65152885 -4.62407433 4.85050748
0.00066720 0.00021035 -0.00000575
-0.01750588 0.00182468 -0.00768817
12.33280726 -4.85603241 5.66207544
-0.00009983 -0.00017963 -0.00052131
-0.02744283 0.01735647 0.01610619
-21.08905829 -0.20283491 24.59869419
-0.00019536 0.00082106 -0.00037310
0.02385633 0.01881123 0.01261059
-19.97566458 2.32501307 25.88545522
-0.00044833 0.00095227 -0.00070710
-0.01293323 0.01300382 0.00501397
24.79558147 -2.47880132 -7.31625437
-0.00066369 -0.00049919 0.00037804
-0.00055148 0.01041649 -0.00287463
24.14149652 -0.33526534 -9.28417413
-0.00009603 -0.00057420 0.00014764
0.00265288 0.00044870 -0.02885661
12.64143546 -10.08501083 -9.79188896
-0.00021406 -0.00053304 -0.00054248
-0.01998398 0.00627503 -0.01218810
12.39353224 -8.46947376 -12.18479877
0.00017586 -0.00018829 0.00063137
-0.01076142 -0.01293550 0.00449973
-9.37081442 -9.14240678 18.13874460
0.00014000 0.00005043 -0.00012609
-0.00691147 -0.00417302 -0.00213680
-11.51052452 -10.43984313 16.51003538
-0.00097953 0.00103907 -0.00011117
0.03571042 0.01335015 0.01028041
8.57686086 0.82752098 -29.84842369
-0.00044242 -0.00148066 -0.00081698
-0.00216898 0.00823590 -0.00372724
5.65986918 1.05963501 -28.79787784
-0.00018215 -0.00024886 -0.00046056
0.01961872 -0.00868732 -0.00558150
12.51638408 19.54652104 12.42517167
-0.00003539 -0.00085687 -0.00004510
-0.00599521 0.00583304 0.00654268
14.14279216 17.56992890 11.21679836
-0.00110210 -0.00054456 -0.00021729
-0.01274827 -0.00442224 0.00101284
27.54975307 7.61992966 -11.80136113
0.00036757 0.00030800 0.00066776
0.02705544 0.00247977 -0.00445911
26.05266384 7.69356937 -9.28061575
-0.00009565 -0.00087133 0.00026281
0.00248934 0.00089346 0.00597711
-7.24579331 4.60363830 6.70265022
0.00029156 -0.00001310 -0.00000458
-0.00093086 -0.00743705 -0.00565971
-9.04171903 8.76521112 3.86303786
0.00023799 -0.00003937 0.00003975
-0.00009274 -0.00469811 -0.00247474
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07746960
0.30511256
406.54719222
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4356779450 (a.u.)
total exchange computation time: 3.2629210949 s
-154.4064871285
-931.37499951
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4347252049 (a.u.)
total exchange computation time: 3.2641098499 s
-154.4142850717
Anderson extrapolation: theta=1.3843721567 (1.3843721567)
-931.37526102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4332799624 (a.u.)
total exchange computation time: 3.2632761002 s
-154.4258824890
Anderson extrapolation: theta=0.0640215402 (0.0640215402)
-931.37542474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4330935653 (a.u.)
total exchange computation time: 3.2679829597 s
-154.4272791940
Anderson extrapolation: theta=2.1303696874 (2.0000000000)
-931.37543285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4327007071 (a.u.)
total exchange computation time: 3.2647600174 s
-154.4301530364
Anderson extrapolation: theta=0.2890510349 (0.2890510349)
-931.37544241
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4325903000 (a.u.)
total exchange computation time: 3.2653229237 s
-154.4308915664
Anderson extrapolation: theta=1.3477533711 (1.3477533711)
-931.37544448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4324687113 (a.u.)
total exchange computation time: 3.2623820305 s
-154.4316214227
Anderson extrapolation: theta=0.3757447163 (0.3757447163)
-931.37544638
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4324508332 (a.u.)
total exchange computation time: 3.2635629177 s
-154.4316409678
Anderson extrapolation: theta=1.0724116322 (1.0724116322)
-931.37544696
72.667450 157.016239 -294.208942
548.204363 1079.121865 -416.009074
620.871813 1236.138105 -710.218016
1554.969084
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0629360465
ExchangeOperator: pair fraction: ispin=0: 0.1590265008
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4324527060 (a.u.)
total exchange computation time: 3.2632849216 s
679.77233169
-1085.78000704
89.73415133
-387.70185863
-174.96761198
79.38128754
551.60419304
0.00000000
-931.37544733
3.81736533 -31.48763585 -3.81628326
-0.00034092 0.00034176 -0.00003454
-0.00152831 0.00774968 -0.01972642
-11.12991372 2.26515299 -9.32612804
-0.00002597 -0.00001634 0.00005776
-0.02496891 -0.03697312 0.00500897
-37.14723105 1.85457912 3.89217597
0.00000291 -0.00005847 0.00023279
0.04711719 0.02929502 -0.00176802
-7.75385343 -3.57220300 3.09281307
0.00003368 -0.00011476 -0.00012572
0.01186413 -0.00517563 -0.01635193
2.17877255 -0.12296587 9.71080899
0.00016875 0.00025276 0.00007912
0.03477602 -0.04695363 -0.00958095
-31.22073899 1.41933570 3.51512249
-0.00018118 -0.00007380 -0.00000698
0.03077327 -0.02967484 0.00149252
16.39896254 13.32124792 -17.73442767
-0.00009407 -0.00030009 0.00007763
0.02031791 0.00888330 0.00178857
-3.21335921 4.98069336 4.40106293
-0.00004663 -0.00002727 -0.00052669
0.00094231 -0.00473979 0.04504874
4.84879070 17.37222205 -6.47994158
-0.00001573 -0.00002076 -0.00029784
-0.01929359 -0.04385573 -0.02606879
8.26657308 7.08396669 -21.11207463
0.00014503 0.00054660 -0.00026516
-0.03665776 -0.00546607 -0.01228475
19.56091724 18.88063259 -5.37216890
0.00056237 0.00001212 0.00008660
-0.01876306 -0.05952049 -0.01559690
2.07220759 14.72429894 -21.47077290
-0.00016112 -0.00014988 0.00015614
-0.01788205 0.00789393 -0.00683357
10.48309090 -5.53008132 0.15189136
0.00008821 -0.00005694 -0.00018173
0.01485011 0.01059883 0.01186765
-16.60870741 -5.51458067 4.91646297
0.00005570 -0.00012790 -0.00018876
0.02583582 0.00587608 0.00916713
-14.27900827 -1.52827401 20.72802416
0.00007744 0.00008019 -0.00003759
0.01547819 -0.03462980 0.01566316
1.01419775 3.64984476 -4.73115505
-0.00030275 0.00013265 -0.00019205
-0.03180597 -0.02147373 0.01852355
20.98517839 -9.64261313 -4.01039770
-0.00007237 0.00013785 -0.00027525
0.03771398 0.01127599 -0.06037468
2.85034584 -10.82350602 6.81909187
-0.00001314 -0.00011272 -0.00017492
-0.04217292 0.01209267 0.01008878
-1.72842909 -1.67551448 -19.56082734
-0.00019006 -0.00040929 0.00022488
-0.01290985 0.00596372 0.00674720
-0.66012911 4.99535087 -11.26911559
0.00024181 0.00038444 -0.00007092
0.02603056 0.02762022 -0.03058556
-4.90272044 15.49035936 13.46514973
0.00011198 0.00004969 0.00018434
-0.01147899 -0.01810091 -0.00624973
-4.95936824 3.03396893 -7.71779750
-0.00001800 0.00003044 -0.00056155
0.00427396 0.01732128 0.00760824
-8.67605813 0.16520583 -4.54036839
0.00014747 -0.00022239 0.00013914
0.00040912 0.01960614 0.01290416
2.91972068 27.89032418 5.73790497
0.00003213 0.00003795 -0.00026046
-0.00090193 0.00917092 -0.00812525
8.73739084 -9.68591357 -2.08356625
-0.00007610 0.00035230 -0.00007652
-0.03541449 -0.04227799 -0.01121469
-6.43945481 1.30575193 9.75744105
0.00042036 0.00017770 0.00033408
-0.03396236 0.04579141 0.01213012
19.74922656 9.65550003 6.18571920
-0.00006435 -0.00030336 -0.00035568
-0.06810966 -0.02004817 -0.00498396
-3.40035128 0.68693027 -24.31451239
-0.00022749 -0.00008368 -0.00014107
0.05310293 -0.01264615 0.04312084
-13.60201055 8.43706628 9.49965670
-0.00009271 0.00000248 -0.00004561
-0.00237040 -0.01893835 0.00862889
-13.89655977 5.80178429 -3.93552733
0.00005862 0.00000405 0.00001966
0.02406244 -0.03364459 -0.00741047
-3.80032977 -15.13649013 21.13178575
-0.00003066 0.00016017 0.00013814
-0.00285061 -0.00685390 0.01099091
-6.19996617 8.48050591 -6.70920197
-0.00033191 0.00016510 0.00047718
0.00121761 0.02167723 -0.00051234
-19.79601012 30.21452392 1.17415349
-0.00006275 0.00014382 0.00021177
0.04197165 0.01517396 0.01269052
10.35652071 3.54411787 8.14563117
-0.00013144 0.00010040 0.00001459
0.03449175 0.07162811 0.05081575
7.47562277 16.50054518 -11.71669568
0.00000014 0.00008148 -0.00016294
0.01102939 -0.00098235 0.00531416
14.00224783 4.61216504 -0.84695863
0.00013214 -0.00009394 0.00032791
0.02036662 -0.04726346 0.01347314
-5.55444821 11.90470707 -1.31157773
-0.00032724 -0.00026046 0.00016052
-0.00993382 0.01800995 -0.00481699
8.20760620 11.77814908 4.97841899
0.00025484 -0.00085642 -0.00007820
-0.00436000 0.01539233 -0.00091382
19.83765853 -11.18210297 -10.38338551
0.00009914 0.00014088 -0.00036456
0.00851029 -0.05481418 0.00227729
19.11493915 -5.93135713 -0.27607439
0.00031846 0.00011592 0.00025142
-0.00129857 0.01312659 -0.00178468
16.01299449 7.69807033 9.59428728
-0.00017891 -0.00013380 0.00003608
0.00083475 -0.01524280 -0.01741816
3.89805575 -14.51148938 16.60266627
-0.00021301 -0.00021119 0.00007810
0.01801182 0.01567437 -0.02018782
-3.46443078 -2.45749580 -13.75645220
-0.00047471 -0.00019210 -0.00034276
0.01069132 0.01830041 -0.00701689
16.12718452 -6.74427225 -13.36817110
0.00032422 0.00051680 0.00038274
-0.00547519 -0.00221190 -0.00732520
10.62333544 -4.32291897 6.34257299
-0.00018521 -0.00015369 0.00045701
0.04251124 -0.01559922 -0.00504792
-19.53606604 0.83675446 24.96889434
0.00007721 -0.00017623 0.00026469
-0.01735636 -0.02104821 -0.01245338
24.07074119 -0.77666220 -7.54597037
0.00001307 0.00007819 0.00023224
-0.00662783 -0.00959762 0.03310788
11.47662043 -9.80729942 -11.24937410
0.00002763 0.00016416 0.00005257
0.03179305 0.00751571 0.01340813
-9.69487529 -9.92228221 16.52087509
-0.00003797 -0.00001718 0.00044921
-0.02502436 -0.01043837 -0.01295767
7.36141607 0.32819262 -28.55382477
0.00003437 -0.00035228 -0.00011723
-0.01976868 0.00062825 0.01238056
12.58978383 17.74922561 12.22700496
0.00000985 0.00014764 -0.00000257
0.01486028 -0.00471756 -0.00522770
25.92365762 7.35006880 -11.08367423
-0.00005804 0.00013459 -0.00024623
-0.01982185 0.00338484 0.00784908
3.69819635 -29.91703358 -4.81985819
-0.00069876 0.00042250 -0.00058045
0.01329527 -0.00582602 0.00322835
3.45256040 -30.83358220 -2.12893100
-0.00020061 0.00007173 0.00061898
-0.00384565 0.00319100 0.01145770
-9.92456348 3.36554735 -8.71238475
0.00032127 -0.00063728 -0.00056042
0.03087481 0.02619717 0.02144051
-11.38643707 2.70513973 -11.05954279
-0.00025618 -0.00029591 -0.00034671
-0.01142077 0.00665997 -0.02584875
-37.19149227 3.56664839 3.18361578
0.00080059 0.00041110 -0.00067458
0.00035603 -0.00757454 0.00344699
-38.76949003 1.22552374 3.49358419
0.00018030 0.00137638 0.00055623
-0.03078753 -0.01791665 -0.00416554
-8.73725961 -3.78772263 1.55286973
-0.00052412 -0.00001783 0.00014264
-0.01347850 -0.00515559 0.00333628
-6.36074228 -4.68552909 2.66692156
0.00022007 0.00004674 -0.00035082
0.00264911 0.00052198 0.00915005
3.56892613 -1.27381202 9.05193130
0.00034988 -0.00054442 -0.00021130
-0.03027090 0.02363865 0.01483355
2.18341588 1.20192041 8.51661689
-0.00080198 -0.00044744 -0.00076113
-0.00412829 0.02269079 -0.01371933
-30.89151577 -0.48050390 3.67020449
0.00023819 -0.00045528 0.00054764
-0.00100371 0.03541145 -0.00286903
-32.93308897 1.55225431 3.03482647
0.00000411 0.00044527 0.00036590
-0.02728834 -0.00117735 -0.00089396
15.33385689 11.94352640 -18.26838695
0.00210185 0.00050047 -0.00050392
-0.01604105 -0.00697539 -0.00289267
17.88113630 12.35895882 -17.19379614
-0.00025466 -0.00026725 -0.00038729
0.00006830 -0.00022193 -0.00217770
-2.98206196 6.61113112 5.31549245
-0.00008506 -0.00061600 -0.00034846
0.00424629 -0.01454406 -0.01718135
-3.71672456 5.44017113 2.77863646
-0.00055172 0.00031640 0.00013274
-0.00307488 0.01321167 -0.03493247
5.65485807 16.69623305 -8.00711939
0.00025855 0.00081003 0.00107312
-0.00813458 -0.00181495 -0.00250451
5.94763075 18.70662519 -6.22456665
-0.00049990 0.00001416 0.00085323
0.03073310 0.04431440 0.02032234
8.52068614 6.57316875 -22.89192971
0.00069114 -0.00044116 0.00024964
0.00920998 0.00049463 0.01076871
9.68235479 7.48474837 -20.07637990
-0.00001959 -0.00019086 0.00110057
0.02113956 0.00452663 -0.00219120
19.39089343 19.94816000 -3.99721260
0.00035666 -0.00028948 0.00019376
-0.00291647 0.04246709 0.02986842
20.61993955 19.61358476 -6.58111626
0.00071425 -0.00039813 -0.00068702
0.02228000 0.02119087 -0.01572371
1.94903790 13.03276199 -20.79062105
0.00078791 -0.00051981 -0.00023718
-0.00731543 0.00512182 0.00435476
0.29599399 15.35211135 -21.84495391
0.00002099 0.00089458 -0.00054425
0.02216253 -0.01520774 0.00560499
9.82019394 -7.06883469 -0.52590658
-0.00030268 -0.00102183 0.00005359
-0.00412805 -0.01153672 -0.00709997
9.32455684 -4.24466309 -0.42847755
-0.00064802 0.00035486 0.00003916
-0.00431583 0.00861395 -0.00291545
-17.02281988 -6.33576661 6.48439158
0.00057077 -0.00048678 -0.00054526
-0.00762180 -0.00031692 0.00049879
-17.95605055 -5.60008453 3.74280526
0.00039333 0.00117684 0.00030391
-0.01842689 -0.00751880 -0.00913023
-14.38907964 -0.81962303 19.11398150
0.00065462 -0.00116361 0.00034070
-0.00652117 0.02053472 -0.03283814
-14.92694562 -0.43084207 21.95769902
-0.00012117 0.00009494 -0.00038182
-0.01206830 0.02042843 0.01729910
-0.28432591 3.04444006 -3.47226176
0.00014483 -0.00098729 -0.00029126
0.02278728 0.01712978 -0.01739126
0.88578411 2.25425812 -5.93495965
-0.00062194 0.00007046 0.00044394
0.00896880 0.00175991 0.00149786
20.37626793 -9.05291510 -5.70117981
-0.00078489 0.00006773 -0.00020916
-0.00276036 -0.01132798 0.02601822
22.88978502 -9.67744771 -4.53188314
-0.00016120 0.00070232 0.00038272
-0.04367199 -0.00550441 0.02886020
4.45580383 -11.27252478 6.25140843
-0.00089275 0.00025515 0.00159524
0.03657321 -0.00932930 -0.01028999
2.56338038 -11.67774834 8.40350973
-0.00007169 0.00057117 -0.00078507
0.00728123 0.00116163 0.00278164
-2.62390344 -3.10514597 -20.23874940
0.00028183 0.00136568 -0.00016798
0.00324408 -0.01389139 -0.01070035
-2.55125053 -1.43933439 -17.93752596
-0.00046959 0.00027073 0.00051671
0.00449404 0.00482538 0.00053413
1.12225604 5.51874056 -11.04733206
-0.00080247 0.00008445 -0.00057784
-0.00924234 0.00358615 -0.01936880
-0.79103141 4.21544985 -9.72471808
0.00033650 0.00009787 0.00028103
-0.02629113 -0.02956733 0.04914584
-3.96455179 16.23164585 14.78817577
-0.00107820 0.00031750 -0.00084993
0.01035863 0.01682069 0.01937007
-6.65099994 15.73298182 13.94087238
0.00011621 0.00071295 -0.00043396
0.00086436 0.00198960 0.00268340
-5.68963646 1.97681167 -6.45254262
0.00070261 0.00060765 -0.00005307
-0.00421269 -0.00991578 0.00657472
-5.69579185 2.48018084 -9.28594885
0.00015746 -0.00056390 -0.00006074
0.00119806 -0.00691526 -0.01413200
-9.58206631 -1.30758924 -4.06116404
0.00027733 -0.00118481 -0.00069347
-0.00482564 -0.01778912 -0.00044342
-9.39017239 1.40935699 -3.37787788
-0.00036225 0.00031116 0.00120865
0.00633388 0.00126762 -0.00697118
2.37793733 29.18331609 4.51657171
0.00068250 -0.00103982 0.00035293
0.00151310 -0.01476101 0.00343041
2.80736833 28.73963738 7.33610248
-0.00068701 -0.00089094 0.00076403
-0.00167147 -0.00478390 0.00383832
7.27008640 -10.24563664 -3.22679148
0.00026560 -0.00039822 0.00025772
0.02810002 0.02371499 0.03097922
8.72045786 -11.00297479 -0.75376371
0.00007760 0.00008048 -0.00029826
0.00216995 0.01050414 -0.01211107
-5.29099919 -0.03766197 9.47318410
-0.00072878 -0.00038632 0.00079087
0.01038128 -0.03530583 -0.00772604
-8.19560440 0.85910086 10.09700675
-0.00004368 -0.00013888 -0.00009900
0.01824196 -0.01048726 -0.00627560
19.40959246 9.36243292 7.93741525
-0.00014253 0.00042337 -0.00080221
-0.00048179 0.00372646 0.01228875
21.32012114 10.29601038 5.96696891
0.00036195 0.00028343 0.00010014
0.07297846 0.02481884 -0.00366136
-2.80129501 0.26325671 -22.51548369
0.00021222 0.00032758 0.00111208
-0.01171876 0.00973423 -0.03556490
-5.15174718 0.79493287 -24.16004756
0.00090646 -0.00060631 -0.00051718
-0.03719162 0.00208901 -0.00200732
-12.60817279 9.41184587 10.68117205
-0.00048760 0.00029789 -0.00000853
0.00276479 0.00472394 -0.00155062
-13.45098586 9.41866338 7.99363128
0.00033042 0.00034569 0.00022749
-0.00242496 0.01372555 -0.01707355
-13.75849555 4.09193825 -4.79646059
0.00024668 -0.00041604 -0.00036598
-0.01033139 0.04083093 0.01523474
-15.03246244 6.91835224 -4.84311331
0.00094538 -0.00006084 -0.00014460
-0.01062232 -0.01441510 -0.00374406
-5.32818101 -16.20264811 21.31977840
-0.00023098 -0.00014168 0.00051562
0.00626248 0.00872537 -0.00939925
-3.09982310 -15.56251736 19.51776797
0.00054976 0.00034350 -0.00004691
0.00094420 -0.00081144 -0.00415394
-6.45084492 6.73618340 -6.40829906
-0.00035224 0.00036034 -0.00063612
0.00311336 -0.02172649 0.00300720
-7.09184099 9.39252866 -5.37221613
-0.00057475 -0.00007512 0.00017055
-0.00023872 -0.00181549 -0.01242653
-20.52808928 31.04734279 -0.23449789
-0.00028220 0.00016554 0.00049257
-0.01019572 0.00307471 -0.01181115
-17.99499959 30.83331770 1.22507332
0.00038927 0.00017435 -0.00073852
-0.02884271 -0.01849429 -0.00271965
9.34564716 2.90709384 6.88877134
-0.00035413 0.00057181 -0.00028891
-0.03974036 -0.02184202 -0.04349438
9.92573515 5.44337958 8.42735260
0.00007688 0.00044927 -0.00004753
0.00089451 -0.04408095 -0.00767384
8.59672564 17.65350194 -12.64875729
-0.00048583 0.00050008 0.00106558
-0.00825247 -0.00677809 0.00015876
8.74730757 15.26658491 -11.17356219
-0.00008922 -0.00032923 -0.00001552
-0.00986431 0.00352762 -0.00213891
12.89255171 5.70407735 -0.00343580
0.00008173 -0.00158297 0.00059525
-0.02079169 0.03027277 0.00924834
14.28022103 3.40307725 0.59915694
-0.00014376 0.00074377 0.00036877
-0.00423019 0.00721140 -0.01729782
-4.33762178 11.48856907 -2.61225739
-0.00019850 0.00097436 -0.00191512
0.00532130 -0.00409589 0.00503969
-5.55865354 10.49761841 -0.17179258
-0.00025708 -0.00011432 -0.00006203
0.00260494 -0.00821044 -0.00085555
7.95931748 13.60897220 4.72197436
-0.00036982 0.00061215 -0.00021812
-0.00155936 -0.01295767 0.00394470
9.93543982 11.44312440 4.47940242
0.00076729 0.00009996 0.00007584
0.00144634 -0.00377100 -0.00125783
18.43629219 -11.68401942 -9.24140678
-0.00009473 0.00073440 0.00080134
0.01588675 0.00838978 -0.00712284
20.66997729 -12.92475667 -10.68951766
0.00013845 -0.00024835 -0.00022559
-0.01908270 0.04158669 0.01166300
18.92161514 -5.35153480 -2.01161180
-0.00067389 0.00103692 -0.00010127
0.00719798 -0.00320173 0.00453676
18.16267483 -7.51874844 -0.29567502
-0.00001714 0.00073154 -0.00035085
-0.00380905 -0.00968625 0.00172914
15.33571442 9.34378759 9.39168080
-0.00024407 -0.00064560 -0.00030571
-0.00870992 0.01300213 0.00231188
16.42033665 7.44918681 11.32118911
0.00055626 0.00038834 -0.00003493
0.00123824 0.00151200 0.01760040
2.67280803 -15.86899553 16.99942497
0.00007438 0.00006965 0.00103817
-0.00423892 0.01589596 0.01015264
3.69946244 -12.73003430 17.09734631
-0.00013372 -0.00076839 0.00013504
-0.01666400 -0.02273758 0.00383779
-3.99655439 -4.18370846 -13.51032868
0.00009000 -0.00071668 -0.00016650
-0.00905819 -0.01331595 0.00174020
-1.71164146 -2.31184563 -13.30915632
-0.00092454 -0.00007387 -0.00030658
0.00405040 0.00025651 0.00275179
16.10708931 -7.61463499 -15.03339906
-0.00003824 0.00063485 0.00051364
-0.00328719 0.00259010 -0.00135020
17.08634551 -7.78891765 -12.23553352
-0.00010595 0.00052556 -0.00012638
0.00521319 -0.00109963 0.00731344
9.66100035 -4.62086318 4.85018564
0.00059261 0.00021803 -0.00003844
-0.01900415 0.00193580 -0.00831393
12.33046882 -4.85819502 5.65474939
-0.00021371 -0.00010756 -0.00045215
-0.02830004 0.01792252 0.01774738
-21.09125767 -0.18994251 24.59348419
-0.00009915 0.00089559 -0.00032215
0.02324025 0.01767059 0.01232824
-19.98278588 2.33969564 25.87500242
-0.00049789 0.00099758 -0.00069154
-0.01132606 0.00917253 0.00260097
24.78560922 -2.48596999 -7.31067179
-0.00066681 -0.00045310 0.00036584
-0.00097780 0.01214723 -0.00310174
24.14013739 -0.34386463 -9.28284373
-0.00008533 -0.00057171 0.00002918
0.00258449 0.00077017 -0.02913014
12.63761224 -10.09281407 -9.80039968
-0.00029168 -0.00050860 -0.00058651
-0.01801329 0.00568516 -0.00936200
12.39584030 -8.47269446 -12.17519039
0.00013417 -0.00023642 0.00064578
-0.00964223 -0.01062460 0.00255837
-9.36892621 -9.14177821 18.13678774
0.00011248 0.00003643 -0.00012801
-0.00655904 -0.00268005 0.00119928
-11.52412320 -10.42384804 16.50868289
-0.00082634 0.00109499 -0.00006842
0.03927697 0.01402436 0.01064501
8.57015802 0.80556339 -29.86079261
-0.00045029 -0.00144634 -0.00083240
-0.00168286 0.00856384 -0.00381956
5.65773804 1.05563583 -28.80495721
-0.00009926 -0.00028602 -0.00048268
0.02096004 -0.00949816 -0.00524988
12.51566952 19.53384667 12.42469559
-0.00006013 -0.00081654 -0.00001676
-0.00611450 0.01391269 0.00733204
14.12587006 17.56162495 11.21357000
-0.00114552 -0.00056269 -0.00021887
-0.00850538 -0.00444907 -0.00178294
27.55609572 7.62462569 -11.79148134
0.00047631 0.00031782 0.00064926
0.02617386 0.00232648 -0.00459805
26.05130537 7.68052687 -9.27649040
-0.00008680 -0.00086845 0.00028298
0.00184430 0.00051343 0.00389251
-7.24142239 4.60342181 6.70256629
0.00029121 -0.00001577 -0.00000660
-0.00105801 -0.00745600 -0.00563534
-9.03814939 8.76461234 3.86362975
0.00023797 -0.00004052 0.00003918
-0.00009155 -0.00516725 -0.00237138
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07717543
0.29827190
397.43235651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4432155665 (a.u.)
total exchange computation time: 3.1857089996 s
-154.4286767895
-931.36917496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4420858765 (a.u.)
total exchange computation time: 3.1861529350 s
-154.4378759886
Anderson extrapolation: theta=1.3804731676 (1.3804731676)
-931.36944704
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4403874643 (a.u.)
total exchange computation time: 3.1865031719 s
-154.4514252952
Anderson extrapolation: theta=0.0652443521 (0.0652443521)
-931.36961916
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4401727888 (a.u.)
total exchange computation time: 3.1871201992 s
-154.4530032441
Anderson extrapolation: theta=2.3182254478 (2.0000000000)
-931.36962883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4397189246 (a.u.)
total exchange computation time: 3.1868410110 s
-154.4562608508
Anderson extrapolation: theta=0.4183326412 (0.4183326412)
-931.36964172
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4395395766 (a.u.)
total exchange computation time: 3.1853489876 s
-154.4574677646
Anderson extrapolation: theta=1.0602596249 (1.0602596249)
-931.36964554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4393886828 (a.u.)
total exchange computation time: 3.1895191669 s
-154.4583873669
Anderson extrapolation: theta=0.5278086112 (0.5278086112)
-931.36964847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4393514583 (a.u.)
total exchange computation time: 3.1859619617 s
-154.4585081571
Anderson extrapolation: theta=0.7666430943 (0.7666430943)
-931.36964959
72.715421 201.420744 -294.188000
548.157880 1079.141644 -416.014766
620.873301 1280.562387 -710.202766
1590.506728
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632267442
ExchangeOperator: pair fraction: ispin=0: 0.1603677664
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4393568809 (a.u.)
total exchange computation time: 3.1858639717 s
679.87699642
-1086.00790853
89.72697979
-387.54241146
-174.98394947
79.51030777
551.60419304
0.00000000
-931.36965013
3.81224562 -31.48247949 -3.81687739
-0.00034192 0.00034631 -0.00004428
-0.00235409 0.00990866 -0.01816893
-11.13039954 2.26476524 -9.32524239
-0.00003952 -0.00003563 0.00005928
-0.02772285 -0.03804855 0.00091267
-37.14700562 1.85381502 3.89566096
0.00002845 -0.00004169 0.00023158
0.05219852 0.03598337 -0.00292939
-7.75330248 -3.57394443 3.09086418
0.00003977 -0.00011746 -0.00013413
0.01181529 -0.00529421 -0.01634975
2.18143788 -0.11935565 9.71195887
0.00018721 0.00022820 0.00007386
0.03702819 -0.04854092 -0.01086355
-31.22333794 1.41811421 3.51502353
-0.00016472 -0.00008945 -0.00000594
0.03322330 -0.03118778 0.00254103
16.39762987 13.31678085 -17.73325639
-0.00008201 -0.00029304 0.00007943
0.02659385 0.01853853 0.00523956
-3.21405506 4.98026601 4.39333631
-0.00004599 -0.00003054 -0.00050321
0.00154615 -0.00797913 0.04626987
4.84848033 17.37174146 -6.48450979
-0.00002653 -0.00004236 -0.00030935
-0.02271551 -0.04014377 -0.01869334
8.26860712 7.09214455 -21.11609945
0.00012692 0.00054408 -0.00027063
-0.03377503 -0.00433349 -0.00898396
19.56928045 18.88058485 -5.37093000
0.00055327 -0.00001817 0.00007777
-0.01663601 -0.05829297 -0.01877191
2.06972186 14.72208113 -21.46845711
-0.00017019 -0.00014569 0.00015249
-0.01741060 0.00843209 -0.00737763
10.48447126 -5.53089453 0.14921124
0.00009450 -0.00005202 -0.00017659
0.00963459 0.00851560 0.00809148
-16.60777229 -5.51647655 4.91366687
0.00007026 -0.00012465 -0.00018363
0.03080212 0.00677437 0.01079929
-14.27778699 -1.52720479 20.72752071
0.00008560 0.00006141 -0.00002781
0.01625258 -0.03840629 0.02237275
1.00953384 3.65175164 -4.73396442
-0.00031917 0.00012172 -0.00018211
-0.03204714 -0.02102781 0.02013994
20.98423830 -9.64050187 -4.01475927
-0.00005368 0.00014374 -0.00030616
0.03498288 0.01161894 -0.05983485
2.84998604 -10.82515016 6.81650704
-0.00003761 -0.00010499 -0.00017000
-0.05295669 0.01797057 0.00901771
-1.73132983 -1.68163081 -19.55742813
-0.00019552 -0.00040353 0.00023018
-0.00829430 0.01643734 0.01388495
-0.65640152 5.00122401 -11.27029744
0.00025319 0.00039740 -0.00008555
0.01821691 0.02275703 -0.02630051
-4.90108497 15.49103488 13.46789073
0.00010464 0.00003921 0.00017915
-0.01707345 -0.02266929 -0.01393417
-4.95962169 3.03449232 -7.72619135
-0.00001532 0.00003988 -0.00055745
0.00614763 0.01940361 0.00830601
-8.67384449 0.16194560 -4.53823146
0.00014647 -0.00021181 0.00014723
-0.00430933 0.02155659 0.01853736
2.92019922 27.89092882 5.73396671
0.00003235 0.00004121 -0.00026211
0.00175523 0.00349318 0.00172208
8.73611277 -9.68079219 -2.08475738
-0.00009413 0.00033040 -0.00008202
-0.03469821 -0.04287257 -0.01014795
-6.43328040 1.30859406 9.76249901
0.00040174 0.00020127 0.00034046
-0.03843861 0.04585069 0.01270018
19.74799858 9.65087236 6.18036479
-0.00009716 -0.00031274 -0.00035955
-0.05948349 -0.01643423 -0.01008597
-3.40355873 0.68562625 -24.31646210
-0.00019680 -0.00009058 -0.00011780
0.06622746 -0.01416777 0.04736146
-13.60341034 8.43703041 9.49900583
-0.00009385 -0.00000709 -0.00004122
-0.00207882 -0.01827358 0.00846187
-13.89558765 5.80171519 -3.93526095
0.00007161 -0.00001446 0.00001600
0.02643864 -0.03830096 -0.00682864
-3.80080063 -15.13411407 21.13390028
-0.00003222 0.00015620 0.00014335
-0.00323127 -0.00856788 0.00927938
-6.20494015 8.48306597 -6.70204619
-0.00033089 0.00017681 0.00047640
0.00274070 0.02386137 -0.00254490
-19.79678941 30.21673969 1.17737902
-0.00004053 0.00015174 0.00021830
0.04441345 0.01562755 0.01267555
10.35468219 3.54590014 8.14604598
-0.00011422 0.00013710 0.00004010
0.03245307 0.07109295 0.04840191
7.47566738 16.50176357 -11.71911932
0.00000533 0.00008001 -0.00015945
0.00916971 -0.00471949 0.00826502
14.00430849 4.61057356 -0.84198800
0.00014336 -0.00011869 0.00033381
0.02325476 -0.04896993 0.00945988
-5.55939518 11.90086962 -1.30918847
-0.00033105 -0.00025083 0.00015595
-0.00486513 0.01944012 -0.01294699
8.21141200 11.76536214 4.97724245
0.00025256 -0.00084613 -0.00007905
-0.00450930 0.02461426 -0.00240207
19.83917853 -11.18020118 -10.38884519
0.00010285 0.00011230 -0.00036273
0.00590433 -0.05631558 0.00484333
19.11971100 -5.92956769 -0.27230992
0.00031779 0.00012358 0.00024913
-0.00131295 0.01665629 -0.00713471
16.01031408 7.69600449 9.59476130
-0.00017814 -0.00014246 0.00002740
0.00216286 -0.01840493 -0.01634876
3.89493011 -14.51459676 16.60375987
-0.00020361 -0.00020386 0.00006743
0.01855313 0.01281912 -0.02127811
-3.47151020 -2.46030675 -13.76162063
-0.00047013 -0.00018349 -0.00034644
0.00710408 0.01520303 -0.00730737
16.13202663 -6.73652876 -13.36245828
0.00032083 0.00051624 0.00037832
-0.00770078 0.00004256 -0.00986731
10.62072120 -4.32528443 6.34940866
-0.00016293 -0.00016184 0.00045402
0.04412951 -0.01609871 -0.00656514
-19.53497490 0.83402976 24.97281666
0.00006810 -0.00018556 0.00025906
-0.01804871 -0.01521544 -0.00942579
24.07091162 -0.77552634 -7.54235899
0.00000979 0.00007288 0.00024906
-0.00609859 -0.01105473 0.03228881
11.47715746 -9.80480796 -11.24853386
0.00004299 0.00016752 0.00005916
0.02793754 0.00554102 0.01223453
-9.69554143 -9.92258020 16.52756332
-0.00005160 -0.00002302 0.00044159
-0.02794834 -0.01226328 -0.01667191
7.36185544 0.32291087 -28.55553547
0.00002391 -0.00035186 -0.00011090
-0.02092924 0.00099496 0.01222190
12.58998887 17.75142201 12.22694624
0.00001639 0.00014322 -0.00000469
0.01056664 -0.01245869 -0.00302067
25.92271062 7.35210074 -11.08733746
-0.00006763 0.00013652 -0.00024175
-0.01749240 0.00413109 0.00959926
3.68812229 -29.91087457 -4.82846601
-0.00064407 0.00039489 -0.00056286
0.01347970 -0.00769133 0.00538392
3.44943334 -30.83240840 -2.11929516
-0.00021510 0.00008413 0.00065846
-0.00324415 0.00287815 0.00786675
-9.91879828 3.35679087 -8.72013410
0.00045178 -0.00052699 -0.00047122
0.03300712 0.02779016 0.02222391
-11.39062978 2.70090512 -11.06553548
-0.00030170 -0.00026994 -0.00044607
-0.01085797 0.00605510 -0.02279009
-37.17947254 3.57258284 3.17360278
0.00080241 0.00037126 -0.00065626
0.00053583 -0.01193033 0.00551676
-38.76772903 1.24562036 3.50180002
0.00004437 0.00129889 0.00053718
-0.03574750 -0.02001231 -0.00516123
-8.74553444 -3.78814807 1.55511160
-0.00057809 -0.00003940 0.00015673
-0.01293872 -0.00540074 0.00355760
-6.35736008 -4.68481193 2.66193958
0.00022944 0.00004976 -0.00031376
0.00193986 0.00095216 0.00899175
3.57324669 -1.28125392 9.04921628
0.00022151 -0.00044287 -0.00014878
-0.03256643 0.02606970 0.01577214
2.17125970 1.19590414 8.50477948
-0.00081847 -0.00035683 -0.00081631
-0.00394416 0.02166413 -0.01328751
-30.88797370 -0.48624793 3.67833124
0.00023190 -0.00030672 0.00053445
-0.00207529 0.03730759 -0.00359207
-32.93386358 1.55889735 3.04028751
-0.00011000 0.00043919 0.00036166
-0.02856673 -0.00180334 -0.00117989
15.36489309 11.95081973 -18.27603438
0.00201865 0.00045372 -0.00052448
-0.02468573 -0.01590770 -0.00717411
17.87731852 12.35494323 -17.19967226
-0.00024938 -0.00026837 -0.00039380
0.00251595 -0.00032530 -0.00100928
-2.98320767 6.60144539 5.30973905
-0.00006669 -0.00067046 -0.00041554
0.00474401 -0.01211408 -0.01565345
-3.72509456 5.44532204 2.77955712
-0.00056614 0.00037189 -0.00001535
-0.00398613 0.01395037 -0.03755994
5.65848713 16.70832791 -7.99109928
0.00023308 0.00079511 0.00104706
-0.00433501 -0.00548959 -0.01025429
5.94107395 18.70819545 -6.21114545
-0.00037557 0.00019492 0.00093708
0.03012734 0.04416921 0.02072228
8.53133550 6.56656644 -22.88785506
0.00072916 -0.00043918 0.00029186
0.00939838 0.00047680 0.00989821
9.68270875 7.48202425 -20.05993842
0.00006046 -0.00017433 0.00108643
0.01804661 0.00356485 -0.00473417
19.39615390 19.94511910 -3.99339089
0.00034589 -0.00011523 0.00031405
-0.00235305 0.04282796 0.02901291
20.63133603 19.60826216 -6.59190338
0.00079909 -0.00031464 -0.00074315
0.01925145 0.01967568 -0.01175283
1.96063238 13.02512179 -20.79404537
0.00075540 -0.00049615 -0.00022020
-0.00859760 0.00646023 0.00396124
0.29698801 15.36506406 -21.85294587
0.00011288 0.00082818 -0.00051936
0.02281936 -0.01729497 0.00657755
9.81552731 -7.08451561 -0.52532033
-0.00031498 -0.00105567 0.00002948
-0.00189680 -0.00503113 -0.00469850
9.31470424 -4.23907628 -0.42797942
-0.00065918 0.00038186 0.00003008
-0.00114547 0.00460199 -0.00152936
-17.01449189 -6.34307795 6.47622797
0.00053792 -0.00048949 -0.00053992
-0.00846029 -0.00101314 0.00211500
-17.95071520 -5.58266231 3.74708420
0.00030980 0.00114539 0.00026023
-0.02246104 -0.00787768 -0.01225479
-14.37946019 -0.83644793 19.11808571
0.00062700 -0.00107341 0.00019288
-0.00700017 0.02361781 -0.03952104
-14.92913291 -0.42879203 21.95250177
-0.00017132 0.00017967 -0.00031074
-0.01248133 0.02105039 0.01749575
-0.28145521 3.03015562 -3.47716352
0.00023662 -0.00091535 -0.00035985
0.02214574 0.01808502 -0.01618423
0.87672991 2.25536895 -5.92825467
-0.00058400 0.00007464 0.00044464
0.00959951 0.00028599 -0.00115233
20.36440998 -9.05224624 -5.70351990
-0.00079360 0.00002115 -0.00010200
-0.00150448 -0.01147225 0.02643543
22.88602872 -9.66708158 -4.52525799
-0.00033672 0.00067946 0.00049814
-0.04224663 -0.00568594 0.02763931
4.44353335 -11.26898342 6.27502166
-0.00071767 0.00021066 0.00154307
0.04912921 -0.01245005 -0.01524374
2.56252813 -11.66914521 8.39181889
-0.00004592 0.00057024 -0.00076133
0.00533376 -0.00161557 0.00884232
-2.61957663 -3.08508640 -20.24159702
0.00028273 0.00129041 -0.00021909
-0.00280391 -0.02295442 -0.01431615
-2.55815668 -1.43512564 -17.92975888
-0.00044854 0.00028812 0.00051205
0.00581289 0.00368951 -0.00281657
1.10993580 5.52011718 -11.05659318
-0.00082583 0.00010312 -0.00065479
-0.00219395 0.00555532 -0.01829767
-0.78678950 4.21601185 -9.71899668
0.00023039 -0.00001741 0.00047100
-0.02565263 -0.02686041 0.04384808
-3.98040737 16.23692378 14.77602041
-0.00102264 0.00039573 -0.00075417
0.01684073 0.02147503 0.02750547
-6.64923024 15.74373704 13.93444514
0.00011816 0.00072060 -0.00042347
0.00008651 0.00175514 0.00245138
-5.67922645 1.98562263 -6.45313719
0.00068369 0.00056485 -0.00002346
-0.00504474 -0.01103658 0.00791855
-5.69339322 2.47151037 -9.28729301
0.00016032 -0.00059361 -0.00012209
0.00020003 -0.00762427 -0.01589959
-9.57805428 -1.32590647 -4.07157962
0.00026178 -0.00124801 -0.00069652
-0.00278467 -0.01314997 -0.00105029
-9.39541204 1.41406326 -3.35996176
-0.00033051 0.00030295 0.00116981
0.00920395 -0.00528699 -0.01204264
2.38822125 29.16726647 4.52197085
0.00068294 -0.00108537 0.00035571
-0.00130042 -0.00753723 -0.00207265
2.79701196 28.72612673 7.34768049
-0.00069339 -0.00091341 0.00077107
-0.00144935 -0.00621697 -0.00039111
7.27493149 -10.25088330 -3.22197632
0.00037740 -0.00030077 0.00038123
0.02662744 0.02399105 0.02947539
8.72168833 -11.00144570 -0.75860879
0.00008741 0.00012337 -0.00034667
0.00263497 0.01048842 -0.01158278
-5.30161281 -0.04453869 9.48481039
-0.00068228 -0.00053343 0.00075805
0.01238108 -0.03670472 -0.00833744
-8.19570068 0.85669624 10.09532939
0.00003557 -0.00017873 -0.00012521
0.02055397 -0.00901804 -0.00655191
19.40743973 9.36889760 7.92575860
-0.00014666 0.00043702 -0.00074349
-0.00154007 0.00295822 0.01645483
21.32778662 10.30102235 5.96835876
0.00064451 0.00037898 0.00008686
0.06534013 0.02195359 -0.00283900
-2.79847085 0.26846873 -22.49989231
0.00016051 0.00036902 0.00095656
-0.01359246 0.01055083 -0.04056164
-5.13929001 0.78590217 -24.16786675
0.00073175 -0.00059663 -0.00052326
-0.04832928 0.00264953 -0.00096731
-12.61540209 9.41645897 10.68099657
-0.00047607 0.00031654 -0.00001374
0.00288165 0.00440626 -0.00099953
-13.44610381 9.42426939 7.99652046
0.00031982 0.00040118 0.00015691
-0.00276637 0.01343374 -0.01747479
-13.75511197 4.08694880 -4.80148341
0.00020418 -0.00024483 -0.00030164
-0.01047242 0.04298050 0.01625655
-15.01860724 6.91699788 -4.84539701
0.00089790 -0.00011530 -0.00016334
-0.01261987 -0.01224424 -0.00542827
-5.33145377 -16.20450595 21.32722463
-0.00020115 -0.00010351 0.00047516
0.00833767 0.00995788 -0.01040371
-3.09154770 -15.55738976 19.51693701
0.00055025 0.00034085 -0.00005843
-0.00070501 -0.00048434 -0.00148223
-6.45603306 6.74092276 -6.41774865
-0.00034072 0.00026630 -0.00062246
0.00252428 -0.02430893 0.00367931
-7.10046957 9.39134620 -5.37003871
-0.00057755 -0.00008162 0.00012261
-0.00113290 -0.00136644 -0.01103969
-20.53263478 31.04992008 -0.22747125
-0.00032510 0.00017861 0.00044307
-0.01080223 0.00332513 -0.01241831
-17.99004431 30.83536630 1.21391224
0.00026778 0.00009738 -0.00074844
-0.03062920 -0.01918550 -0.00213922
9.33911750 2.91500170 6.88310485
-0.00051256 0.00048497 -0.00046158
-0.03781296 -0.02066688 -0.04102703
9.92691577 5.44876786 8.42640445
0.00008095 0.00026785 -0.00007847
0.00109548 -0.04472664 -0.00746958
8.58918535 17.66079541 -12.63276873
-0.00051388 0.00047694 0.00106189
-0.00547788 -0.00454779 -0.00196391
8.74566706 15.26175453 -11.17386052
-0.00013149 -0.00031181 -0.00002593
-0.01082975 0.00500014 -0.00295772
12.89314047 5.68126049 0.00577640
-0.00001271 -0.00144883 0.00063726
-0.02543508 0.03538760 0.01131653
14.27793495 3.41445484 0.60415845
-0.00015743 0.00076585 0.00030189
-0.00245879 0.00359699 -0.01543880
-4.34043623 11.50305902 -2.64082974
-0.00018891 0.00095933 -0.00187818
-0.00062568 -0.00326220 0.01304046
-5.56242986 10.49565195 -0.17274922
-0.00024439 -0.00015179 -0.00006535
0.00360767 -0.01012745 -0.00077068
7.95372239 13.61775732 4.71882343
-0.00037326 0.00054025 -0.00019963
-0.00012412 -0.02223638 0.00510429
9.94699356 11.44450826 4.48050150
0.00077308 0.00008412 0.00007129
0.00138723 -0.00398454 -0.00096908
18.43535812 -11.67274637 -9.22960496
-0.00002320 0.00076956 0.00076628
0.01912481 0.00882206 -0.01004033
20.67146936 -12.92720759 -10.69254419
0.00005888 -0.00007654 -0.00017727
-0.01986869 0.04251458 0.01199074
18.91172730 -5.33607913 -2.01299188
-0.00064273 0.00102048 -0.00007311
0.00805471 -0.00484542 0.00924932
18.16230101 -7.50807221 -0.30088476
-0.00003443 0.00068749 -0.00034298
-0.00465256 -0.01187645 0.00212263
15.33178649 9.33450198 9.38716595
-0.00028201 -0.00058633 -0.00029708
-0.00986266 0.01601117 0.00191317
16.42871848 7.45505825 11.32120456
0.00056118 0.00039482 0.00003553
0.00117126 0.00165964 0.01688669
2.67379387 -15.86746361 17.01530869
0.00005648 0.00013313 0.00107910
-0.00452468 0.01517816 0.00987916
3.69694606 -12.74225685 17.09948951
-0.00020222 -0.00085356 0.00015268
-0.01686944 -0.01895609 0.00479747
-3.99548195 -4.19486670 -13.51277282
0.00005369 -0.00076534 -0.00016038
-0.00871777 -0.01050390 0.00125254
-1.72538537 -2.31294575 -13.31367068
-0.00090115 -0.00007158 -0.00029376
0.00739852 0.00086297 0.00352353
16.10641502 -7.60503292 -15.02573582
-0.00005184 0.00064460 0.00050712
-0.00337094 0.00218282 -0.00184002
17.08491608 -7.78106792 -12.23720515
-0.00007998 0.00051582 -0.00009093
0.00749716 -0.00366981 0.01003855
9.66930716 -4.61753339 4.84935428
0.00051277 0.00022636 -0.00007253
-0.02007683 0.00214061 -0.00837392
12.32639598 -4.85925923 5.64851102
-0.00032943 -0.00003380 -0.00037697
-0.02834512 0.01818608 0.01905013
-21.09203274 -0.17596716 24.58902973
-0.00000680 0.00096446 -0.00027280
0.02196385 0.01604024 0.01182839
-19.99060132 2.35494037 25.86470902
-0.00054048 0.00102644 -0.00068602
-0.00952005 0.00495845 0.00010297
24.77557704 -2.49239420 -7.30527931
-0.00067136 -0.00040058 0.00035285
-0.00124904 0.01355832 -0.00325412
24.13893665 -0.35241671 -9.28329861
-0.00007501 -0.00056841 -0.00008815
0.00246527 0.00084747 -0.02830596
12.63268505 -10.10026890 -9.80948417
-0.00036040 -0.00048687 -0.00061799
-0.01562391 0.00495374 -0.00604850
12.39755744 -8.47656630 -12.16542522
0.00009759 -0.00027441 0.00065180
-0.00826563 -0.00797186 0.00038718
-9.36743998 -9.14131389 18.13490437
0.00008661 0.00002864 -0.00011630
-0.00610569 -0.00113472 0.00453313
-11.53531474 -10.40699346 16.50798278
-0.00066072 0.00115291 -0.00002433
0.04179694 0.01432643 0.01093632
8.56335205 0.78413065 -29.87339561
-0.00045638 -0.00141089 -0.00084777
-0.00129753 0.00879210 -0.00370563
5.65689146 1.05105455 -28.81235834
-0.00001214 -0.00032597 -0.00050352
0.02168214 -0.01005816 -0.00494862
12.51458022 19.52202496 12.42466886
-0.00008527 -0.00074349 0.00001472
-0.00619370 0.02184442 0.00807966
14.10842670 17.55304833 11.21023237
-0.00117108 -0.00058100 -0.00023234
-0.00400950 -0.00451707 -0.00481151
27.56404248 7.62946429 -11.78188334
0.00057967 0.00032676 0.00063093
0.02442150 0.00204922 -0.00437344
26.05005994 7.66751584 -9.27212649
-0.00008064 -0.00086710 0.00029435
0.00117148 0.00014858 0.00167474
-7.23705716 4.60316530 6.70245210
0.00029081 -0.00001844 -0.00000861
-0.00115834 -0.00748661 -0.00557979
-9.03458007 8.76399557 3.86421339
0.00023786 -0.00004173 0.00003865
-0.00081508 -0.00528636 -0.00223178
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07794124
0.29170890
388.68747847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4465455849 (a.u.)
total exchange computation time: 3.0402939320 s
-154.4433913716
-931.36312308
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4454267526 (a.u.)
total exchange computation time: 3.0382530689 s
-154.4530400035
Anderson extrapolation: theta=1.3855686794 (1.3855686794)
-931.36340954
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4438277931 (a.u.)
total exchange computation time: 3.0389289856 s
-154.4668035017
Anderson extrapolation: theta=0.0680822935 (0.0680822935)
-931.36359314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4436911329 (a.u.)
total exchange computation time: 3.0404789448 s
-154.4680522330
Anderson extrapolation: theta=2.3563345284 (2.0000000000)
-931.36360427
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4434328091 (a.u.)
total exchange computation time: 3.0419819355 s
-154.4704505662
Anderson extrapolation: theta=0.4306097361 (0.4306097361)
-931.36361953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4433544487 (a.u.)
total exchange computation time: 3.0413508415 s
-154.4712096107
Anderson extrapolation: theta=0.9596190543 (0.9596190543)
-931.36362417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4433221560 (a.u.)
total exchange computation time: 3.0415210724 s
-154.4715566861
Anderson extrapolation: theta=0.5393384245 (0.5393384245)
-931.36362754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4433431321 (a.u.)
total exchange computation time: 3.0398581028 s
-154.4713958052
Anderson extrapolation: theta=0.7189419208 (0.7189419208)
-931.36362892
72.764599 201.450327 -294.177592
548.109622 1079.164930 -416.020995
620.874221 1280.615257 -710.198586
1590.547789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0630087209
ExchangeOperator: pair fraction: ispin=0: 0.1591130341
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4433846518 (a.u.)
total exchange computation time: 2.9881250858 s
679.95108365
-1086.16198754
89.72127838
-387.43525708
-174.99536237
79.59550292
551.60419304
0.00000000
-931.36362962
3.80710774 -31.47724668 -3.81761168
-0.00034334 0.00035188 -0.00005309
-0.00317492 0.01178464 -0.01609975
-11.13109924 2.26408395 -9.32434969
-0.00005410 -0.00005506 0.00005875
-0.02899030 -0.03747564 -0.00297144
-37.14637750 1.85332851 3.89912336
0.00005622 -0.00002180 0.00022973
0.05577588 0.04135405 -0.00426332
-7.75266038 -3.57572671 3.08878915
0.00004579 -0.00012018 -0.00014254
0.01161464 -0.00531216 -0.01634548
2.18438887 -0.11611991 9.71302493
0.00020658 0.00020326 0.00006784
0.03830882 -0.04843711 -0.01256211
-31.22568058 1.41665213 3.51494418
-0.00014736 -0.00010562 -0.00000447
0.03430011 -0.03167790 0.00318553
16.39650236 13.31245679 -17.73204469
-0.00006680 -0.00028103 0.00008306
0.03251792 0.02814740 0.00886907
-3.21473899 4.97977710 4.38596665
-0.00004520 -0.00003548 -0.00047965
0.00152313 -0.01123265 0.04534166
4.84799471 17.37095116 -6.48922222
-0.00003877 -0.00006148 -0.00031683
-0.02486017 -0.03417889 -0.01037221
8.27038060 7.10028897 -21.12019357
0.00011043 0.00054218 -0.00027427
-0.03032027 -0.00305564 -0.00514854
19.57751531 18.88008741 -5.36983593
0.00054537 -0.00004736 0.00006757
-0.01407839 -0.05519167 -0.02088166
2.06710180 14.71992837 -21.46619824
-0.00017889 -0.00014127 0.00014859
-0.01639070 0.00872867 -0.00776693
10.48592596 -5.53164204 0.14659354
0.00009811 -0.00004819 -0.00017339
0.00439253 0.00639753 0.00437532
-16.60659954 -5.51832016 4.91095408
0.00008714 -0.00012098 -0.00017781
0.03482837 0.00751340 0.01182506
-14.27644032 -1.52643186 20.72718987
0.00009399 0.00004110 -0.00001479
0.01638778 -0.04053647 0.02824257
1.00462269 3.65349629 -4.73661842
-0.00033555 0.00011113 -0.00017148
-0.03165606 -0.02015245 0.02121427
20.98356809 -9.63830098 -4.01958246
-0.00003660 0.00014972 -0.00033650
0.03140863 0.01165189 -0.05816057
2.84921768 -10.82665566 6.81399178
-0.00006714 -0.00009439 -0.00016589
-0.06188577 0.02324132 0.00697470
-1.73429455 -1.68762033 -19.55392180
-0.00019853 -0.00039242 0.00023913
-0.00342401 0.02675133 0.02090333
-0.65253338 5.00727272 -11.27168220
0.00026029 0.00040752 -0.00009751
0.00938853 0.01662581 -0.02018599
-4.89958122 15.49153551 13.47052424
0.00009458 0.00002645 0.00017021
-0.02203155 -0.02691990 -0.02081553
-4.95982771 3.03516540 -7.73452113
-0.00001179 0.00005027 -0.00055303
0.00755602 0.02099495 0.00890613
-8.67166410 0.15885167 -4.53595151
0.00014309 -0.00020050 0.00015807
-0.00880748 0.02239996 0.02360022
2.92069130 27.89156041 5.73004174
0.00003399 0.00004134 -0.00025854
0.00461108 -0.00297555 0.01214002
8.73456702 -9.67600155 -2.08602680
-0.00011156 0.00030840 -0.00008688
-0.03307891 -0.04268520 -0.00874608
-6.42740255 1.31178991 9.76765496
0.00038128 0.00022454 0.00034704
-0.04112973 0.04465346 0.01287226
19.74631170 9.64611791 6.17493258
-0.00012481 -0.00031996 -0.00036603
-0.04802448 -0.01165450 -0.01510901
-3.40625526 0.68421292 -24.31804644
-0.00015997 -0.00009812 -0.00009263
0.07700667 -0.01515269 0.05053293
-13.60482617 8.43685356 9.49842025
-0.00009482 -0.00001617 -0.00003706
-0.00167733 -0.01704673 0.00771522
-13.89441156 5.80135061 -3.93504726
0.00008573 -0.00003505 0.00001273
0.02847553 -0.04179964 -0.00588323
-3.80129642 -15.13180411 21.13608639
-0.00003390 0.00015141 0.00014766
-0.00328853 -0.01006148 0.00746103
-6.20989299 8.48581012 -6.69491005
-0.00032908 0.00018933 0.00047456
0.00431147 0.02484222 -0.00458048
-19.79722606 30.21907603 1.18070234
-0.00001739 0.00015987 0.00022466
0.04558117 0.01601178 0.01206269
10.35309404 3.54823087 8.14683419
-0.00009846 0.00017300 0.00006376
0.02883165 0.06852008 0.04359852
7.47578273 16.50294555 -11.72147921
0.00000946 0.00007663 -0.00015446
0.00687482 -0.00842807 0.01114996
14.00654854 4.60860430 -0.83694440
0.00015574 -0.00014388 0.00033772
0.02489308 -0.04896861 0.00573921
-5.56437969 11.89718215 -1.30689910
-0.00033237 -0.00024048 0.00014735
-0.00026200 0.02082344 -0.02050045
8.21518302 11.75276508 4.97604738
0.00025049 -0.00083143 -0.00008068
-0.00353269 0.03254607 -0.00391136
19.84074408 -11.17873386 -10.39426750
0.00010522 0.00008327 -0.00035963
0.00332244 -0.05659570 0.00722995
19.12447272 -5.92764975 -0.26860050
0.00031706 0.00013293 0.00024421
-0.00152385 0.01969583 -0.01198957
16.00765036 7.69379667 9.59510920
-0.00017673 -0.00015259 0.00001942
0.00329602 -0.02101785 -0.01467915
3.89194760 -14.51760525 16.60468931
-0.00019391 -0.00019817 0.00005622
0.01915615 0.00930826 -0.02232951
-3.47853482 -2.46300041 -13.76684543
-0.00046745 -0.00017650 -0.00035024
0.00335187 0.01197646 -0.00748119
16.13680933 -6.72878495 -13.35682158
0.00031635 0.00051681 0.00037266
-0.00971872 0.00214400 -0.01214093
10.61844740 -4.32777408 6.35619367
-0.00014016 -0.00017017 0.00045020
0.04441496 -0.01632429 -0.00829969
-19.53402301 0.83118768 24.97666626
0.00005879 -0.00019169 0.00025505
-0.01815424 -0.00863158 -0.00617518
24.07103501 -0.77447576 -7.53849852
0.00000677 0.00006697 0.00026513
-0.00567212 -0.01191581 0.03021121
11.47791002 -9.80227375 -11.24759924
0.00005618 0.00016982 0.00006508
0.02337537 0.00337598 0.01078276
-9.69642318 -9.92297281 16.53412293
-0.00006646 -0.00002970 0.00043213
-0.02983663 -0.01371063 -0.02014309
7.36213335 0.31763679 -28.55715188
0.00001305 -0.00035130 -0.00010471
-0.02128855 0.00117363 0.01184777
12.59027542 17.75352229 12.22686421
0.00002066 0.00013497 -0.00000561
0.00604379 -0.01962103 -0.00054433
25.92162868 7.35416454 -11.09092663
-0.00007580 0.00013886 -0.00023643
-0.01427676 0.00495584 0.01105727
3.67887436 -29.90518693 -4.83674387
-0.00058873 0.00036025 -0.00053689
0.01360535 -0.00926374 0.00732626
3.44610745 -30.83105822 -2.10917720
-0.00022706 0.00009514 0.00068278
-0.00261012 0.00251230 0.00404031
-9.91101019 3.34973755 -8.72652142
0.00058767 -0.00041321 -0.00038070
0.03351174 0.02790782 0.02208725
-11.39548794 2.69704161 -11.07292489
-0.00034452 -0.00024665 -0.00053157
-0.01010571 0.00534633 -0.01906216
-37.16741997 3.57778613 3.16392788
0.00080477 0.00031479 -0.00062993
0.00061940 -0.01570986 0.00737419
-38.76815885 1.26449049 3.50969954
-0.00010883 0.00121429 0.00051484
-0.03924454 -0.02140043 -0.00577401
-8.75460223 -3.78890450 1.55757149
-0.00062953 -0.00006198 0.00017193
-0.01224426 -0.00565422 0.00388302
-6.35385899 -4.68403643 2.65750867
0.00023595 0.00005440 -0.00027748
0.00124290 0.00132216 0.00876793
3.57557137 -1.28709811 9.04746788
0.00008560 -0.00033291 -0.00008326
-0.03396370 0.02775446 0.01629969
2.15886181 1.19121557 8.49212773
-0.00083419 -0.00027218 -0.00086796
-0.00374983 0.01977307 -0.01199560
-30.88455882 -0.48970551 3.68623785
0.00022151 -0.00015215 0.00051844
-0.00301182 0.03835586 -0.00424224
-32.93638894 1.56542987 3.04567624
-0.00022692 0.00043037 0.00035692
-0.02866817 -0.00250947 -0.00113893
15.39441639 11.95713814 -18.28412150
0.00190078 0.00037034 -0.00056294
-0.03301079 -0.02490810 -0.01165215
17.87365493 12.35090771 -17.20561024
-0.00023404 -0.00027002 -0.00039544
0.00499393 -0.00048355 0.00020839
-2.98406263 6.59101724 5.30302630
-0.00004616 -0.00071391 -0.00047561
0.00530520 -0.00915151 -0.01374967
-3.73370885 5.45132792 2.77817588
-0.00058323 0.00042939 -0.00017064
-0.00437894 0.01419496 -0.03845395
5.66185051 16.72008634 -7.97570761
0.00022394 0.00076516 0.00098876
-0.00014128 -0.00917134 -0.01828567
5.93636354 18.71247268 -6.19645425
-0.00025708 0.00037072 0.00102134
0.02787722 0.04189003 0.02052541
8.54256086 6.55999334 -22.88317378
0.00076784 -0.00043740 0.00033023
0.00953834 0.00039637 0.00888328
9.68416872 7.47951861 -20.04378708
0.00012704 -0.00016185 0.00106123
0.01454157 0.00254393 -0.00759778
19.40127015 19.94470296 -3.98779108
0.00033779 0.00005774 0.00042740
-0.00161424 0.04184295 0.02647156
20.64391236 19.60414541 -6.60341080
0.00087041 -0.00023813 -0.00078168
0.01565732 0.01777754 -0.00710913
1.97169995 13.01787751 -20.79722691
0.00071778 -0.00046715 -0.00020475
-0.00981727 0.00773639 0.00359699
0.29938053 15.37695682 -21.86053473
0.00020630 0.00075386 -0.00049081
0.02290610 -0.01908510 0.00739902
9.81074443 -7.10050487 -0.52502204
-0.00031821 -0.00106301 0.00001501
0.00031870 0.00144089 -0.00238732
9.30478144 -4.23320743 -0.42757503
-0.00065741 0.00039262 0.00002657
0.00201383 0.00066510 -0.00019131
-17.00668240 -6.35045138 6.46819398
0.00050174 -0.00049491 -0.00052819
-0.00924937 -0.00164069 0.00362772
-17.94675641 -5.56572289 3.75061209
0.00021143 0.00111277 0.00020518
-0.02569233 -0.00808863 -0.01469350
-14.37026975 -0.85182538 19.11976782
0.00059776 -0.00097225 0.00002111
-0.00731107 0.02590324 -0.04456248
-14.93208513 -0.42545188 21.94837676
-0.00022222 0.00026542 -0.00024062
-0.01243595 0.02092158 0.01683073
-0.27722729 3.01697955 -3.48305714
0.00032467 -0.00084014 -0.00042240
0.02095446 0.01873172 -0.01443824
0.86826402 2.25649731 -5.92162032
-0.00054356 0.00007265 0.00043448
0.01019914 -0.00125979 -0.00382495
20.35245983 -9.05228047 -5.70423985
-0.00079760 -0.00002547 0.00000542
-0.00045024 -0.01134841 0.02614882
22.87968328 -9.65706392 -4.51693893
-0.00050449 0.00065597 0.00060788
-0.03987317 -0.00581377 0.02608131
4.43427382 -11.26620507 6.29770066
-0.00049686 0.00015459 0.00147295
0.05895747 -0.01499635 -0.01908275
2.56200276 -11.66064109 8.38066996
-0.00002833 0.00055796 -0.00071269
0.00327625 -0.00439667 0.01496531
-2.61542165 -3.06643361 -20.24532203
0.00025885 0.00117858 -0.00028515
-0.00888482 -0.03179011 -0.01801949
-2.56470659 -1.43069077 -17.92216441
-0.00042242 0.00030076 0.00049405
0.00696893 0.00249539 -0.00599358
1.09748110 5.52183427 -11.06697569
-0.00081922 0.00013006 -0.00072690
0.00542997 0.00762888 -0.01699955
-0.78411974 4.21492769 -9.71058801
0.00012760 -0.00011938 0.00063527
-0.02466516 -0.02305452 0.03655977
-3.99523085 16.24351784 14.76555075
-0.00094185 0.00049245 -0.00062676
0.02270234 0.02586850 0.03485987
-6.64745524 15.75459983 13.92816814
0.00011694 0.00072728 -0.00041398
-0.00068020 0.00151444 0.00219434
-5.66912562 1.99375720 -6.45324646
0.00066187 0.00051814 0.00001080
-0.00563912 -0.01182875 0.00885453
-5.69098234 2.46237264 -9.28961160
0.00015953 -0.00062593 -0.00018970
-0.00058628 -0.00819939 -0.01719450
-9.57421291 -1.34502961 -4.08205957
0.00025492 -0.00129147 -0.00070206
-0.00057324 -0.00812189 -0.00166329
-9.40008763 1.41844552 -3.34278369
-0.00028787 0.00026940 0.00111145
0.01167006 -0.01113408 -0.01652354
2.39842548 29.15075493 4.52724296
0.00067138 -0.00110017 0.00033484
-0.00435604 0.00029221 -0.00814190
2.78656676 28.71223507 7.35923453
-0.00069879 -0.00094141 0.00076088
-0.00119836 -0.00748665 -0.00459420
7.28140847 -10.25465964 -3.21535472
0.00048152 -0.00020293 0.00049720
0.02434100 0.02389953 0.02729297
8.72308030 -10.99927382 -0.76416373
0.00009912 0.00016551 -0.00039224
0.00309500 0.01014138 -0.01072481
-5.31146764 -0.05366491 9.49592572
-0.00062916 -0.00068410 0.00072320
0.01362298 -0.03704628 -0.00872304
-8.19453728 0.85373895 10.09325048
0.00012284 -0.00021283 -0.00015215
0.02216311 -0.00767251 -0.00663662
19.40519262 9.37554358 7.91511041
-0.00015494 0.00044772 -0.00066863
-0.00251169 0.00227715 0.02019102
21.33945654 10.30737978 5.96957462
0.00089029 0.00046037 0.00007761
0.05497150 0.01788686 -0.00168742
-2.79647973 0.27432738 -22.48678680
0.00010192 0.00041316 0.00078303
-0.01508658 0.01105455 -0.04438600
-5.12979475 0.77703385 -24.17574523
0.00051533 -0.00058510 -0.00052551
-0.05761080 0.00299698 -0.00013603
-12.62245478 9.42134212 10.68075984
-0.00046420 0.00033374 -0.00001687
0.00292587 0.00401280 -0.00053363
-13.44139130 9.43069871 7.99833869
0.00030773 0.00045449 0.00008617
-0.00315319 0.01266169 -0.01715435
-13.75237020 4.08459346 -4.80550993
0.00016142 -0.00006699 -0.00023409
-0.01045972 0.04407096 0.01681401
-15.00552546 6.91489312 -4.84801339
0.00084246 -0.00016085 -0.00018873
-0.01451615 -0.01005129 -0.00700080
-5.33421554 -16.20575350 21.33403326
-0.00016358 -0.00006079 0.00043079
0.01005501 0.01095507 -0.01131902
-3.08331551 -15.55229185 19.51601520
0.00054399 0.00033957 -0.00005898
-0.00236230 -0.00014357 0.00120932
-6.46106650 6.74417233 -6.42697275
-0.00033133 0.00016378 -0.00060647
0.00207077 -0.02587195 0.00414779
-7.10916759 9.39008001 -5.36853787
-0.00058432 -0.00008605 0.00008077
-0.00217864 -0.00079998 -0.00944228
-20.53784231 31.05270115 -0.22120567
-0.00036985 0.00019207 0.00039223
-0.01110426 0.00326331 -0.01247027
-17.98696618 30.83623909 1.20262005
0.00014080 0.00001828 -0.00075598
-0.03152908 -0.01953477 -0.00155220
9.33027043 2.92164296 6.87492397
-0.00065973 0.00040486 -0.00061992
-0.03422838 -0.01854662 -0.03648300
9.92816353 5.45141501 8.42499852
0.00008556 0.00008559 -0.00010831
0.00116074 -0.04449013 -0.00713736
8.58130934 17.66781016 -12.61690054
-0.00053027 0.00046335 0.00104944
-0.00254870 -0.00210476 -0.00413321
8.74336283 15.25723059 -11.17434011
-0.00017717 -0.00028881 -0.00003944
-0.01152855 0.00625666 -0.00365516
12.89217041 5.66061241 0.01568215
-0.00012376 -0.00129637 0.00068612
-0.02892283 0.03924452 0.01259874
14.27549817 3.42605286 0.60821376
-0.00016369 0.00077257 0.00024365
-0.00060505 -0.00030736 -0.01307248
-4.34328902 11.51734905 -2.66860288
-0.00020246 0.00094712 -0.00180945
-0.00600873 -0.00271389 0.02060315
-5.56598509 10.49306481 -0.17375309
-0.00022774 -0.00019655 -0.00006857
0.00454184 -0.01178473 -0.00080717
7.94811971 13.62517966 4.71598532
-0.00037123 0.00043308 -0.00017682
0.00111965 -0.03022208 0.00606134
9.95863232 11.44564792 4.48154120
0.00077452 0.00006888 0.00006853
-0.00068244 -0.00347554 -0.00038480
18.43559614 -11.66093265 -9.21841846
0.00006043 0.00080613 0.00072003
0.02181181 0.00907976 -0.01259738
20.67174374 -12.92705297 -10.69483584
-0.00002288 0.00009717 -0.00012804
-0.02015277 0.04252001 0.01210773
18.90233310 -5.32092042 -2.01380510
-0.00060807 0.00099757 -0.00002666
0.00891366 -0.00637074 0.01348690
18.16164205 -7.49812384 -0.30596442
-0.00005479 0.00063524 -0.00033354
-0.00531637 -0.01369739 0.00249707
15.32725412 9.32619764 9.38276835
-0.00032412 -0.00051608 -0.00028997
-0.01075063 0.01837650 0.00156769
16.43717209 7.46103140 11.32225493
0.00056546 0.00040208 0.00010170
0.00092107 0.00189258 0.01550682
2.67450241 -15.86500148 17.03179787
0.00003756 0.00019353 0.00111879
-0.00473816 0.01438716 0.00955030
3.69339581 -12.75564115 17.10192673
-0.00027148 -0.00092201 0.00017451
-0.01703300 -0.01454887 0.00588869
-3.99494379 -4.20666868 -13.51514020
0.00001881 -0.00080184 -0.00015634
-0.00835371 -0.00736179 0.00072542
-1.73867586 -2.31399298 -13.31796909
-0.00086447 -0.00006677 -0.00027782
0.01055433 0.00149204 0.00427858
16.10553415 -7.59529708 -15.01818535
-0.00006571 0.00065261 0.00049850
-0.00341935 0.00173959 -0.00238175
17.08394613 -7.77344309 -12.23826157
-0.00004510 0.00049593 -0.00004485
0.00957609 -0.00606483 0.01252163
9.67638354 -4.61407241 4.84800971
0.00042943 0.00023573 -0.00010564
-0.02072047 0.00244560 -0.00783444
12.32058597 -4.85920889 5.64344015
-0.00044363 0.00004047 -0.00029721
-0.02755895 0.01816820 0.01999454
-21.09146173 -0.16100875 24.58530020
0.00007891 0.00102567 -0.00022597
0.01999163 0.01392353 0.01109601
-19.99900021 2.37048898 25.85442193
-0.00057540 0.00103770 -0.00069061
-0.00757631 0.00055146 -0.00235409
24.76546832 -2.49798748 -7.30008626
-0.00067669 -0.00034305 0.00033941
-0.00135827 0.01460640 -0.00332561
24.13788700 -0.36091686 -9.28548826
-0.00006528 -0.00056523 -0.00019990
0.00229865 0.00070632 -0.02639667
12.62680034 -10.10742012 -9.81893934
-0.00041852 -0.00046842 -0.00063499
-0.01282757 0.00407466 -0.00227545
12.39876800 -8.48092670 -12.15563632
0.00006714 -0.00030092 0.00064861
-0.00663974 -0.00500423 -0.00194842
-9.36632794 -9.14091911 18.13329882
0.00006276 0.00002713 -0.00009124
-0.00556920 0.00039680 0.00773090
-11.54394471 -10.38926086 16.50795292
-0.00048704 0.00121132 0.00002075
0.04321925 0.01426825 0.01113388
8.55646656 0.76323674 -29.88622571
-0.00046111 -0.00137469 -0.00086223
-0.00101444 0.00892582 -0.00337201
5.65737369 1.04585684 -28.82006275
0.00007661 -0.00036766 -0.00052319
0.02176163 -0.01035021 -0.00468201
12.51311133 19.51154201 12.42513730
-0.00011060 -0.00063917 0.00004907
-0.00620404 0.02921861 0.00873150
14.09073761 17.54419488 11.20659987
-0.00117802 -0.00059964 -0.00025850
0.00061543 -0.00460486 -0.00799300
27.57348593 7.63442849 -11.77255337
0.00067419 0.00033428 0.00061419
0.02184264 0.00163248 -0.00382391
26.04888630 7.65451391 -9.26765994
-0.00007724 -0.00086718 0.00029654
0.00048929 -0.00018822 -0.00060188
-7.23269814 4.60286859 6.70230796
0.00029038 -0.00002112 -0.00001060
-0.00124007 -0.00749568 -0.00553839
-9.03101359 8.76336040 3.86478925
0.00023765 -0.00004299 0.00003814
-0.00102420 -0.00552626 -0.00212433
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07751263
0.28611699
381.23653999
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4496589284 (a.u.)
total exchange computation time: 3.1847929955 s
-154.4411390335
-931.35945216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4483015516 (a.u.)
total exchange computation time: 3.1829710007 s
-154.4521778291
Anderson extrapolation: theta=1.3795865096 (1.3795865096)
-931.35974733
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4462937219 (a.u.)
total exchange computation time: 3.1831598282 s
-154.4681498195
Anderson extrapolation: theta=0.0645222792 (0.0645222792)
-931.35993303
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4460651902 (a.u.)
total exchange computation time: 3.1830451488 s
-154.4697893834
Anderson extrapolation: theta=2.2331914787 (2.0000000000)
-931.35994281
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4455886423 (a.u.)
total exchange computation time: 3.1820030212 s
-154.4731253400
Anderson extrapolation: theta=0.3570649516 (0.3570649516)
-931.35995502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4454289328 (a.u.)
total exchange computation time: 3.1896009445 s
-154.4741661219
Anderson extrapolation: theta=1.1490900565 (1.1490900565)
-931.35995812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4452825047 (a.u.)
total exchange computation time: 3.1827058792 s
-154.4750308444
Anderson extrapolation: theta=0.4516773620 (0.4516773620)
-931.35996067
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4452549991 (a.u.)
total exchange computation time: 3.1822750568 s
-154.4750962519
Anderson extrapolation: theta=0.8687205120 (0.8687205120)
-931.35996159
72.810402 201.487105 -294.178534
548.059450 1079.191490 -416.027884
620.869852 1280.678595 -710.206418
1590.600576
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635901163
ExchangeOperator: pair fraction: ispin=0: 0.1611465657
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4452613899 (a.u.)
total exchange computation time: 3.1819150448 s
679.98072755
-1086.22387586
89.71894152
-387.39110811
-174.99938582
79.63121496
551.60419304
0.00000000
-931.35996213
3.80194538 -31.47192295 -3.81847018
-0.00034517 0.00035834 -0.00006074
-0.00393550 0.01331578 -0.01364000
-11.13202258 2.26311356 -9.32347992
-0.00006894 -0.00007379 0.00005633
-0.02872985 -0.03537087 -0.00641705
-37.14531909 1.85316105 3.90255287
0.00008537 0.00000048 0.00022715
0.05760334 0.04529333 -0.00577160
-7.75192868 -3.57754997 3.08658802
0.00005167 -0.00012290 -0.00015095
0.01124788 -0.00525849 -0.01635220
2.18763540 -0.11325785 9.71399409
0.00022638 0.00017876 0.00006085
0.03866169 -0.04683857 -0.01463100
-31.22775861 1.41494565 3.51488940
-0.00012979 -0.00012180 -0.00000277
0.03400418 -0.03126560 0.00342897
16.39562572 13.30834988 -17.73076457
-0.00004876 -0.00026422 0.00008854
0.03766025 0.03724510 0.01245486
-3.21541116 4.97920153 4.37894679
-0.00004458 -0.00004208 -0.00045711
0.00090254 -0.01443566 0.04230608
4.84731731 17.36989719 -6.49401466
-0.00005179 -0.00007705 -0.00031987
-0.02577922 -0.02639536 -0.00145677
8.27192016 7.10840983 -21.12432741
0.00009579 0.00054095 -0.00027585
-0.02661620 -0.00172238 -0.00103160
19.58564156 18.87916418 -5.36890296
0.00053884 -0.00007456 0.00005658
-0.01130339 -0.05058617 -0.02186064
2.06435530 14.71784295 -21.46399928
-0.00018692 -0.00013676 0.00014454
-0.01485005 0.00881789 -0.00800252
10.48741454 -5.53234020 0.14400960
0.00009907 -0.00004543 -0.00017202
-0.00065171 0.00431402 0.00093373
-16.60515810 -5.52010581 4.90833252
0.00010581 -0.00011697 -0.00017165
0.03776621 0.00805712 0.01215392
-14.27496723 -1.52597165 20.72707691
0.00010230 0.00002014 0.00000091
0.01591669 -0.04098658 0.03281696
0.99946733 3.65508547 -4.73910875
-0.00035159 0.00010108 -0.00016044
-0.03071027 -0.01891924 0.02169952
20.98314019 -9.63601020 -4.02485433
-0.00002157 0.00015565 -0.00036572
0.02706851 0.01138004 -0.05547019
2.84797190 -10.82798186 6.81153033
-0.00010063 -0.00008128 -0.00016311
-0.06835272 0.02773813 0.00383105
-1.73728569 -1.69340348 -19.55025421
-0.00019906 -0.00037621 0.00025156
0.00135887 0.03630018 0.02744910
-0.64859281 5.01344969 -11.27322268
0.00026268 0.00041428 -0.00010600
-0.00009322 0.00965181 -0.01283208
-4.89824744 15.49182847 13.47299716
0.00008224 0.00001168 0.00015809
-0.02596558 -0.03053512 -0.02632279
-4.95997544 3.03600046 -7.74278219
-0.00000767 0.00006134 -0.00054832
0.00846029 0.02204976 0.00940194
-8.66955166 0.15593054 -4.53348950
0.00013751 -0.00018902 0.00017132
-0.01291853 0.02225782 0.02795633
2.92121896 27.89216905 5.72621042
0.00003712 0.00003800 -0.00024957
0.00757258 -0.01000516 0.02273946
8.73276608 -9.67154022 -2.08736370
-0.00012793 0.00028669 -0.00009093
-0.03060136 -0.04173308 -0.00699730
-6.42184199 1.31533025 9.77291020
0.00035989 0.00024683 0.00035361
-0.04204366 0.04202189 0.01265975
19.74425433 9.64127354 6.16938380
-0.00014612 -0.00032455 -0.00037497
-0.03483387 -0.00618599 -0.01964667
-3.40835771 0.68268270 -24.31924092
-0.00011838 -0.00010604 -0.00006605
0.08470205 -0.01565306 0.05280839
-13.60625495 8.43654521 9.49789418
-0.00009556 -0.00002448 -0.00003342
-0.00118445 -0.01524696 0.00643042
-13.89301579 5.80066356 -3.93487895
0.00010079 -0.00005714 0.00001002
0.03011035 -0.04409759 -0.00468601
-3.80181758 -15.12957176 21.13833006
-0.00003557 0.00014594 0.00015103
-0.00321809 -0.01122419 0.00565930
-6.21481256 8.48874591 -6.68780925
-0.00032646 0.00020204 0.00047169
0.00588206 0.02458632 -0.00658129
-19.79731107 30.22153589 1.18411872
0.00000604 0.00016820 0.00023056
0.04552112 0.01637294 0.01088535
10.35172831 3.55109022 8.14795875
-0.00008489 0.00020714 0.00008447
0.02396389 0.06424890 0.03693661
7.47595112 16.50406251 -11.72375308
0.00001231 0.00007138 -0.00014803
0.00422018 -0.01201220 0.01386083
14.00898064 4.60625725 -0.83185652
0.00016855 -0.00016864 0.00033984
0.02493248 -0.04731872 0.00251803
-5.56936622 11.89365533 -1.30476789
-0.00033148 -0.00022942 0.00013508
0.00373019 0.02215547 -0.02722070
8.21892678 11.74041911 4.97482214
0.00024893 -0.00081302 -0.00008301
-0.00255309 0.03905663 -0.00517039
19.84233526 -11.17770315 -10.39963404
0.00010630 0.00005438 -0.00035535
0.00084235 -0.05572350 0.00940306
19.12922269 -5.92557987 -0.26498357
0.00031617 0.00014369 0.00023695
-0.00194028 0.02214575 -0.01623575
16.00501207 7.69142670 9.59534385
-0.00017477 -0.00016388 0.00001244
0.00433141 -0.02287424 -0.01246122
3.88911287 -14.52054193 16.60544649
-0.00018394 -0.00019440 0.00004445
0.01959216 0.00535144 -0.02344362
-3.48553357 -2.46560167 -13.77212795
-0.00046658 -0.00017126 -0.00035411
0.00002903 0.00838283 -0.00753752
16.14151705 -6.72102459 -13.35127854
0.00031090 0.00051838 0.00036593
-0.01144664 0.00398597 -0.01400915
10.61651626 -4.33038967 6.36291465
-0.00011757 -0.00017858 0.00044543
0.04345336 -0.01637648 -0.01023741
-19.53321117 0.82827900 24.98046822
0.00004959 -0.00019432 0.00025274
-0.01763247 -0.00157325 -0.00283302
24.07111464 -0.77351711 -7.53440497
0.00000393 0.00006077 0.00027986
-0.00537145 -0.01220777 0.02703389
11.47884291 -9.79971349 -11.24658143
0.00006689 0.00017097 0.00007018
0.01824898 0.00110231 0.00903382
-9.69753511 -9.92347118 16.54052714
-0.00008206 -0.00003702 0.00042099
-0.03085813 -0.01477043 -0.02315803
7.36224702 0.31237177 -28.55867689
0.00000220 -0.00035071 -0.00009876
-0.02089715 0.00113625 0.01129648
12.59060861 17.75547121 12.22677798
0.00002259 0.00012330 -0.00000520
0.00145644 -0.02578186 0.00212708
25.92043659 7.35626658 -11.09443050
-0.00008213 0.00014164 -0.00023045
-0.01033289 0.00586597 0.01221068
3.67046024 -29.90006703 -4.84457272
-0.00053301 0.00031987 -0.00050351
0.01367376 -0.01050426 0.00901497
3.44262160 -30.82955406 -2.09881162
-0.00023640 0.00010463 0.00069126
-0.00196278 0.00213033 0.00010762
-9.90116830 3.34439458 -8.73155511
0.00072218 -0.00030194 -0.00029255
0.03233166 0.02656043 0.02106278
-11.40096544 2.69350575 -11.08148254
-0.00038397 -0.00022636 -0.00060088
-0.00920211 0.00458497 -0.01486620
-37.15532945 3.58202662 3.15470492
0.00080729 0.00024420 -0.00059651
0.00061494 -0.01884620 0.00898451
-38.77099383 1.28204907 3.51724519
-0.00027273 0.00112554 0.00049089
-0.04098878 -0.02204430 -0.00594899
-8.76442042 -3.79000746 1.56026936
-0.00067786 -0.00008562 0.00018864
-0.01141162 -0.00591909 0.00429767
-6.35028173 -4.68317989 2.65361512
0.00023964 0.00006041 -0.00024224
0.00056706 0.00162125 0.00848364
3.57581454 -1.29124134 9.04671843
-0.00005427 -0.00021758 -0.00001640
-0.03450222 0.02870336 0.01642895
2.14623410 1.18773882 8.47874082
-0.00084904 -0.00019676 -0.00091272
-0.00352026 0.01714506 -0.00991859
-30.88132853 -0.49081242 3.69388447
0.00020756 0.00000501 0.00049995
-0.00381413 0.03857493 -0.00481146
-32.94067126 1.57180859 3.05099516
-0.00034187 0.00041848 0.00035300
-0.02759915 -0.00331293 -0.00078079
15.42191660 11.96193002 -18.29292272
0.00175045 0.00025129 -0.00061959
-0.04057900 -0.03336993 -0.01607415
17.87029740 12.34684255 -17.21153544
-0.00020866 -0.00027236 -0.00039207
0.00743056 -0.00065944 0.00143896
-2.98459246 6.58002824 5.29547089
-0.00002320 -0.00074431 -0.00052722
0.00593542 -0.00573210 -0.01151722
-3.74259151 5.45820375 2.77443794
-0.00060077 0.00048680 -0.00032598
-0.00420386 0.01390514 -0.03758775
5.66520523 16.73128269 -7.96143660
0.00023241 0.00072047 0.00089771
0.00428823 -0.01270222 -0.02628218
5.93336162 18.71931719 -6.18050513
-0.00015069 0.00053328 0.00110349
0.02419927 0.03768142 0.01968742
8.55437079 6.55344454 -22.87794808
0.00080698 -0.00043604 0.00036426
0.00962198 0.00026707 0.00777214
9.68651988 7.47716888 -20.02810139
0.00017884 -0.00015346 0.00102402
0.01081367 0.00155991 -0.01062091
19.40628748 19.94685122 -3.98056894
0.00033301 0.00022420 0.00052729
-0.00072539 0.03964114 0.02242702
20.65744827 19.60111818 -6.61535390
0.00092635 -0.00016986 -0.00080042
0.01172589 0.01564210 -0.00206028
1.98216586 13.01110737 -20.80018802
0.00067533 -0.00043313 -0.00019072
-0.01096209 0.00891634 0.00327283
0.30317689 15.38767992 -21.86767012
0.00029895 0.00067287 -0.00045922
0.02244845 -0.02056304 0.00806258
9.80598109 -7.11640583 -0.52487006
-0.00031258 -0.00104445 0.00000962
0.00243572 0.00764322 -0.00024906
9.29498206 -4.22729781 -0.42718236
-0.00064297 0.00038770 0.00002834
0.00505329 -0.00307250 0.00105700
-16.99943976 -6.35792536 6.46038232
0.00046248 -0.00050279 -0.00051056
-0.00996538 -0.00221245 0.00499973
-17.94437220 -5.54927918 3.75323947
0.00010191 0.00107952 0.00014190
-0.02792032 -0.00818692 -0.01627949
-14.36152738 -0.86561531 19.11871887
0.00056758 -0.00086362 -0.00016705
-0.00746104 0.02726768 -0.04754008
-14.93579951 -0.42082954 21.94528325
-0.00027203 0.00034915 -0.00017487
-0.01194429 0.02006700 0.01535391
-0.27171514 3.00495147 -3.48983564
0.00040678 -0.00076295 -0.00047678
0.01924015 0.01905051 -0.01217685
0.86042321 2.25754845 -5.91522038
-0.00050071 0.00006433 0.00041348
0.01077373 -0.00281212 -0.00645528
20.34048209 -9.05301019 -5.70335725
-0.00079771 -0.00007105 0.00011027
0.00039470 -0.01096521 0.02517381
22.87089416 -9.64740257 -4.50702145
-0.00066057 0.00063209 0.00071060
-0.03653216 -0.00587590 0.02420064
4.42862756 -11.26434580 6.31921015
-0.00023866 0.00008949 0.00138866
0.06743529 -0.01687050 -0.02217781
2.56167818 -11.65240642 8.37043820
-0.00001906 0.00053444 -0.00063917
0.00126320 -0.00711721 0.02102419
-2.61181120 -3.04972912 -20.25015138
0.00021080 0.00103218 -0.00036598
-0.01463569 -0.03987150 -0.02154799
-2.57082939 -1.42610297 -17.91493727
-0.00039201 0.00030843 0.00046366
0.00792026 0.00126047 -0.00888532
1.08535918 5.52401890 -11.07840003
-0.00078071 0.00016555 -0.00079333
0.01342004 0.00974411 -0.01551891
-0.78296161 4.21243060 -9.69993872
0.00002947 -0.00020417 0.00076693
-0.02336735 -0.01845185 0.02788861
-4.00866299 16.25169728 14.75721752
-0.00083920 0.00060588 -0.00047204
0.02754698 0.02965828 0.04087630
-6.64572193 15.76555543 13.92202562
0.00011264 0.00073297 -0.00040558
-0.00142615 0.00127298 0.00191870
-5.65937039 2.00116683 -6.45281307
0.00063813 0.00046892 0.00004796
-0.00598213 -0.01226645 0.00933565
-5.68860738 2.45273240 -9.29298398
0.00015602 -0.00066025 -0.00026150
-0.00112973 -0.00860123 -0.01795114
-9.57040668 -1.36465051 -4.09264146
0.00025720 -0.00131402 -0.00071001
0.00169050 -0.00291870 -0.00222810
-9.40404800 1.42214541 -3.32661828
-0.00023604 0.00021356 0.00103613
0.01369680 -0.01620225 -0.02034753
2.40836274 29.13426130 4.53201609
0.00064710 -0.00108227 0.00028846
-0.00752985 0.00846894 -0.01456101
2.77604811 28.69788457 7.37050701
-0.00070309 -0.00097412 0.00073387
-0.00090384 -0.00852699 -0.00863026
7.28937722 -10.25697126 -3.20706044
0.00057461 -0.00010625 0.00060287
0.02122328 0.02342547 0.02443362
8.72466194 -10.99648041 -0.77037595
0.00011273 0.00020555 -0.00043365
0.00356872 0.00945803 -0.00954507
-5.32048757 -0.06506155 9.50650644
-0.00057337 -0.00083298 0.00068728
0.01368555 -0.03583441 -0.00885915
-8.19201559 0.85031143 10.09076485
0.00021517 -0.00024145 -0.00017919
0.02303407 -0.00633852 -0.00659724
19.40279157 9.38232912 7.90569965
-0.00016693 0.00045589 -0.00057979
-0.00335645 0.00172284 0.02329911
21.35449545 10.31483342 5.97068707
0.00109002 0.00052343 0.00007335
0.04279762 0.01298120 -0.00039691
-2.79541320 0.28086351 -22.47640154
0.00003796 0.00045880 0.00059608
-0.01622282 0.01128568 -0.04712451
-5.12383024 0.76834921 -24.18363204
0.00026640 -0.00057260 -0.00052492
-0.06423944 0.00312017 0.00042339
-12.62932817 9.42647120 10.68049041
-0.00045235 0.00034923 -0.00001830
0.00287547 0.00356690 -0.00016525
-13.43687204 9.43790402 7.99910558
0.00029383 0.00050378 0.00001805
-0.00365008 0.01146746 -0.01619174
-13.75026946 4.08493906 -4.80850599
0.00011903 0.00011320 -0.00016517
-0.01028783 0.04413608 0.01692240
-14.99333333 6.91217235 -4.85105882
0.00077974 -0.00019763 -0.00022016
-0.01618653 -0.00795301 -0.00838604
-5.33636108 -16.20632966 21.34014819
-0.00012072 -0.00001534 0.00038299
0.01092506 0.01129127 -0.01207582
-3.07522809 -15.54720274 19.51516750
0.00053115 0.00033970 -0.00004883
-0.00391977 0.00020647 0.00375906
-6.46597303 6.74583630 -6.43594264
-0.00032349 0.00005716 -0.00058895
0.00176752 -0.02631959 0.00442438
-7.11799912 9.38876478 -5.36761572
-0.00059563 -0.00008798 0.00004579
-0.00335893 -0.00014388 -0.00767866
-20.54373037 31.05568221 -0.21570435
-0.00041519 0.00020464 0.00034230
-0.01109048 0.00288827 -0.01196887
-17.98582035 30.83591467 1.19123273
0.00001196 -0.00006156 -0.00076113
-0.03153996 -0.01954661 -0.00096819
9.31932563 2.92714757 6.86450718
-0.00078957 0.00033486 -0.00075631
-0.02933115 -0.01571962 -0.03027993
9.92948243 5.45133554 8.42315516
0.00009012 -0.00009391 -0.00013654
0.00107588 -0.04337701 -0.00668310
8.57327712 17.67469591 -12.60128566
-0.00053458 0.00045997 0.00102816
0.00044031 0.00045226 -0.00627989
8.74035206 15.25309009 -11.17504371
-0.00022511 -0.00026122 -0.00005554
-0.01193940 0.00725156 -0.00422610
12.88942778 5.64236948 0.02636002
-0.00024633 -0.00113120 0.00073820
-0.03107637 0.04160655 0.01289430
14.27302431 3.43763206 0.61146792
-0.00016220 0.00076294 0.00019594
0.00133158 -0.00440660 -0.01028208
-4.34651007 11.53147275 -2.69511333
-0.00023661 0.00093659 -0.00171116
-0.01070576 -0.00244479 0.02751409
-5.56926196 10.48975543 -0.17480643
-0.00020744 -0.00024742 -0.00007228
0.00539390 -0.01311549 -0.00100685
7.94258564 13.63074980 4.71351869
-0.00036440 0.00029617 -0.00015047
0.00221910 -0.03679964 0.00684158
9.97022925 11.44657458 4.48255731
0.00076772 0.00005521 0.00006806
-0.00264738 -0.00321654 0.00015725
18.43717092 -11.64856246 -9.20800402
0.00015387 0.00084342 0.00066415
0.02392913 0.00917275 -0.01475553
20.67078304 -12.92429245 -10.69638547
-0.00010478 0.00026905 -0.00007872
-0.01994035 0.04161805 0.01203508
18.89348519 -5.30615214 -2.01379176
-0.00056995 0.00096876 0.00003592
0.00974775 -0.00772961 0.01714776
18.16065726 -7.48901493 -0.31089105
-0.00007741 0.00057645 -0.00032260
-0.00575761 -0.01507984 0.00285971
15.32206289 9.31901952 9.37846683
-0.00036924 -0.00043773 -0.00028408
-0.01133664 0.01997668 0.00131407
16.44568215 7.46712054 11.32425566
0.00056835 0.00041041 0.00016108
0.00049789 0.00218796 0.01355983
2.67492057 -15.86165762 17.04887236
0.00001792 0.00025057 0.00115701
-0.00487464 0.01353176 0.00915688
3.68880168 -12.76991710 17.10472484
-0.00034131 -0.00097141 0.00020099
-0.01714846 -0.00963168 0.00707262
-3.99491760 -4.21892183 -13.51746311
-0.00001441 -0.00082507 -0.00015455
-0.00791042 -0.00400902 0.00015020
-1.75131951 -2.31494878 -13.32200528
-0.00081559 -0.00005955 -0.00025898
0.01337550 0.00204296 0.00494424
16.10444371 -7.58545462 -15.01078085
-0.00007973 0.00065876 0.00048758
-0.00344516 0.00126917 -0.00296125
17.08356305 -7.76618996 -12.23855057
-0.00000234 0.00046686 0.00001066
0.01135441 -0.00816372 0.01464861
9.68219004 -4.61046155 4.84618501
0.00034427 0.00024651 -0.00013537
-0.02096495 0.00283303 -0.00671725
12.31308698 -4.85804508 5.63959467
-0.00055299 0.00011409 -0.00021435
-0.02597287 0.01786739 0.02056634
-21.08966551 -0.14519703 24.58225070
0.00015517 0.00107730 -0.00018259
0.01733868 0.01134827 0.01013731
-20.00786342 2.38607139 25.84399057
-0.00060223 0.00103095 -0.00070493
-0.00555564 -0.00385561 -0.00465340
24.75527635 -2.50268559 -7.29509702
-0.00068213 -0.00028201 0.00032585
-0.00130380 0.01527094 -0.00331366
24.13697823 -0.36937372 -9.28929565
-0.00005631 -0.00056299 -0.00030188
0.00209247 0.00039039 -0.02352211
12.62012947 -10.11432163 -9.82853397
-0.00046455 -0.00045384 -0.00063585
-0.00970237 0.00306352 0.00185643
12.39957164 -8.48559380 -12.14596683
0.00004375 -0.00031481 0.00063564
-0.00481173 -0.00179819 -0.00440198
-9.36555722 -9.14050002 18.13216707
0.00004116 0.00003176 -0.00005354
-0.00500142 0.00186990 0.01072425
-11.54992593 -10.37065382 16.50860541
-0.00030985 0.00126883 0.00006649
0.04351838 0.01388384 0.01125607
8.54951889 0.74288986 -29.89926248
-0.00046488 -0.00133813 -0.00087487
-0.00083415 0.00897128 -0.00281359
5.65918961 1.04002480 -28.82805409
0.00016438 -0.00041000 -0.00054186
0.02120564 -0.01037742 -0.00445423
12.51126222 19.50284976 12.42614086
-0.00013580 -0.00050676 0.00008578
-0.00612984 0.03559729 0.00923947
14.07308624 17.53505921 11.20247750
-0.00116614 -0.00061864 -0.00029775
0.00519653 -0.00469930 -0.01122287
27.58426803 7.63949273 -11.76345776
0.00075676 0.00033993 0.00060011
0.01857854 0.00113207 -0.00306804
26.04774265 7.64150045 -9.26323028
-0.00007664 -0.00086854 0.00028945
-0.00019404 -0.00047768 -0.00286959
-7.22834578 4.60253164 6.70213408
0.00028993 -0.00002381 -0.00001257
-0.00129482 -0.00751391 -0.00548391
-9.02745067 8.76270599 3.86535772
0.00023741 -0.00004433 0.00003765
-0.00105387 -0.00603265 -0.00211765
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07786843
0.28209369
375.87570426
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4473213291 (a.u.)
total exchange computation time: 3.1276049614 s
-154.4326270593
-931.35657173
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4460355405 (a.u.)
total exchange computation time: 3.1284768581 s
-154.4438099670
Anderson extrapolation: theta=1.3821839034 (1.3821839034)
-931.35687688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4442063321 (a.u.)
total exchange computation time: 3.1273779869 s
-154.4596963762
Anderson extrapolation: theta=0.0670607086 (0.0670607086)
-931.35707100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4440538384 (a.u.)
total exchange computation time: 3.1309599876 s
-154.4611119097
Anderson extrapolation: theta=2.3437485239 (2.0000000000)
-931.35708217
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4437642605 (a.u.)
total exchange computation time: 3.1269807816 s
-154.4638708652
Anderson extrapolation: theta=0.4365268193 (0.4365268193)
-931.35709677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4436726679 (a.u.)
total exchange computation time: 3.1277918816 s
-154.4648150488
Anderson extrapolation: theta=1.0138038571 (1.0138038571)
-931.35710083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4436270080 (a.u.)
total exchange computation time: 3.1290910244 s
-154.4653772045
Anderson extrapolation: theta=0.5461110094 (0.5461110094)
-931.35710344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4436452807 (a.u.)
total exchange computation time: 3.1292939186 s
-154.4653114240
Anderson extrapolation: theta=0.7457949031 (0.7457949031)
-931.35710421
72.863278 201.525086 -294.189570
548.007271 1079.220967 -416.035546
620.870549 1280.746053 -710.225117
1590.663512
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4436893758 (a.u.)
total exchange computation time: 3.1255490780 s
679.96914672
-1086.19225278
89.71826421
-387.41161143
-174.99696168
79.61417904
551.60419304
0.00000000
-931.35710434
3.79675265 -31.46649650 -3.81943391
-0.00034737 0.00036549 -0.00006705
-0.00461821 0.01448333 -0.01090665
-11.13316757 2.26187029 -9.32265966
-0.00008329 -0.00009111 0.00005228
-0.02704037 -0.03200444 -0.00934023
-37.14381628 1.85334300 3.90593786
0.00011502 0.00002445 0.00022375
0.05769997 0.04790464 -0.00744955
-7.75111021 -3.57941379 3.08426075
0.00005733 -0.00012557 -0.00015937
0.01074932 -0.00512566 -0.01641027
2.19118019 -0.11075713 9.71485037
0.00024614 0.00015540 0.00005272
0.03820159 -0.04401756 -0.01697999
-31.22957431 1.41299798 3.51486107
-0.00011269 -0.00013756 -0.00000104
0.03248578 -0.02999086 0.00329750
16.39503961 13.30453030 -17.72938836
-0.00002844 -0.00024320 0.00009572
0.04134182 0.04446636 0.01544487
-3.21607637 4.97851460 4.37225330
-0.00004444 -0.00005030 -0.00043661
-0.00035109 -0.01752062 0.03742159
4.84644103 17.36863958 -6.49881834
-0.00006501 -0.00008832 -0.00031828
-0.02563831 -0.01740279 0.00764064
8.27325440 7.11651739 -21.12846921
0.00008307 0.00054040 -0.00027530
-0.02285573 -0.00040832 0.00317013
19.59368061 18.87785069 -5.36813863
0.00053375 -0.00009912 0.00004535
-0.00851616 -0.04494980 -0.02179943
2.06149423 14.71582556 -21.46186207
-0.00019405 -0.00013224 0.00014040
-0.01286255 0.00874061 -0.00810589
10.48889810 -5.53300508 0.14143286
0.00009753 -0.00004372 -0.00017234
-0.00534151 0.00236611 -0.00214972
-16.60342530 -5.52182931 4.90580472
0.00012570 -0.00011272 -0.00016551
0.03958018 0.00845838 0.01171261
-14.27337134 -1.52582764 20.72721712
0.00011023 -0.00000065 0.00001856
0.01494296 -0.03986305 0.03580816
0.99407504 3.65652870 -4.74143169
-0.00036703 0.00009173 -0.00014931
-0.02933522 -0.01742883 0.02159508
20.98292111 -9.63363162 -4.03055414
-0.00000895 0.00016135 -0.00039334
0.02200912 0.01081938 -0.05193539
2.84619880 -10.82909408 6.80909844
-0.00013661 -0.00006614 -0.00016213
-0.07158118 0.03113965 0.00000397
-1.74026635 -1.69890657 -19.54637485
-0.00019725 -0.00035542 0.00026716
0.00568700 0.04455536 0.03318153
-0.64465297 5.01970113 -11.27486215
0.00026011 0.00041734 -0.00011055
-0.00990062 0.00225611 -0.00485151
-4.89711397 15.49188585 13.47526700
0.00006821 -0.00000473 0.00014361
-0.02859766 -0.03325354 -0.02999719
-4.96005790 3.03700561 -7.75097072
-0.00000322 0.00007282 -0.00054338
0.00885242 0.02258491 0.00981606
-8.66753887 0.15318114 -4.53081181
0.00012993 -0.00017780 0.00018664
-0.01654578 0.02137275 0.03160767
2.92180504 27.89270049 5.72255453
0.00004178 0.00003097 -0.00023521
0.01051795 -0.01735832 0.03310998
8.73072905 -9.66740084 -2.08875457
-0.00014283 0.00026563 -0.00009398
-0.02733479 -0.04018156 -0.00488050
-6.41660579 1.31919477 9.77826312
0.00033842 0.00026748 0.00035997
-0.04146228 0.03830356 0.01210223
19.74192822 9.63638146 6.16368346
-0.00016049 -0.00032625 -0.00038604
-0.02106164 -0.00042686 -0.02340100
-3.40980670 0.68103171 -24.32002801
-0.00007374 -0.00011412 -0.00003848
0.08889310 -0.01575800 0.05440286
-13.60769286 8.43611922 9.49741772
-0.00009601 -0.00003174 -0.00003055
-0.00059074 -0.01299899 0.00471070
-13.89138773 5.79963631 -3.93474679
0.00011660 -0.00008012 0.00000796
0.03136867 -0.04523536 -0.00330774
-3.80236357 -15.12742601 21.14061739
-0.00003706 0.00013991 0.00015350
-0.00257866 -0.01219427 0.00393477
-6.21968676 8.49187138 -6.68075922
-0.00032304 0.00021431 0.00046781
0.00742344 0.02313924 -0.00851618
-19.79704490 30.22412207 1.18761908
0.00002916 0.00017672 0.00023573
0.04437152 0.01674823 0.00922130
10.35054746 3.55444522 8.14936827
-0.00007400 0.00023877 0.00010143
0.01837290 0.05871667 0.02902971
7.47615206 16.50508681 -11.72592001
0.00001374 0.00006434 -0.00014026
0.00132293 -0.01534429 0.01636007
14.01160508 4.60354516 -0.82674922
0.00018104 -0.00019213 0.00034048
0.02361535 -0.04404021 -0.00003142
-5.57432397 11.89029943 -1.30284667
-0.00032871 -0.00021771 0.00011960
0.00703763 0.02339037 -0.03296901
8.22265085 11.72837445 4.97355700
0.00024788 -0.00079158 -0.00008594
-0.00153109 0.04432476 -0.00621272
19.84393294 -11.17710233 -10.40492803
0.00010611 0.00002620 -0.00035002
-0.00154936 -0.05386344 0.01134293
19.13395768 -5.92333914 -0.26149189
0.00031500 0.00015555 0.00022767
-0.00259399 0.02397147 -0.01985457
16.00240719 7.68888026 9.59548237
-0.00017234 -0.00017592 0.00000668
0.00514050 -0.02395012 -0.00992180
3.88642929 -14.52343733 16.60602281
-0.00017376 -0.00019275 0.00003210
0.02000428 0.00106568 -0.02458880
-3.49253211 -2.46813826 -13.77746862
-0.00046731 -0.00016786 -0.00035797
-0.00288981 0.00483966 -0.00749786
16.14613647 -6.71323348 -13.34584358
0.00030466 0.00052081 0.00035836
-0.01284271 0.00543931 -0.01542489
10.61492034 -4.33313159 6.36955666
-0.00009574 -0.00018698 0.00043963
0.04142442 -0.01625411 -0.01234435
-19.53253536 0.82535819 24.98424833
0.00004081 -0.00019324 0.00025213
-0.01648543 0.00574545 0.00049489
24.07115283 -0.77265263 -7.53010286
0.00000120 0.00005455 0.00029272
-0.00522310 -0.01199444 0.02300221
11.47991658 -9.79714473 -11.24549393
0.00007487 0.00017094 0.00007432
0.01278147 -0.00120912 0.00707513
-9.69888510 -9.92408351 16.54675270
-0.00009789 -0.00004477 0.00040842
-0.03069839 -0.01537119 -0.02571933
7.36219947 0.30711552 -28.56011475
-0.00000827 -0.00035019 -0.00009313
-0.01982563 0.00088102 0.01061487
12.59095303 17.75722122 12.22670817
0.00002219 0.00010880 -0.00000339
-0.00301854 -0.03059379 0.00493640
25.91916479 7.35841388 -11.09784018
-0.00008630 0.00014490 -0.00022393
-0.00590407 0.00678508 0.01315963
3.66288414 -29.89559090 -4.85184909
-0.00047712 0.00027514 -0.00046379
0.01368290 -0.01138864 0.01042454
3.43901546 -30.82791935 -2.08843945
-0.00024311 0.00011258 0.00068368
-0.00132034 0.00176044 -0.00381598
-9.88934492 3.34067941 -8.73529793
0.00084861 -0.00019889 -0.00021021
0.02955887 0.02387987 0.01924497
-11.40700690 2.69025089 -11.09095129
-0.00041947 -0.00020920 -0.00065250
-0.00817737 0.00381446 -0.01040235
-37.14320123 3.58511210 3.14603258
0.00080966 0.00016217 -0.00055707
0.00054524 -0.02130647 0.01032362
-38.77634084 1.29825664 3.52442624
-0.00043987 0.00103564 0.00046715
-0.04082348 -0.02196179 -0.00567194
-8.77493799 -3.79147317 1.56323062
-0.00072253 -0.00011037 0.00020719
-0.01045591 -0.00619270 0.00478599
-6.34666971 -4.68222399 2.65024149
0.00024065 0.00006749 -0.00020828
-0.00007335 0.00184279 0.00813961
3.57394321 -1.29362545 9.04697585
-0.00019464 -0.00009984 0.00005020
-0.03421066 0.02892848 0.01617078
2.13339064 1.18531283 8.46474604
-0.00086284 -0.00013324 -0.00094765
-0.00323395 0.01394644 -0.00717800
-30.87833199 -0.48955521 3.70123621
0.00019063 0.00016143 0.00047932
-0.00447499 0.03799289 -0.00528366
-32.94664503 1.57798428 3.05626624
-0.00045019 0.00040311 0.00035114
-0.02542579 -0.00420867 -0.00013086
15.44692987 11.96467678 -18.30270907
0.00157281 0.00010331 -0.00069302
-0.04637565 -0.03906752 -0.01987303
17.86739526 12.34273697 -17.21737245
-0.00017347 -0.00027528 -0.00038369
0.00979250 -0.00077221 0.00266715
-2.98475853 6.56868793 5.28720963
0.00000245 -0.00075997 -0.00056915
0.00662086 -0.00193144 -0.00900592
-3.75173181 5.46593178 2.76839639
-0.00061640 0.00054197 -0.00047441
-0.00344960 0.01310486 -0.03506690
5.66882276 16.74170057 -7.94877632
0.00025902 0.00066205 0.00077486
0.00873727 -0.01589731 -0.03385341
5.93184278 18.72847105 -6.16334944
-0.00006159 0.00067541 0.00118092
0.01941796 0.03189494 0.01821549
8.56677041 6.54691211 -22.87224606
0.00084634 -0.00043528 0.00039367
0.00964092 0.00010706 0.00662600
9.68953377 7.47491475 -20.01306660
0.00021550 -0.00014892 0.00097452
0.00713178 0.00066558 -0.01360902
19.41126035 19.95142893 -3.97197232
0.00033208 0.00037958 0.00060817
0.00027209 0.03641914 0.01716196
20.67170282 19.59904959 -6.62742328
0.00096595 -0.00011053 -0.00079821
0.00766101 0.01340012 0.00313987
1.99195994 13.00488367 -20.80294854
0.00062835 -0.00039455 -0.00017791
-0.01203613 0.00996579 0.00299871
0.30834902 15.39714280 -21.87431139
0.00038867 0.00058648 -0.00042526
0.02147108 -0.02172274 0.00856300
9.80136702 -7.13183836 -0.52473335
-0.00029866 -0.00100145 0.00001252
0.00438072 0.01340577 0.00166885
9.28549238 -4.22157650 -0.42672492
-0.00061653 0.00036811 0.00003495
0.00789063 -0.00651563 0.00218154
-16.99280786 -6.36553494 6.45287707
0.00042046 -0.00051276 -0.00048775
-0.01060340 -0.00267197 0.00616817
-17.94369912 -5.53333723 3.75486915
-0.00001441 0.00104603 0.00007410
-0.02901803 -0.00820985 -0.01691196
-14.35324227 -0.87773412 19.11475636
0.00053708 -0.00075140 -0.00036262
-0.00746894 0.02766578 -0.04819183
-14.94024590 -0.41497736 21.94313072
-0.00031898 0.00042805 -0.00011661
-0.01104203 0.01855581 0.01316246
-0.26502385 2.99409092 -3.49736040
0.00048087 -0.00068515 -0.00052090
0.01702704 0.01903668 -0.00942185
0.85324267 2.25842726 -5.90921606
-0.00045556 0.00004980 0.00038195
0.01132651 -0.00429991 -0.00897601
20.32852853 -9.05441194 -5.70093184
-0.00079481 -0.00011457 0.00020977
0.00102301 -0.01033688 0.02353308
22.85986613 -9.63810133 -4.49562080
-0.00080098 0.00060810 0.00080502
-0.03220054 -0.00586377 0.02201649
4.42711415 -11.26352045 6.33936045
0.00004702 0.00001865 0.00129453
0.07240383 -0.01780570 -0.02389957
2.56143102 -11.64460794 8.36149493
-0.00001787 0.00050027 -0.00054172
-0.00068150 -0.00960793 0.02667627
-2.60909771 -3.03546820 -20.25630132
0.00014073 0.00085544 -0.00046024
-0.01966481 -0.04664362 -0.02459630
-2.57646680 -1.42143793 -17.90825467
-0.00035820 0.00031104 0.00042218
0.00862891 0.00002036 -0.01141852
1.07405972 5.52680071 -11.09077547
-0.00070943 0.00020959 -0.00085345
0.02147464 0.01181629 -0.01391336
-0.78323557 4.20880266 -9.68758025
-0.00006282 -0.00026917 0.00086160
-0.02181201 -0.01336683 0.01845290
-4.02040688 16.26169436 14.75138945
-0.00071954 0.00073287 -0.00029650
0.03102813 0.03250217 0.04505241
-6.64407602 15.77658905 13.91600068
0.00010535 0.00073768 -0.00039832
-0.00214334 0.00102966 0.00163702
-5.64998178 2.00782469 -6.45180754
0.00061351 0.00041865 0.00008608
-0.00607077 -0.01233932 0.00932415
-5.68630167 2.44256503 -9.29745651
0.00015082 -0.00069581 -0.00033524
-0.00141441 -0.00880595 -0.01814650
-9.56649684 -1.38445029 -4.10335990
0.00026864 -0.00131533 -0.00072008
0.00390625 0.00227712 -0.00270242
-9.40716894 1.42485232 -3.31169989
-0.00017686 0.00013863 0.00094656
0.01527347 -0.02047429 -0.02349553
2.41783853 29.11828669 4.53589683
0.00060986 -0.00103095 0.00021572
-0.01070211 0.01665478 -0.02104650
2.76547408 28.68301149 7.38125057
-0.00070615 -0.00101053 0.00069095
-0.00059517 -0.00929742 -0.01237709
7.29864667 -10.25784723 -3.19726871
0.00065330 -0.00001232 0.00069551
0.01729583 0.02255488 0.02091436
8.72646230 -10.99310736 -0.77717315
0.00012826 0.00024217 -0.00046961
0.00403049 0.00846972 -0.00805646
-5.32866876 -0.07865434 9.51654422
-0.00051901 -0.00097433 0.00065118
0.01292356 -0.03335445 -0.00881382
-8.18808223 0.84649545 10.08787489
0.00030961 -0.00026485 -0.00020577
0.02319377 -0.00511762 -0.00641757
19.40018482 9.38922024 7.89771680
-0.00018202 0.00046209 -0.00047992
-0.00403157 0.00131033 0.02558820
21.37215727 10.32308263 5.97177519
0.00123843 0.00056560 0.00007437
0.02984680 0.00766060 0.00089340
-2.79534092 0.28809131 -22.46890436
-0.00002995 0.00050489 0.00040001
-0.01701783 0.01127776 -0.04885190
-5.12180272 0.75985578 -24.19149290
-0.00000296 -0.00056009 -0.00052268
-0.06761545 0.00300517 0.00067424
-12.63602532 9.43181887 10.68021085
-0.00044086 0.00036276 -0.00001843
0.00274801 0.00305738 0.00010152
-13.43257648 9.44581212 7.99888015
0.00027779 0.00054736 -0.00004495
-0.00420101 0.00986319 -0.01464817
-13.74879923 4.08798960 -4.81046493
0.00007766 0.00029160 -0.00009671
-0.00996217 0.04318994 0.01658616
-14.98213320 6.90896417 -4.85461821
0.00071075 -0.00022621 -0.00025672
-0.01758554 -0.00603395 -0.00951223
-5.33783706 -16.20621382 21.34552304
-0.00007408 0.00003170 0.00033221
0.01190555 0.01173668 -0.01278355
-3.06738091 -15.54210097 19.51455019
0.00051203 0.00034117 -0.00002852
-0.00543942 0.00051562 0.00618270
-6.47077123 6.74588725 -6.44464138
-0.00031656 -0.00004895 -0.00057066
0.00162373 -0.02562424 0.00453272
-7.12703652 9.38744074 -5.36716416
-0.00061198 -0.00008709 0.00001824
-0.00464635 0.00057672 -0.00580956
-20.55029813 31.05884029 -0.21093655
-0.00045988 0.00021507 0.00029548
-0.01078479 0.00221638 -0.01095324
-17.98660748 30.83439231 1.17978608
-0.00011515 -0.00014080 -0.00076397
-0.03067834 -0.01924302 -0.00041943
9.30658324 2.93168878 6.85223465
-0.00089754 0.00027732 -0.00086502
-0.02352065 -0.01244626 -0.02293334
9.93086727 5.44859765 8.42090222
0.00009406 -0.00026707 -0.00016270
0.00085041 -0.04138443 -0.00612067
8.56527190 17.68160938 -12.58605564
-0.00052675 0.00046708 0.00099832
0.00339421 0.00302600 -0.00832814
8.73660957 15.24939402 -11.17600632
-0.00027411 -0.00023011 -0.00007370
-0.01204757 0.00797548 -0.00466115
12.88478060 5.62667645 0.03782814
-0.00037440 -0.00095933 0.00078936
-0.03161579 0.04252397 0.01215119
14.27063206 3.44894118 0.61409192
-0.00015292 0.00073627 0.00016048
0.00321130 -0.00864856 -0.00707674
-4.35038723 11.54544661 -2.71993755
-0.00028840 0.00092657 -0.00158622
-0.01464930 -0.00245725 0.03364447
-5.57220827 10.48564226 -0.17592148
-0.00018377 -0.00030295 -0.00007735
0.00619068 -0.01406527 -0.00147736
7.93718757 13.63406463 4.71147135
-0.00035336 0.00013487 -0.00012128
0.00318849 -0.04215519 0.00744341
9.98166393 11.44730411 4.48358306
0.00075263 0.00004260 0.00006984
-0.00473934 -0.00295342 0.00071154
18.44021222 -11.63563012 -9.19849388
0.00025479 0.00088077 0.00060032
0.02547184 0.00910962 -0.01649107
20.66860028 -12.91898132 -10.69719750
-0.00018481 0.00043539 -0.00003007
-0.01923574 0.03980254 0.01177904
18.88523467 -5.29185759 -2.01272750
-0.00052852 0.00093481 0.00011215
0.01053274 -0.00888919 0.02016906
18.15931962 -7.48083021 -0.31564241
-0.00010131 0.00051302 -0.00031019
-0.00593804 -0.01597340 0.00321494
15.31617687 9.31306570 9.37424585
-0.00041608 -0.00035460 -0.00027899
-0.01158883 0.02071544 0.00117700
16.45422272 7.47334377 11.32708742
0.00056920 0.00042004 0.00021155
-0.00008449 0.00252277 0.01114567
2.67503997 -15.85748445 17.06650803
-0.00000212 0.00030399 0.00119349
-0.00493450 0.01261810 0.00870284
3.68315658 -12.78478333 17.10795641
-0.00041151 -0.00099996 0.00023243
-0.01721583 -0.00434661 0.00831968
-3.99537620 -4.23142068 -13.51977683
-0.00004585 -0.00083447 -0.00015512
-0.00747550 -0.00059340 -0.00042910
-1.76314343 -2.31577936 -13.32573845
-0.00075609 -0.00005016 -0.00023761
0.01574960 0.00255090 0.00551570
16.10314214 -7.57553438 -15.00355784
-0.00009382 0.00066297 0.00047429
-0.00344976 0.00079509 -0.00354510
17.08387585 -7.75943715 -12.23794183
0.00004690 0.00043003 0.00007394
0.01274997 -0.00986888 0.01632910
9.68671168 -4.60667707 4.84394862
0.00025884 0.00025900 -0.00015946
-0.02085279 0.00328074 -0.00507302
12.30399621 -4.85578625 5.63700962
-0.00065431 0.00018594 -0.00012992
-0.02362306 0.01730340 0.02076193
-21.08680667 -0.12868981 24.57982247
0.00021927 0.00111755 -0.00014358
0.01403872 0.00835608 0.00895975
-20.01706711 2.40141751 25.83327403
-0.00062076 0.00100653 -0.00072815
-0.00351388 -0.00809703 -0.00671070
24.74500448 -2.50644780 -7.29031087
-0.00068702 -0.00021906 0.00031251
-0.00108952 0.01554556 -0.00321578
24.13619770 -0.37780665 -9.29454463
-0.00004825 -0.00056229 -0.00039047
0.00185351 -0.00004501 -0.01984337
12.61286398 -10.12103539 -9.83801482
-0.00049727 -0.00044362 -0.00061925
-0.00631538 0.00194204 0.00627041
12.40008038 -8.49037110 -12.13656712
0.00002812 -0.00031531 0.00061255
-0.00283663 0.00155289 -0.00690094
-9.36509301 -9.13996632 18.13169257
0.00002201 0.00004205 -0.00000455
-0.00437693 0.00316502 0.01325780
-11.55324008 -10.35119589 16.50994775
-0.00013366 0.00132416 0.00011249
0.04272672 0.01319760 0.01125745
8.54252011 0.72309280 -29.91247167
-0.00046811 -0.00130154 -0.00088477
-0.00074635 0.00893890 -0.00203718
5.66230515 1.03355677 -28.83631843
0.00024863 -0.00045193 -0.00055967
0.02003284 -0.01014523 -0.00426781
12.50903744 19.49633913 12.42771067
-0.00016046 -0.00035112 0.00012416
-0.00594365 0.04058877 0.00955013
14.05575335 17.52563555 11.19766732
-0.00113602 -0.00063797 -0.00035004
0.00954945 -0.00476138 -0.01437507
27.59618875 7.64462635 -11.75455018
0.00082491 0.00034336 0.00058941
0.01478273 0.00054945 -0.00216999
26.04658711 7.62845771 -9.25897649
-0.00007882 -0.00087097 0.00027326
-0.00087119 -0.00071328 -0.00505555
-7.22400037 4.60215435 6.70193076
0.00028945 -0.00002650 -0.00001453
-0.00135007 -0.00751605 -0.00544234
-9.02389142 8.76203058 3.86591882
0.00023710 -0.00004592 0.00003715
-0.00159109 -0.00770891 -0.00217186
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07700580
0.28009855
373.21726881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4444275548 (a.u.)
total exchange computation time: 3.1274809837 s
-154.4112498401
-931.35680352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4430436675 (a.u.)
total exchange computation time: 3.1291038990 s
-154.4225827303
Anderson extrapolation: theta=1.3851340565 (1.3851340565)
-931.35711226
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4410093226 (a.u.)
total exchange computation time: 3.1291389465 s
-154.4387889476
Anderson extrapolation: theta=0.0691039526 (0.0691039526)
-931.35731112
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4407858086 (a.u.)
total exchange computation time: 3.1274380684 s
-154.4403146787
Anderson extrapolation: theta=2.3578413346 (2.0000000000)
-931.35732367
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4403278430 (a.u.)
total exchange computation time: 3.1269640923 s
-154.4433094524
Anderson extrapolation: theta=0.4319501010 (0.4319501010)
-931.35734125
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4401503037 (a.u.)
total exchange computation time: 3.1269562244 s
-154.4443493974
Anderson extrapolation: theta=0.9319052943 (0.9319052943)
-931.35734680
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4400265816 (a.u.)
total exchange computation time: 3.1306009293 s
-154.4449375888
Anderson extrapolation: theta=0.5259198628 (0.5259198628)
-931.35735091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4400034419 (a.u.)
total exchange computation time: 3.1296920776 s
-154.4448904878
Anderson extrapolation: theta=0.7011224944 (0.7011224944)
-931.35735273
72.907075 201.560193 -294.210196
547.953111 1079.252991 -416.044032
620.860187 1280.813184 -710.254228
1590.726517
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0632994186
ExchangeOperator: pair fraction: ispin=0: 0.1598918334
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4400193254 (a.u.)
total exchange computation time: 3.1311891079 s
679.91370671
-1086.06587266
89.71984124
-387.49775903
-174.98725072
79.54433575
551.60419304
0.00000000
-931.35735380
3.79152429 -31.46095831 -3.82048178
-0.00034990 0.00037312 -0.00007190
-0.00521824 0.01521063 -0.00795321
-11.13452117 2.26038011 -9.32191145
-0.00009641 -0.00010642 0.00004687
-0.02399624 -0.02749414 -0.01170564
-37.14186834 1.85389453 3.90926537
0.00014421 0.00004939 0.00021945
0.05580603 0.04907741 -0.00925229
-7.75020881 -3.58131716 3.08180687
0.00006269 -0.00012815 -0.00016782
0.01010490 -0.00489858 -0.01642997
2.19501970 -0.10859599 9.71557566
0.00026542 0.00013379 0.00004336
0.03677608 -0.03999577 -0.01942475
-31.23113939 1.41081893 3.51485818
-0.00009669 -0.00015241 0.00000053
0.02976191 -0.02776212 0.00280701
16.39477245 13.30105377 -17.72789300
-0.00000655 -0.00021888 0.00010429
0.04379944 0.05012807 0.01787978
-3.21674429 4.97769250 4.36584851
-0.00004509 -0.00006005 -0.00041906
-0.00217334 -0.02040004 0.03081722
4.84536695 17.36724772 -6.50356308
-0.00007790 -0.00009478 -0.00031209
-0.02446432 -0.00772444 0.01643813
8.27441230 7.12462181 -21.13258655
0.00007226 0.00054051 -0.00027262
-0.01916816 0.00082399 0.00727355
19.60165396 18.87619043 -5.36754248
0.00053007 -0.00012057 0.00003441
-0.00576953 -0.03843495 -0.02073391
2.05853393 14.71387560 -21.45978738
-0.00020003 -0.00012781 0.00013624
-0.01040027 0.00849999 -0.00806065
10.49034044 -5.53365170 0.13883953
0.00009370 -0.00004295 -0.00017413
-0.00957108 0.00061938 -0.00483673
-16.60138716 -5.52348755 4.90336729
0.00014617 -0.00010831 -0.00015980
0.04003621 0.00871819 0.01048783
-14.27166018 -1.52599117 20.72763358
0.00011754 -0.00002045 0.00003725
0.01348201 -0.03714111 0.03689612
0.98845645 3.65783747 -4.74358802
-0.00038164 0.00008322 -0.00013841
-0.02746265 -0.01567646 0.02078599
20.98287183 -9.63116957 -4.03665462
0.00000085 0.00016669 -0.00041888
0.01608153 0.00994690 -0.04738977
2.84387348 -10.82996605 6.80666657
-0.00017326 -0.00004963 -0.00016328
-0.07091440 0.03307039 -0.00447686
-1.74320313 -1.70406594 -19.54223952
-0.00019342 -0.00033088 0.00028536
0.00919700 0.05084375 0.03762482
-0.64078950 5.02596996 -11.27653905
0.00025252 0.00041659 -0.00011094
-0.01960850 -0.00517769 0.00331019
-4.89620112 15.49168670 13.47730543
0.00005324 -0.00002219 0.00012782
-0.02960792 -0.03466356 -0.03139223
-4.96007207 3.03818501 -7.75908353
0.00000130 0.00008441 -0.00053825
0.00871248 0.02250494 0.01011403
-8.66565374 0.15059661 -4.52789028
0.00012064 -0.00016720 0.00020362
-0.01958004 0.01981962 0.03443176
2.92247226 27.89309803 5.71915408
0.00004789 0.00002018 -0.00021571
0.01327407 -0.02457831 0.04272869
8.72848115 -9.66357145 -2.09018310
-0.00015582 0.00024556 -0.00009584
-0.02316215 -0.03784802 -0.00236691
-6.41168945 1.32335480 9.78370940
0.00031765 0.00028590 0.00036597
-0.03928126 0.03331649 0.01122866
19.73943963 9.63148608 6.15780258
-0.00016783 -0.00032499 -0.00039876
-0.00746989 0.00530698 -0.02606063
-3.41056991 0.67925916 -24.32039540
-0.00002800 -0.00012214 -0.00001030
0.08899411 -0.01542060 0.05519679
-13.60913532 8.43559296 9.49697761
-0.00009615 -0.00003774 -0.00002866
0.00007150 -0.01033031 0.00265120
-13.88951767 5.79826008 -3.93464015
0.00013292 -0.00010332 0.00000664
0.03207252 -0.04498399 -0.00181167
-3.80292945 -15.12537434 21.14293508
-0.00003819 0.00013349 0.00015511
-0.00179504 -0.01280220 0.00233139
-6.22450369 8.49517536 -6.67377489
-0.00031884 0.00022554 0.00046295
0.00889942 0.02050782 -0.01037231
-19.79643641 30.22683745 1.19119058
0.00005136 0.00018541 0.00023993
0.04198491 0.01705341 0.00712448
10.34950834 3.55825320 8.15100174
-0.00006609 0.00026721 0.00011411
0.01237411 0.05191017 0.02026795
7.47636321 16.50599272 -11.72796073
0.00001363 0.00005570 -0.00013128
-0.00175411 -0.01826520 0.01852280
14.01441171 4.60049331 -0.82164216
0.00019245 -0.00021353 0.00034000
0.02076549 -0.03919048 -0.00182921
-5.57922742 11.88712397 -1.30117980
-0.00032441 -0.00020543 0.00010148
0.00967758 0.02437473 -0.03752124
8.22636311 11.71667174 4.97224394
0.00024738 -0.00076775 -0.00008936
-0.00040251 0.04835079 -0.00707487
19.84551866 -11.17691705 -10.41013452
0.00010472 -0.00000071 -0.00034376
-0.00385667 -0.05078733 0.01298324
19.13867267 -5.92091348 -0.25815339
0.00031344 0.00016815 0.00021671
-0.00347970 0.02503854 -0.02275968
15.99984197 7.68614906 9.59554434
-0.00016954 -0.00018827 0.00000230
0.00574366 -0.02407588 -0.00710760
3.88390004 -14.52632450 16.60640943
-0.00016341 -0.00019335 0.00001918
0.02025495 -0.00337658 -0.02565477
-3.49955294 -2.47063752 -13.78286713
-0.00046940 -0.00016626 -0.00036178
-0.00523971 0.00137123 -0.00731507
16.15065680 -6.70540041 -13.34052762
0.00029782 0.00052385 0.00035020
-0.01376250 0.00640513 -0.01632858
10.61364399 -4.33599892 6.37610343
-0.00007525 -0.00019524 0.00043272
0.03825144 -0.01587740 -0.01449245
-19.53198672 0.82248170 24.98803226
0.00003279 -0.00018838 0.00025323
-0.01471217 0.01314822 0.00374632
24.07115072 -0.77188069 -7.52562330
-0.00000148 0.00004856 0.00030332
-0.00520405 -0.01129587 0.01819957
11.48108886 -9.79458530 -11.24435185
0.00007997 0.00016973 0.00007741
0.00705754 -0.00347933 0.00494087
-9.70047192 -9.92481442 16.55277984
-0.00011334 -0.00005270 0.00039469
-0.02937769 -0.01546275 -0.02767497
7.36199898 0.30186606 -28.56147072
-0.00001800 -0.00034986 -0.00008789
-0.01803687 0.00041903 0.00976061
12.59127416 17.75873521 12.22667643
0.00001956 0.00009227 -0.00000012
-0.00720346 -0.03369598 0.00777402
25.91784744 7.36061352 -11.10114832
-0.00008811 0.00014862 -0.00021698
-0.00109972 0.00769719 0.01386223
3.65614661 -29.89181274 -4.85848657
-0.00042134 0.00022759 -0.00041896
0.01362395 -0.01189000 0.01152487
3.43532840 -30.82617674 -2.07830114
-0.00024724 0.00011909 0.00066030
-0.00070089 0.00142689 -0.00762831
-9.87571000 3.33842774 -8.73786131
0.00096083 -0.00010912 -0.00013665
0.02537156 0.02006640 0.01676338
-11.41354952 2.68722980 -11.10105756
-0.00045059 -0.00019515 -0.00068565
-0.00705586 0.00306140 -0.00582399
-37.13103960 3.58689179 3.13799294
0.00081160 0.00007149 -0.00051274
0.00040366 -0.02308148 0.01137368
-38.78418978 1.31311826 3.53125969
-0.00060238 0.00094744 0.00044542
-0.03872793 -0.02121295 -0.00496357
-8.78609637 -3.79331842 1.56648520
-0.00076306 -0.00013625 0.00022787
-0.00938112 -0.00647940 0.00533410
-6.34306219 -4.68115515 2.64736671
0.00023916 0.00007526 -0.00017584
-0.00065830 0.00195871 0.00773887
3.56997524 -1.29423664 9.04822431
-0.00033210 0.00001726 0.00011492
-0.03307536 0.02839669 0.01551212
2.12034899 1.18374156 8.45031134
-0.00087532 -0.00008363 -0.00097031
-0.00287691 0.01033930 -0.00391442
-30.87560970 -0.48596956 3.70826414
0.00017132 0.00031374 0.00045700
-0.00497396 0.03656533 -0.00564444
-32.95417705 1.58390204 3.06152929
-0.00054759 0.00038387 0.00035243
-0.02224910 -0.00521108 0.00076456
15.46910095 11.96502925 -18.31371337
0.00137385 -0.00006726 -0.00078090
-0.05101506 -0.04442826 -0.02314602
17.86509327 12.33858407 -17.22304601
-0.00012921 -0.00027875 -0.00037046
0.01187214 -0.00092597 0.00380484
-2.98451883 6.55722925 5.27839644
0.00003101 -0.00075943 -0.00060036
0.00735798 0.00219631 -0.00627315
-3.76108353 5.47446295 2.76020572
-0.00062784 0.00059291 -0.00060951
-0.00214974 0.01182698 -0.03106558
5.67297576 16.75114416 -7.93819079
0.00030328 0.00059167 0.00062289
0.01293051 -0.01855519 -0.04053684
5.93151400 18.73957963 -6.14507740
0.00000644 0.00079149 0.00125113
0.01388203 0.02492715 0.01614834
8.57976089 6.54038623 -22.86613795
0.00088562 -0.00043522 0.00041833
0.00958852 -0.00007834 0.00544559
9.69298474 7.47270141 -19.99886587
0.00023710 -0.00014782 0.00091288
0.00344238 -0.00012961 -0.01656348
19.41624989 19.95823863 -3.96232392
0.00033536 0.00052015 0.00066571
0.00133449 0.03238855 0.01100489
20.68642687 19.59780225 -6.63930022
0.00098902 -0.00006038 -0.00077489
0.00362802 0.01114834 0.00827601
2.00101638 12.99927074 -20.80552528
0.00057713 -0.00035203 -0.00016608
-0.01303713 0.01085125 0.00278916
0.31483704 15.40527437 -21.88042787
0.00047332 0.00049605 -0.00038960
0.01996656 -0.02254501 0.00889262
9.79702143 -7.14644930 -0.52449435
-0.00027720 -0.00093605 0.00002274
0.00612023 0.01860779 0.00333313
9.27648628 -4.21625451 -0.42613377
-0.00057903 0.00033519 0.00004586
0.01046164 -0.00959927 0.00315871
-16.98682581 -6.37330827 6.44574985
0.00037602 -0.00052436 -0.00046067
-0.01115283 -0.00300298 0.00708912
-17.94480445 -5.51789842 3.75546235
-0.00013274 0.00101249 0.00000578
-0.02890531 -0.00820560 -0.01653004
-14.34541490 -0.88815739 19.10784037
0.00050679 -0.00063951 -0.00055587
-0.00735879 0.02710438 -0.04640545
-14.94536902 -0.40798797 21.94178486
-0.00036151 0.00049958 -0.00006855
-0.00977524 0.01645864 0.01036519
-0.25728902 2.98439706 -3.50546259
0.00054493 -0.00060813 -0.00055279
0.01433080 0.01866140 -0.00618947
0.84675629 2.25904254 -5.90376184
-0.00040821 0.00002947 0.00034050
0.01185532 -0.00565163 -0.01131497
20.31663767 -9.05644719 -5.69706417
-0.00078982 -0.00015502 0.00030121
0.00142069 -0.00946549 0.02122923
22.84686465 -9.62915945 -4.48287084
-0.00092156 0.00058436 0.00088990
-0.02682261 -0.00575999 0.01953352
4.43003809 -11.26378635 6.35804603
0.00034489 -0.00005380 0.00119599
0.07340867 -0.01765623 -0.02433856
2.56114209 -11.63739830 8.35418655
-0.00002423 0.00045668 -0.00042265
-0.00243274 -0.01173078 0.03161087
-2.60758940 -3.02406589 -20.26395867
0.00005241 0.00065486 -0.00056527
-0.02356652 -0.05154412 -0.02681644
-2.58157537 -1.41677163 -17.90227188
-0.00032205 0.00030864 0.00037123
0.00906569 -0.00119803 -0.01352198
1.06407637 5.53030669 -11.10400361
-0.00060590 0.00026180 -0.00090689
0.02920193 0.01373780 -0.01224441
-0.78484632 4.20435553 -9.67409087
-0.00014832 -0.00031296 0.00091723
-0.02003833 -0.00806975 0.00878223
-4.03024918 16.27368338 14.74832246
-0.00058900 0.00086889 -0.00010852
0.03287195 0.03407898 0.04696769
-6.64256147 15.78768578 13.91007608
0.00009523 0.00074140 -0.00039222
-0.00280745 0.00079027 0.00134896
-5.64096522 2.01372632 -6.45023056
0.00058904 0.00036884 0.00012311
-0.00590627 -0.01204280 0.00880199
-5.68408263 2.43185797 -9.30304117
0.00014503 -0.00073175 -0.00040857
-0.00142293 -0.00878667 -0.01774992
-9.56234760 -1.40411051 -4.11424396
0.00028885 -0.00129576 -0.00073184
0.00598717 0.00730184 -0.00305253
-9.40935384 1.42630445 -3.29822145
-0.00011217 0.00004789 0.00084554
0.01639397 -0.02394500 -0.02595376
2.42665842 29.10333280 4.53848771
0.00055999 -0.00094701 0.00011716
-0.01370713 0.02443268 -0.02719775
2.75486356 28.66756861 7.39123558
-0.00070797 -0.00104945 0.00063355
-0.00029328 -0.00975326 -0.01572381
7.30897611 -10.25734090 -3.18619523
0.00071420 0.00007718 0.00077238
0.01251501 0.02125718 0.01671621
8.72850967 -10.98921522 -0.78446410
0.00014567 0.00027420 -0.00049893
0.00449444 0.00720599 -0.00629862
-5.33605792 -0.09429130 9.52604183
-0.00046932 -0.00110300 0.00061562
0.01140174 -0.02963485 -0.00859126
-8.18272741 0.84236583 10.08459162
0.00040321 -0.00028348 -0.00023136
0.02262667 -0.00399903 -0.00610755
19.39733099 9.39619167 7.89130215
-0.00019946 0.00046693 -0.00037279
-0.00450746 0.00106368 0.02685129
21.39164828 10.33180133 5.97291807
0.00133388 0.00058585 0.00008042
0.01687940 0.00225441 0.00206873
-2.79631158 0.29601027 -22.46440113
-0.00010041 0.00055050 0.00019893
-0.01747256 0.01104893 -0.04957907
-5.12391909 0.75154654 -24.19931244
-0.00027867 -0.00054847 -0.00052003
-0.06734609 0.00268426 0.00062449
-12.64255406 9.43735393 10.67993751
-0.00043004 0.00037411 -0.00001767
0.00255064 0.00250066 0.00027139
-13.42853839 9.45432470 7.99775699
0.00025938 0.00058371 -0.00010064
-0.00480821 0.00793466 -0.01260995
-13.74793954 4.09368708 -4.81140738
0.00003794 0.00046397 -0.00003060
-0.00948090 0.04118801 0.01577600
-14.97201083 6.90538619 -4.85876056
0.00063674 -0.00024745 -0.00029723
-0.01864379 -0.00436657 -0.01031784
-5.33858340 -16.20537869 21.35011443
-0.00002442 0.00008004 0.00027873
0.01240037 0.01192799 -0.01339446
-3.05986708 -15.53696761 19.51431179
0.00048697 0.00034381 0.00000119
-0.00682807 0.00077597 0.00836035
-6.47546992 6.74436778 -6.45306233
-0.00030990 -0.00014993 -0.00055220
0.00163763 -0.02380347 0.00450352
-7.13635866 9.38615204 -5.36706864
-0.00063372 -0.00008320 -0.00000158
-0.00599391 0.00132675 -0.00389171
-20.55752685 31.06213420 -0.20684004
-0.00050275 0.00022221 0.00025378
-0.01019870 0.00127852 -0.00945602
-17.98927477 30.83169062 1.16831372
-0.00023693 -0.00021813 -0.00076466
-0.02893626 -0.01860928 0.00008029
9.29239935 2.93546721 6.83855663
-0.00098074 0.00023354 -0.00094239
-0.01720346 -0.00898357 -0.01494171
9.93230423 5.44332347 8.41827417
0.00009673 -0.00043019 -0.00018628
0.00045733 -0.03846477 -0.00542267
8.55747469 17.68870831 -12.57133603
-0.00050714 0.00048448 0.00096048
0.00620167 0.00548954 -0.01019394
8.73212874 15.24618673 -11.17725458
-0.00032289 -0.00019665 -0.00009334
-0.01183192 0.00840262 -0.00495324
12.87819580 5.61358956 0.05004096
-0.00050137 -0.00078686 0.00083520
-0.03053563 0.04190023 0.01028490
14.26843662 3.45972027 0.61628222
-0.00013602 0.00069220 0.00013873
0.00506477 -0.01292669 -0.00356629
-4.35516219 11.55926988 -2.74269982
-0.00035480 0.00091602 -0.00143797
-0.01785141 -0.00270534 0.03892141
-5.57477517 10.48066708 -0.17712706
-0.00015700 -0.00036140 -0.00008476
0.00691685 -0.01455015 -0.00214869
7.93198491 13.63479593 4.70988019
-0.00033865 -0.00004569 -0.00009000
0.00401096 -0.04623094 0.00787158
9.99280816 11.44785264 4.48465241
0.00072929 0.00003098 0.00007380
-0.00668684 -0.00273471 0.00122791
18.44481460 -11.62213947 -9.18999442
0.00036081 0.00091756 0.00053031
0.02642611 0.00889969 -0.01777879
20.66523862 -12.91123084 -10.69728765
-0.00026092 0.00059232 0.00001713
-0.01801736 0.03701696 0.01132865
18.87762967 -5.27810782 -2.01042715
-0.00048403 0.00089659 0.00019933
0.01124223 -0.00982167 0.02250643
18.15761806 -7.47362444 -0.32019674
-0.00012537 0.00044696 -0.00029630
-0.00584315 -0.01636379 0.00358416
15.30958062 9.30838145 9.37009700
-0.00046316 -0.00027028 -0.00027423
-0.01145724 0.02056196 0.00115554
16.46275812 7.47972162 11.33060225
0.00056740 0.00043106 0.00025142
-0.00079637 0.00287521 0.00837105
2.67485696 -15.85253796 17.08467707
-0.00002224 0.00035356 0.00122798
-0.00491548 0.01164978 0.00818071
3.67645639 -12.79991595 17.11169786
-0.00048186 -0.00100651 0.00026900
-0.01722337 0.00114280 0.00958132
-3.99629295 -4.24395590 -13.52211684
-0.00007554 -0.00083004 -0.00015805
-0.00706245 0.00276322 -0.00100370
-1.77400211 -2.31645361 -13.32913360
-0.00068811 -0.00003885 -0.00021421
0.01752319 0.00298368 0.00593945
16.10162914 -7.56556541 -14.99655209
-0.00010787 0.00066517 0.00045856
-0.00342996 0.00028184 -0.00415803
17.08497004 -7.75328917 -12.23633233
0.00010089 0.00038724 0.00014294
0.01367713 -0.01107738 0.01744419
9.68995533 -4.60269152 4.84140133
0.00017453 0.00027338 -0.00017586
-0.02041708 0.00375974 -0.00295875
12.29345767 -4.85246696 5.63569700
-0.00074444 0.00025491 -0.00004551
-0.02049548 0.01646149 0.02055749
-21.08308745 -0.11167048 24.57794335
0.00026862 0.00114482 -0.00010981
0.01011916 0.00498975 0.00756985
-20.02648615 2.41626738 25.82214620
-0.00063101 0.00096540 -0.00075914
-0.00150651 -0.01203619 -0.00846016
24.73466584 -2.50925728 -7.28572179
-0.00069071 -0.00015581 0.00029974
-0.00072017 0.01541203 -0.00303209
24.13553076 -0.38624234 -9.30100973
-0.00004122 -0.00056350 -0.00046274
0.00158825 -0.00054873 -0.01553329
12.60521145 -10.12763012 -9.84711139
-0.00051583 -0.00043814 -0.00058432
-0.00277080 0.00074110 0.01082558
12.40041528 -8.49505323 -12.12759035
0.00002075 -0.00030204 0.00057930
-0.00076984 0.00494552 -0.00937569
-9.36489705 -9.13923865 18.13203058
0.00000535 0.00005717 0.00005371
-0.00377658 0.00423857 0.01525852
-11.55393568 -10.33092913 16.51198001
0.00003699 0.00137616 0.00015820
0.04080658 0.01226002 0.01112055
8.53547558 0.70384357 -29.92580572
-0.00047115 -0.00126523 -0.00089110
-0.00073969 0.00883544 -0.00105732
5.66664842 1.02646698 -28.84484432
0.00032683 -0.00049238 -0.00057683
0.01824857 -0.00965486 -0.00412974
12.50644839 19.49231603 12.42986578
-0.00018408 -0.00017872 0.00016330
-0.00561810 0.04380496 0.00960876
14.03900571 17.51592007 11.19197615
-0.00108897 -0.00065742 -0.00041477
0.01347888 -0.00475955 -0.01730805
27.60901544 7.64979365 -11.74577558
0.00087679 0.00034431 0.00058249
0.01061087 -0.00008770 -0.00121325
26.04537818 7.61537126 -9.25503253
-0.00008373 -0.00087424 0.00024842
-0.00153529 -0.00088361 -0.00710535
-7.21966222 4.60173670 6.70169822
0.00028897 -0.00002919 -0.00001646
-0.00136268 -0.00754000 -0.00537355
-9.02033771 8.76132833 3.86647236
0.00023668 -0.00004777 0.00003665
-0.00200692 -0.00820207 -0.00221105
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07699554
0.28035827
373.56333285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4379123923 (a.u.)
total exchange computation time: 2.9624149799 s
-154.3817364467
-931.35946288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4366252591 (a.u.)
total exchange computation time: 2.9615728855 s
-154.3926514179
Anderson extrapolation: theta=1.3417459157 (1.3417459157)
-931.35975388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4347829160 (a.u.)
total exchange computation time: 2.9626870155 s
-154.4079603051
Anderson extrapolation: theta=0.0520460510 (0.0520460510)
-931.35992798
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4345976847 (a.u.)
total exchange computation time: 2.9606721401 s
-154.4093445981
Anderson extrapolation: theta=1.9502248879 (1.9502248879)
-931.35993494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4342117369 (a.u.)
total exchange computation time: 2.9602050781 s
-154.4121608206
Anderson extrapolation: theta=0.2354936455 (0.2354936455)
-931.35994277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4341157333 (a.u.)
total exchange computation time: 2.9609780312 s
-154.4127964031
Anderson extrapolation: theta=1.8876205063 (1.8876205063)
-931.35994450
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4339601050 (a.u.)
total exchange computation time: 2.9607031345 s
-154.4137442458
Anderson extrapolation: theta=0.2916548330 (0.2916548330)
-931.35994687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4339415446 (a.u.)
total exchange computation time: 2.9636559486 s
-154.4137718215
Anderson extrapolation: theta=1.3049069261 (1.3049069261)
-931.35994752
72.940670 201.594186 -294.242412
547.897017 1079.287105 -416.053387
620.837687 1280.881291 -710.295799
1590.791136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4339385640 (a.u.)
total exchange computation time: 2.9613277912 s
679.81705996
-1085.85020433
89.72388748
-387.64586240
-174.97089029
79.42481966
551.60419304
0.00000000
-931.35994815
3.78625568 -31.45530278 -3.82159100
-0.00035270 0.00038101 -0.00007520
-0.00567345 0.01544590 -0.00486143
-11.13605989 2.25867782 -9.32125354
-0.00010769 -0.00011918 0.00004039
-0.01986289 -0.02214557 -0.01351359
-37.13948987 1.85482467 3.91252151
0.00017196 0.00007459 0.00021422
0.05207391 0.04891445 -0.01109104
-7.74922945 -3.58325832 3.07922624
0.00006768 -0.00013057 -0.00017626
0.00927563 -0.00451851 -0.01639849
2.19914292 -0.10674341 9.71615109
0.00028372 0.00011453 0.00003276
0.03436961 -0.03491513 -0.02176585
-31.23247487 1.40842571 3.51487695
-0.00008235 -0.00016585 0.00000177
0.02597029 -0.02452129 0.00200343
16.39484318 13.29796396 -17.72625970
0.00001615 -0.00019228 0.00011387
0.04447323 0.05330804 0.01938420
-3.21742897 4.97671303 4.35968147
-0.00004680 -0.00007122 -0.00040526
-0.00450673 -0.02301581 0.02285095
4.84410414 17.36579627 -6.50818100
-0.00008992 -0.00009626 -0.00030160
-0.02231142 0.00195374 0.02433412
8.27542233 7.13273258 -21.13664778
0.00006336 0.00054122 -0.00026786
-0.01546560 0.00194188 0.01125128
19.60958280 18.87423366 -5.36710628
0.00052778 -0.00013853 0.00002423
-0.00315338 -0.03139751 -0.01885137
2.05549340 14.71199122 -21.45777489
-0.00020462 -0.00012354 0.00013214
-0.00744718 0.00811311 -0.00787475
10.49170895 -5.53429354 0.13620889
0.00008783 -0.00004302 -0.00017719
-0.01325310 -0.00091378 -0.00707269
-16.59904015 -5.52507853 4.90101076
0.00016653 -0.00010380 -0.00015491
0.03913053 0.00882557 0.00852390
-14.26984500 -1.52644122 20.72833468
0.00012400 -0.00003849 0.00005601
0.01163232 -0.03300081 0.03603201
0.98262599 3.65902529 -4.74558399
-0.00039518 0.00007567 -0.00012815
-0.02519287 -0.01367341 0.01911083
20.98294661 -9.62863079 -4.04312069
0.00000738 0.00017150 -0.00044184
0.00932983 0.00874846 -0.04188397
2.84100107 -10.83058290 6.80420017
-0.00020852 -0.00003255 -0.00016677
-0.06622494 0.03332698 -0.00911684
-1.74606896 -1.70883307 -19.53781391
-0.00018808 -0.00030375 0.00030542
0.01157461 0.05465980 0.04037015
-0.63707731 5.03219886 -11.27819042
0.00024011 0.00041211 -0.00010720
-0.02866547 -0.01225217 0.01122629
-4.89551669 15.49122012 13.47910168
0.00003820 -0.00003999 0.00011197
-0.02888792 -0.03453706 -0.03025926
-4.96001902 3.03953802 -7.76711830
0.00000561 0.00009581 -0.00053300
0.00804777 0.02181290 0.01030325
-8.66391965 0.14816499 -4.52470311
0.00010996 -0.00015754 0.00022183
-0.02193975 0.01775958 0.03638312
2.92324188 27.89330595 5.71608326
0.00005534 0.00000584 -0.00019161
0.01567427 -0.03119243 0.05096798
8.72605456 -9.66003405 -2.09162989
-0.00016642 0.00022688 -0.00009631
-0.01808341 -0.03477887 0.00054463
-6.40707616 1.32777185 9.78924230
0.00029835 0.00030150 0.00037146
-0.03576986 0.02735449 0.01009217
19.73689342 9.62663164 6.15172065
-0.00016837 -0.00032090 -0.00041249
0.00534736 0.01060301 -0.02731838
-3.41064656 0.67736764 -24.32033696
0.00001675 -0.00012989 0.00001807
0.08502142 -0.01471721 0.05512375
-13.61057724 8.43498700 9.49655795
-0.00009592 -0.00004228 -0.00002789
0.00080861 -0.00733364 0.00033350
-13.88740018 5.79653682 -3.93454749
0.00014944 -0.00012600 0.00000613
0.03216530 -0.04321244 -0.00017305
-3.80350918 -15.12342143 21.14527075
-0.00003884 0.00012684 0.00015595
-0.00073911 -0.01305329 0.00093318
-6.22925196 8.49863755 -6.66687058
-0.00031391 0.00023514 0.00045717
0.01025339 0.01681251 -0.01210378
-19.79550403 30.22968440 1.19481704
0.00007204 0.00019423 0.00024296
0.03841737 0.01722693 0.00466857
10.34856469 3.56246165 8.15279157
-0.00006127 0.00029189 0.00012219
0.00639619 0.04405566 0.01113712
7.47656083 16.50675773 -11.72985856
0.00001192 0.00004570 -0.00012132
-0.00488407 -0.02060775 0.02024662
14.01737853 4.59713912 -0.81654921
0.00020202 -0.00023209 0.00033881
0.01645456 -0.03295949 -0.00278943
-5.58405622 11.88413657 -1.29980239
-0.00031893 -0.00019272 0.00008131
0.01164093 0.02505376 -0.04089929
8.23007226 11.70534205 4.97087630
0.00024747 -0.00074216 -0.00009316
0.00073717 0.05113100 -0.00772029
19.84707464 -11.17712358 -10.41524084
0.00010217 -0.00002572 -0.00033674
-0.00608604 -0.04646308 0.01431550
19.14336081 -5.91829465 -0.25499046
0.00031137 0.00018110 0.00020445
-0.00456424 0.02533899 -0.02493049
15.99732107 7.68323212 9.59555148
-0.00016651 -0.00020044 -0.00000060
0.00602598 -0.02325652 -0.00417615
3.88152705 -14.52923772 16.60659813
-0.00015296 -0.00019621 0.00000575
0.02036186 -0.00776364 -0.02654584
-3.50661419 -2.47312620 -13.78832207
-0.00047253 -0.00016638 -0.00036545
-0.00692145 -0.00180947 -0.00695988
16.15507097 -6.69751793 -13.33533763
0.00029063 0.00052726 0.00034175
-0.01417708 0.00686762 -0.01652258
10.61266275 -4.33898873 6.38253840
-0.00005668 -0.00020324 0.00042474
0.03397725 -0.01523482 -0.01656611
-19.53155159 0.81970665 24.99184508
0.00002585 -0.00017975 0.00025595
-0.01229207 0.02042857 0.00684727
24.07110847 -0.77119590 -7.52100334
-0.00000418 0.00004304 0.00031130
-0.00530380 -0.01015641 0.01285698
11.48231559 -9.79205271 -11.24317165
0.00008211 0.00016739 0.00007937
0.00128416 -0.00563567 0.00269059
-9.70228538 -9.92566461 16.55859348
-0.00012780 -0.00006054 0.00038017
-0.02685546 -0.01501450 -0.02881669
7.36165934 0.29661983 -28.56275138
-0.00002665 -0.00034981 -0.00008312
-0.01556882 -0.00023992 0.00877728
12.59153972 17.75998925 12.22670467
0.00001490 0.00007465 0.00000459
-0.01092028 -0.03482911 0.01052102
25.91652161 7.36287254 -11.10434953
-0.00008739 0.00015280 -0.00020972
0.00389714 0.00855821 0.01435550
3.65024404 -29.88876326 -4.86441774
-0.00036592 0.00017878 -0.00037028
0.01350165 -0.01199958 0.01230242
3.43159839 -30.82434669 -2.06863035
-0.00024890 0.00012435 0.00062177
-0.00011555 0.00114878 -0.01123481
-9.86052014 3.33740586 -8.73939732
0.00105368 -0.00003662 -0.00007420
0.02008023 0.01542271 0.01380208
-11.42052457 2.68439634 -11.11152076
-0.00047699 -0.00018408 -0.00070019
-0.00586979 0.00235836 -0.00129471
-37.11885323 3.58725690 3.13065035
0.00081286 -0.00002503 -0.00046474
0.00021135 -0.02416784 0.01212537
-38.79441220 1.32667982 3.53778894
-0.00075271 0.00086342 0.00042735
-0.03486138 -0.01991350 -0.00388567
-8.79782967 -3.79556076 1.57006668
-0.00079900 -0.00016332 0.00025086
-0.00821216 -0.00676887 0.00591818
-6.33949502 -4.67996628 2.64496622
0.00023540 0.00008329 -0.00014514
-0.00117853 0.00197309 0.00728874
3.56398020 -1.29310750 9.05042345
-0.00046321 0.00013065 0.00017613
-0.03110571 0.02710599 0.01445090
2.10713103 1.18280394 8.43563675
-0.00088619 -0.00004920 -0.00097892
-0.00244311 0.00651645 -0.00030087
-30.87319225 -0.48014296 3.71494614
0.00015033 0.00045854 0.00043345
-0.00530270 0.03431381 -0.00588178
-32.96307263 1.58950043 3.06683920
-0.00063035 0.00036037 0.00035776
-0.01826482 -0.00629439 0.00184388
15.48814551 11.96265888 -18.32613619
0.00116031 -0.00025418 -0.00087981
-0.05351689 -0.04706823 -0.02526793
17.86351888 12.33437442 -17.22848638
-0.00007706 -0.00028275 -0.00035279
0.01365871 -0.00103091 0.00484814
-2.98382819 6.54590517 5.26919878
0.00006263 -0.00074167 -0.00062015
0.00812180 0.00649662 -0.00341189
-3.77056699 5.48371896 2.75011116
-0.00063307 0.00063779 -0.00072588
-0.00040873 0.01014564 -0.02589801
5.67792122 16.75945058 -7.93008961
0.00036355 0.00051191 0.00044636
0.01657106 -0.02048483 -0.04587718
5.93203599 18.75221590 -6.12581569
0.00005112 0.00087767 0.00131186
0.00798683 0.01725552 0.01358260
8.59333901 6.53385556 -22.85969611
0.00092455 -0.00043592 0.00043824
0.00947003 -0.00026721 0.00430027
9.69664668 7.47048012 -19.98568024
0.00024396 -0.00014970 0.00083950
-0.00008085 -0.00079167 -0.01935682
19.42132122 19.96703330 -3.95200107
0.00034301 0.00064313 0.00069705
0.00240737 0.02781540 0.00433671
20.70137328 19.59723814 -6.65066995
0.00099597 -0.00001927 -0.00073111
-0.00022375 0.00897705 0.01315359
2.00927381 12.99432284 -20.80793108
0.00052199 -0.00030627 -0.00015497
-0.01395579 0.01154792 0.00265063
0.32254873 15.41202425 -21.88599935
0.00055081 0.00040296 -0.00035295
0.01796197 -0.02302200 0.00904484
9.79305092 -7.15991984 -0.52405109
-0.00024913 -0.00085071 0.00003921
0.00762160 0.02316714 0.00472673
9.26812134 -4.21152082 -0.42534904
-0.00053169 0.00029051 0.00006043
0.01271358 -0.01227125 0.00397398
-16.98152727 -6.38126564 6.43905709
0.00032953 -0.00053698 -0.00043041
-0.01160304 -0.00317548 0.00771938
-17.94768127 -5.50296250 3.75504249
-0.00024817 0.00097894 -0.00005898
-0.02760118 -0.00821571 -0.01516817
-14.33803853 -0.89691955 19.09808036
0.00047712 -0.00053165 -0.00073715
-0.00716411 0.02569478 -0.04233165
-14.95109122 -0.39998989 21.94107425
-0.00039826 0.00056160 -0.00003282
-0.00821564 0.01390085 0.00712470
-0.24867592 2.97584689 -3.51394411
0.00059696 -0.00053348 -0.00057048
0.01113988 0.01788440 -0.00247196
0.84099649 2.25931145 -5.89900108
-0.00035878 0.00000401 0.00028997
0.01234004 -0.00681157 -0.01342029
20.30483388 -9.05906254 -5.69189545
-0.00078368 -0.00019145 0.00038196
0.00158603 -0.00836943 0.01829608
22.83221932 -9.62057059 -4.46892375
-0.00101802 0.00056124 0.00096410
-0.02039492 -0.00555637 0.01678501
4.43746098 -11.26513433 6.37524000
0.00063837 -0.00012346 0.00109815
0.07025084 -0.01644242 -0.02355213
2.56070406 -11.63090759 8.34881548
-0.00003721 0.00040547 -0.00028555
-0.00392021 -0.01333741 0.03550174
-2.60752539 -3.01582252 -20.27325951
-0.00004888 0.00043893 -0.00067706
-0.02601580 -0.05415483 -0.02790236
-2.58612834 -1.41217876 -17.89711779
-0.00028471 0.00030137 0.00031267
0.00921141 -0.00236020 -0.01514359
1.05588268 5.53465461 -11.11798216
-0.00047238 0.00032128 -0.00095351
0.03615844 0.01538166 -0.01057670
-0.78768513 4.19941383 -9.66006326
-0.00022624 -0.00033522 0.00093391
-0.01810456 -0.00282639 -0.00062065
-4.03807687 16.28776097 14.74813395
-0.00045447 0.00100837 0.00008232
0.03298342 0.03419658 0.04644825
-6.64121898 15.79883093 13.90423414
0.00008256 0.00074415 -0.00038730
-0.00339878 0.00055787 0.00106007
-5.63231064 2.01888990 -6.44811415
0.00056572 0.00032095 0.00015702
-0.00550792 -0.01140199 0.00779446
-5.68195081 2.42061241 -9.30971365
0.00013974 -0.00076714 -0.00047914
-0.00116433 -0.00853601 -0.01679457
-9.55783143 -1.42332323 -4.12531510
0.00031714 -0.00125629 -0.00074473
0.00786318 0.01201990 -0.00325819
-9.41053400 1.42628908 -3.28633362
-0.00004381 -0.00005542 0.00073588
0.01706634 -0.02662787 -0.02772861
2.43463826 29.08987628 4.53941174
0.00049858 -0.00083312 -0.00000492
-0.01635486 0.03131856 -0.03256334
2.74423508 28.65152799 7.40025695
-0.00070859 -0.00108957 0.00056344
-0.00001230 -0.00988570 -0.01859248
7.32007255 -10.25553179 -3.17409727
0.00075387 0.00016050 0.00083077
0.00690470 0.01952957 0.01186655
8.73083249 -10.98488146 -0.79214108
0.00016498 0.00030052 -0.00052059
0.00495652 0.00568129 -0.00430421
-5.34274831 -0.11174447 9.53501291
-0.00042694 -0.00121441 0.00058122
0.00934389 -0.02489806 -0.00824696
-8.17598588 0.83799112 10.08093405
0.00049309 -0.00029779 -0.00025545
0.02136931 -0.00300477 -0.00568586
19.39420091 9.40322828 7.88653312
-0.00021840 0.00047108 -0.00026276
-0.00476085 0.00096615 0.02701060
21.41217377 10.34065819 5.97418772
0.00137773 0.00058443 0.00009090
0.00458219 -0.00294958 0.00306006
-2.79835308 0.30460638 -22.46293640
-0.00017204 0.00059478 -0.00000313
-0.01759167 0.01062529 -0.04933299
-5.13016285 0.74340180 -24.20709371
-0.00054596 -0.00053843 -0.00051813
-0.06349464 0.00222816 0.00030637
-12.64892648 9.44304224 10.67968080
-0.00042014 0.00038310 -0.00001641
0.00229450 0.00189814 0.00034324
-13.42479497 9.46332356 7.99586101
0.00023843 0.00061167 -0.00014725
-0.00544806 0.00574839 -0.01020596
-13.74766090 4.10190881 -4.81138297
0.00000050 0.00062600 0.00003122
-0.00884628 0.03812304 0.01448819
-14.96303106 6.90154061 -4.86353525
0.00055919 -0.00026253 -0.00034025
-0.01931512 -0.00301564 -0.01073995
-5.33856977 -16.20381253 21.35388493
0.00002650 0.00012863 0.00022299
0.01252782 0.01185337 -0.01389248
-3.05277173 -15.53178669 19.51458576
0.00045658 0.00034740 0.00003912
-0.00805130 0.00098084 0.01020836
-6.48006825 6.74138949 -6.46120727
-0.00030289 -0.00024141 -0.00053405
0.00179213 -0.02097986 0.00437744
-7.14604816 9.38494466 -5.36721163
-0.00066101 -0.00007628 -0.00001361
-0.00736346 0.00206008 -0.00199451
-20.56538060 31.06550647 -0.20332305
-0.00054272 0.00022506 0.00021902
-0.00936727 0.00011961 -0.00756235
-17.99371545 30.82784843 1.15684628
-0.00034982 -0.00029223 -0.00076346
-0.02632311 -0.01766253 0.00050616
9.27716113 2.93869507 6.82396288
-0.00103788 0.00020384 -0.00098682
-0.01076750 -0.00555481 -0.00680773
9.93376921 5.43569194 8.41531379
0.00009744 -0.00057942 -0.00020676
-0.00010994 -0.03458433 -0.00460305
8.55005756 17.69614367 -12.55724117
-0.00047661 0.00051144 0.00091556
0.00874736 0.00771191 -0.01179667
8.72692276 15.24349441 -11.17880642
-0.00037012 -0.00016208 -0.00011387
-0.01128801 0.00852180 -0.00509815
12.86973960 5.60307057 0.06288410
-0.00062083 -0.00061968 0.00087143
-0.02794445 0.03993522 0.00745203
14.26655158 3.46970714 0.61825395
-0.00011176 0.00063086 0.00013171
0.00680638 -0.01709915 0.00012856
-4.36103119 11.57292735 -2.76307676
-0.00043279 0.00090405 -0.00127004
-0.02032507 -0.00315579 0.04328510
-5.57691816 10.47480017 -0.17846434
-0.00012740 -0.00042091 -0.00009543
0.00756934 -0.01457677 -0.00307186
7.92702806 13.63269391 4.70877145
-0.00032087 -0.00024052 -0.00005728
0.00469437 -0.04913776 0.00814280
10.00354258 11.44823357 4.48579702
0.00069821 0.00002012 0.00007979
-0.00852582 -0.00257987 0.00170269
18.45103653 -11.60810340 -9.18258455
0.00046954 0.00095322 0.00045600
0.02679802 0.00855614 -0.01859853
20.66077275 -12.90121174 -10.69668350
-0.00033098 0.00073582 0.00006212
-0.01627724 0.03322899 0.01069447
18.87071366 -5.26495998 -2.00674747
-0.00043684 0.00085506 0.00029461
0.01185763 -0.01050460 0.02413307
18.15555839 -7.46742154 -0.32453141
-0.00014846 0.00038035 -0.00028088
-0.00545961 -0.01623866 0.00396649
15.30228220 9.30495737 9.36601896
-0.00050893 -0.00018842 -0.00026930
-0.01094960 0.01950968 0.00125930
16.47124471 7.48627567 11.33463011
0.00056248 0.00044351 0.00027948
-0.00161363 0.00321580 0.00536395
2.67437270 -15.84687750 17.10334747
-0.00004212 0.00039909 0.00126019
-0.00481522 0.01063682 0.00758544
3.66870064 -12.81497853 17.11602652
-0.00055209 -0.00099066 0.00031064
-0.01715472 0.00661603 0.01079852
-3.99764254 -4.25632178 -13.52451836
-0.00010366 -0.00081224 -0.00016326
-0.00670190 0.00595013 -0.00154769
-1.78378687 -2.31694500 -13.33216473
-0.00061428 -0.00002593 -0.00018939
0.01861942 0.00334542 0.00620767
16.09990594 -7.55557917 -14.98980117
-0.00012179 0.00066524 0.00044027
-0.00338166 -0.00025077 -0.00479371
17.08690245 -7.74782007 -12.23365375
0.00015761 0.00034066 0.00021524
0.01408890 -0.01172290 0.01794992
9.69194770 -4.59847555 4.83867271
0.00009253 0.00028974 -0.00018288
-0.01972314 0.00424828 -0.00047646
12.28166305 -4.84813880 5.63564426
-0.00082028 0.00031995 0.00003724
-0.01663125 0.01537247 0.01994816
-21.07874806 -0.09434535 24.57652816
0.00030089 0.00115771 -0.00008210
0.00567762 0.00132432 0.00599459
-20.03599753 2.43037961 25.81049989
-0.00063322 0.00090902 -0.00079657
0.00042662 -0.01556308 -0.00986305
24.72428305 -2.51112221 -7.28131855
-0.00069261 -0.00009392 0.00028790
-0.00020784 0.01488781 -0.00276517
24.13496116 -0.39471166 -9.30842681
-0.00003531 -0.00056679 -0.00051655
0.00130313 -0.00106309 -0.01080937
12.59738910 -10.13417944 -9.85554449
-0.00051984 -0.00043764 -0.00053082
0.00080665 -0.00049676 0.01536559
12.40070300 -8.49943227 -12.11918817
0.00002184 -0.00027508 0.00053618
0.00130297 0.00825062 -0.01172940
-9.36493254 -9.13825122 18.13330374
-0.00000889 0.00007611 0.00011886
-0.00319447 0.00503508 0.01663701
-11.55213039 -10.30991100 16.51469380
0.00019745 0.00142387 0.00020312
0.03774212 0.01109175 0.01086791
8.52838572 0.68513582 -29.93920457
-0.00047428 -0.00122946 -0.00089305
-0.00079234 0.00867360 0.00010340
5.67211008 1.01878548 -28.85362330
0.00039658 -0.00053033 -0.00059352
0.01589242 -0.00892281 -0.00404260
12.50351504 19.49097757 12.43260977
-0.00020605 0.00000276 0.00020210
-0.00513659 0.04503071 0.00938142
14.02308413 17.50591290 11.18522424
-0.00102711 -0.00067662 -0.00049074
0.01680500 -0.00464022 -0.01988027
27.62249243 7.65495557 -11.73707534
0.00091122 0.00034259 0.00057945
0.00624258 -0.00075509 -0.00027457
26.04407515 7.60223065 -9.25152403
-0.00009132 -0.00087806 0.00021558
-0.00217697 -0.00098721 -0.00896725
-7.21533137 4.60127858 6.70143684
0.00028848 -0.00003189 -0.00001837
-0.00134853 -0.00755280 -0.00529701
-9.01679099 8.76059752 3.86701819
0.00023621 -0.00004971 0.00003613
-0.00205206 -0.00848362 -0.00225560
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07715144
0.28279671
376.81244106
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.4294691024 (a.u.)
total exchange computation time: 3.1256451607 s
-154.3439606350
-931.36405939
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.4282741596 (a.u.)
total exchange computation time: 3.1229410172 s
-154.3541775152
Anderson extrapolation: theta=1.3699555570 (1.3699555570)
-931.36435174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4265261577 (a.u.)
total exchange computation time: 3.1264750957 s
-154.3687685789
Anderson extrapolation: theta=0.0624837500 (0.0624837500)
-931.36453373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.4263362644 (a.u.)
total exchange computation time: 3.1212468147 s
-154.3701734681
Anderson extrapolation: theta=2.1957570984 (2.0000000000)
-931.36454296
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4259446690 (a.u.)
total exchange computation time: 3.1244800091 s
-154.3729931934
Anderson extrapolation: theta=0.3476775476 (0.3476775476)
-931.36455443
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4258220780 (a.u.)
total exchange computation time: 3.1271421909 s
-154.3738076757
Anderson extrapolation: theta=1.2377856854 (1.2377856854)
-931.36455734
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4257076334 (a.u.)
total exchange computation time: 3.1225180626 s
-154.3744882150
Anderson extrapolation: theta=0.4223932571 (0.4223932571)
-931.36455986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.4256966164 (a.u.)
total exchange computation time: 3.1231138706 s
-154.3744629165
Anderson extrapolation: theta=0.8957723822 (0.8957723822)
-931.36456070
72.970073 201.627905 -294.286081
547.839112 1079.322874 -416.063613
620.809185 1280.950779 -710.349695
1590.860029
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1617090319
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4257149846 (a.u.)
total exchange computation time: 3.1226251125 s
679.68210260
-1085.55435004
89.73042537
-387.84857547
-174.94844867
79.26203405
551.60419304
0.00000000
-931.36456120
3.78094329 -31.44952809 -3.82273773
-0.00035571 0.00038891 -0.00007690
-0.00602583 0.01527021 -0.00173699
-11.13775185 2.25680469 -9.32069989
-0.00011668 -0.00012911 0.00003309
-0.01508783 -0.01647505 -0.01487074
-37.13670967 1.85613217 3.91569208
0.00019745 0.00009946 0.00020805
0.04706862 0.04780264 -0.01292044
-7.74817853 -3.58523433 3.07651910
0.00007221 -0.00013278 -0.00018469
0.00834045 -0.00406539 -0.01640244
2.20353130 -0.10516019 9.71655860
0.00030057 0.00009805 0.00002101
0.03117303 -0.02915849 -0.02393284
-31.23360999 1.40584331 3.51491117
-0.00007015 -0.00017743 0.00000253
0.02149160 -0.02049271 0.00095202
16.39525702 13.29528541 -17.72447687
0.00003877 -0.00016476 0.00012392
0.04347388 0.05371070 0.01969653
-3.21814842 4.97555599 4.35369071
-0.00004981 -0.00008367 -0.00039574
-0.00717219 -0.02540003 0.01416631
4.84266921 17.36435989 -6.51261119
-0.00010065 -0.00009294 -0.00028740
-0.01938152 0.01097821 0.03089501
8.27631305 7.14085833 -21.14062221
0.00005629 0.00054246 -0.00026113
-0.01203550 0.00289997 0.01489836
19.61748731 18.87203466 -5.36681552
0.00052677 -0.00015287 0.00001514
-0.00076746 -0.02439094 -0.01649019
2.05239541 14.71016943 -21.45582314
-0.00020759 -0.00011949 0.00012817
-0.00412341 0.00763913 -0.00758551
10.49297522 -5.53494244 0.13352369
0.00008021 -0.00004383 -0.00018130
-0.01637625 -0.00221371 -0.00887439
-16.59639126 -5.52660142 4.89871999
0.00018615 -0.00009925 -0.00015117
0.03716594 0.00886184 0.00600867
-14.26794009 -1.52714587 20.72931375
0.00012946 -0.00005417 0.00007391
0.00958327 -0.02796930 0.03359861
0.97660117 3.66010764 -4.74743253
-0.00040745 0.00006915 -0.00011889
-0.02254819 -0.01167522 0.01688875
20.98309337 -9.62602452 -4.04990989
0.00001026 0.00017563 -0.00046181
0.00185747 0.00729051 -0.03576497
2.83761776 -10.83094265 6.80166343
-0.00024061 -0.00001569 -0.00017258
-0.05854058 0.03224531 -0.01347186
-1.74884550 -1.71317851 -19.53307687
-0.00018192 -0.00027537 0.00032644
0.01238565 0.05570810 0.04138177
-0.63358626 5.03833323 -11.27975518
0.00022331 0.00040416 -0.00009954
-0.03666796 -0.01865321 0.01858903
-4.89505512 15.49048711 13.48066449
0.00002391 -0.00005736 0.00009728
-0.02668871 -0.03302939 -0.02685437
-4.95990389 3.04105931 -7.77507359
0.00000947 0.00010673 -0.00052767
0.00698139 0.02066165 0.01044599
-8.66235483 0.14587037 -4.52123527
0.00009823 -0.00014901 0.00024087
-0.02367182 0.01541570 0.03765464
2.92413243 27.89327323 5.71340564
0.00006390 -0.00001166 -0.00016371
0.01760995 -0.03685138 0.05752770
8.72348846 -9.65676496 -2.09307248
-0.00017423 0.00020991 -0.00009519
-0.01228396 -0.03120916 0.00382576
-6.40273882 1.33239993 9.79485306
0.00028109 0.00031389 0.00037633
-0.03137610 0.02082633 0.00884485
19.73438845 9.62185900 6.14542798
-0.00016267 -0.00031422 -0.00042653
0.01681997 0.01539272 -0.02730158
-3.41006730 0.67536259 -24.31985325
0.00005862 -0.00013721 0.00004623
0.07777141 -0.01377041 0.05436860
-13.61201292 8.43432446 9.49614086
-0.00009530 -0.00004524 -0.00002835
0.00158414 -0.00415539 -0.00211222
-13.88503455 5.79448018 -3.93445616
0.00016589 -0.00014742 0.00000649
0.03179655 -0.04011344 0.00154996
-3.80409462 -15.12156922 21.14761362
-0.00003890 0.00012014 0.00015614
0.00050204 -0.01300968 -0.00021057
-6.23392113 8.50222944 -6.66005965
-0.00030832 0.00024265 0.00045054
0.01149934 0.01240702 -0.01371628
-19.79427527 30.23266424 1.19847952
0.00009064 0.00020311 0.00024468
0.03393691 0.01733696 0.00202070
10.34767039 3.56700998 8.15466732
-0.00005941 0.00031237 0.00012561
0.00082279 0.03556488 0.00217395
7.47672077 16.50736375 -11.73160018
0.00000861 0.00003466 -0.00011056
-0.00797616 -0.02233219 0.02156685
14.02047230 4.59353065 -0.81147778
0.00020911 -0.00024725 0.00033732
0.01110053 -0.02598223 -0.00302067
-5.58879521 11.88134244 -1.29874051
-0.00031259 -0.00017971 0.00005968
0.01301741 0.02552168 -0.04321726
8.23378710 11.69440681 4.96944909
0.00024802 -0.00071536 -0.00009722
0.00141991 0.05309631 -0.00807014
19.84858366 -11.17768856 -10.42023673
0.00009847 -0.00004825 -0.00032910
-0.00827091 -0.04114884 0.01537727
19.14801374 -5.91548034 -0.25201987
0.00030869 0.00019405 0.00019123
-0.00586870 0.02498907 -0.02646683
15.99484665 7.68013576 9.59552641
-0.00016341 -0.00021199 -0.00000200
0.00605132 -0.02164218 -0.00127258
3.87931114 -14.53221084 16.60658205
-0.00014248 -0.00020126 -0.00000810
0.02038828 -0.01188005 -0.02734033
-3.51372883 -2.47562883 -13.79383071
-0.00047633 -0.00016804 -0.00036890
-0.00786576 -0.00463875 -0.00644287
16.15937576 -6.68958247 -13.33027510
0.00028336 0.00053078 0.00033334
-0.01411190 0.00680915 -0.01617122
10.61194363 -4.34209607 6.38884557
-0.00004051 -0.00021086 0.00041571
0.02890841 -0.01440960 -0.01852913
-19.53121129 0.81708919 24.99571073
0.00002018 -0.00016749 0.00026020
-0.00973520 0.02725339 0.00969745
24.07102530 -0.77058945 -7.51628419
-0.00000697 0.00003819 0.00031648
-0.00554939 -0.00869750 0.00728304
11.48355223 -9.78956360 -11.24197069
0.00008135 0.00016398 0.00008018
-0.00425685 -0.00760666 0.00044243
-9.70430602 -9.92663065 16.56418481
-0.00014069 -0.00006803 0.00036524
-0.02324915 -0.01410102 -0.02923207
7.36119959 0.29137175 -28.56396434
-0.00003389 -0.00035015 -0.00007887
-0.01260295 -0.00109228 0.00775317
12.59172103 17.76097459 12.22681408
0.00000848 0.00005691 0.00001066
-0.01402933 -0.03415179 0.01308919
25.91522585 7.36519758 -11.10743998
-0.00008410 0.00015742 -0.00020224
0.00890040 0.00939535 0.01474968
3.64516894 -29.88644920 -4.86959494
-0.00031112 0.00013034 -0.00031910
0.01332223 -0.01171382 0.01274955
3.42786129 -30.82244623 -2.05964809
-0.00024827 0.00012862 0.00056907
0.00042568 0.00093931 -0.01456107
-9.84409965 3.33732918 -8.74008745
0.00112337 0.00001586 -0.00002445
0.01403535 0.01026756 0.01055536
-11.42785935 2.68170740 -11.12206331
-0.00049849 -0.00017574 -0.00069660
-0.00465306 0.00172483 0.00305320
-37.10665391 3.58614085 3.12405087
0.00081326 -0.00012461 -0.00041428
-0.00001567 -0.02457443 0.01257398
-38.80677114 1.33902095 3.54408005
-0.00088408 0.00078556 0.00041427
-0.02944616 -0.01820277 -0.00251292
-8.81006627 -3.79821793 1.57401086
-0.00082999 -0.00019158 0.00027626
-0.00695914 -0.00706489 0.00651793
-6.33600007 -4.67865648 2.64301243
0.00022969 0.00009117 -0.00011639
-0.00161852 0.00188669 0.00678790
3.55607881 -1.29031714 9.05350823
-0.00058457 0.00023717 0.00023217
-0.02829759 0.02503509 0.01297911
2.09376333 1.18226569 8.42094371
-0.00089513 -0.00003048 -0.00097239
-0.00193235 0.00264590 0.00349628
-30.87109978 -0.47221340 3.72126767
0.00012837 0.00059244 0.00040920
-0.00544963 0.03123014 -0.00598851
-32.97308759 1.59471306 3.07226212
-0.00069562 0.00033230 0.00036774
-0.01368686 -0.00744366 0.00304090
15.50391023 11.95740387 -18.34010759
0.00094090 -0.00044623 -0.00098464
-0.05388717 -0.04694033 -0.02604598
17.86278157 12.33010159 -17.23362963
-0.00001839 -0.00028704 -0.00033113
0.01506026 -0.00106812 0.00575114
-2.98263980 6.53497925 5.25979203
0.00009740 -0.00070632 -0.00062820
0.00889426 0.01080348 -0.00053216
-3.78007550 5.49359675 2.73842942
-0.00063050 0.00067518 -0.00081947
0.00166470 0.00815376 -0.01991742
5.68388226 16.76650156 -7.92480007
0.00043697 0.00042607 0.00025156
0.01937009 -0.02153677 -0.04947807
5.93304746 18.76590969 -6.10572155
0.00007168 0.00093196 0.00136135
0.00208143 0.00932244 0.01063980
8.60749752 6.52730851 -22.85299071
0.00096284 -0.00043737 0.00045363
0.00927019 -0.00043950 0.00323179
9.70030367 7.46821032 -19.97368092
0.00023699 -0.00015400 0.00075525
-0.00333197 -0.00131332 -0.02188317
19.42654009 19.97753267 -3.94141244
0.00035493 0.00074686 0.00070086
0.00343066 0.02295901 -0.00247059
20.71630597 19.59722421 -6.66123356
0.00098778 0.00001325 -0.00066823
-0.00378562 0.00694230 0.01762726
2.01667596 12.99008266 -20.81017444
0.00046326 -0.00025809 -0.00014427
-0.01479016 0.01203579 0.00258830
0.33136124 15.41736319 -21.89101651
0.00061910 0.00030863 -0.00031605
0.01546846 -0.02315148 0.00901804
9.78954751 -7.17197056 -0.52331813
-0.00021544 -0.00074815 0.00006080
0.00887034 0.02703640 0.00584406
9.26053556 -4.20753918 -0.42432076
-0.00047585 0.00023581 0.00007799
0.01461905 -0.01450567 0.00462171
-16.97693984 -6.38941762 6.43283743
0.00028143 -0.00055000 -0.00039822
-0.01194185 -0.00319793 0.00804044
-17.95224966 -5.48853010 3.75369304
-0.00035605 0.00094524 -0.00011637
-0.02520375 -0.00828257 -0.01292750
-14.33110121 -0.90410696 19.08572601
0.00044835 -0.00043094 -0.00089780
-0.00691900 0.02360374 -0.03630842
-14.95731693 -0.39113988 21.94080028
-0.00042820 0.00061249 -0.00001090
-0.00643852 0.01100905 0.00360563
-0.23938010 2.96839278 -3.52257713
0.00063529 -0.00046262 -0.00057235
0.00762079 0.01679812 0.00155659
0.83599295 2.25916290 -5.89506280
-0.00030739 -0.00002560 0.00023148
0.01281479 -0.00768161 -0.01520806
20.29312730 -9.06219082 -5.68560543
-0.00077734 -0.00022299 0.00044954
0.00151848 -0.00706857 0.01478519
22.81632406 -9.61232225 -4.45394797
-0.00108611 0.00053917 0.00102662
-0.01293742 -0.00524578 0.01381985
4.44918927 -11.26749000 6.39099055
0.00091375 -0.00018640 0.00100492
0.06454656 -0.01436793 -0.02208707
2.56002579 -11.62523428 8.34562017
-0.00005548 0.00034892 -0.00013507
-0.00502273 -0.01434406 0.03815725
-2.60905580 -3.01089809 -20.28427037
-0.00015692 0.00021752 -0.00079044
-0.02686925 -0.05422380 -0.02759786
-2.59011677 -1.40773053 -17.89289180
-0.00024745 0.00028947 0.00024850
0.00903062 -0.00346539 -0.01626568
1.04990502 5.53994522 -11.13260892
-0.00031291 0.00038667 -0.00099345
0.04190052 0.01662613 -0.00897380
-0.79163350 4.19429891 -9.64607368
-0.00029603 -0.00033656 0.00091339
-0.01605828 0.00217265 -0.00942014
-4.04388314 16.30393433 14.75079207
-0.00032286 0.00114524 0.00026620
0.03143793 0.03280308 0.04356070
-6.64008478 15.81001028 13.89845718
0.00006764 0.00074597 -0.00038355
-0.00390241 0.00033327 0.00077517
-5.62399362 2.02335469 -6.44552004
0.00054442 0.00027629 0.00018590
-0.00491930 -0.01045934 0.00634428
-5.67989034 2.40884371 -9.31741541
0.00013600 -0.00080103 -0.00054475
-0.00066671 -0.00805239 -0.01532041
-9.55283335 -1.44179930 -4.13658592
0.00035258 -0.00119839 -0.00075815
0.00948602 0.01632299 -0.00330874
-9.41066824 1.42464178 -3.27614517
0.00002641 -0.00016814 0.00062032
0.01730917 -0.02854952 -0.02883596
2.44161577 29.07833917 4.53834009
0.00042747 -0.00069388 -0.00014638
-0.01845266 0.03684289 -0.03668160
2.73360584 28.63488150 7.40813885
-0.00070812 -0.00112956 0.00048274
0.00024364 -0.00968912 -0.02091370
7.33159215 -10.25252579 -3.16127206
0.00076902 0.00023592 0.00086814
0.00051157 0.01738574 0.00642483
8.73345908 -10.98019952 -0.80008184
0.00018617 0.00032016 -0.00053372
0.00541493 0.00393250 -0.00212486
-5.34886605 -0.13072355 9.54347858
-0.00039361 -0.00130489 0.00054837
0.00697164 -0.01939253 -0.00783532
-8.16793472 0.83343227 10.07692801
0.00057650 -0.00030829 -0.00027763
0.01946005 -0.00213902 -0.00516817
19.39077906 9.41032411 7.88341946
-0.00023792 0.00047510 -0.00015440
-0.00479791 0.00100220 0.02603245
21.43298008 10.34933428 5.97564492
0.00137349 0.00056255 0.00010493
-0.00665666 -0.00776312 0.00380955
-2.80147270 0.31385368 -22.46449511
-0.00024351 0.00063694 -0.00020222
-0.01739561 0.01001110 -0.04812115
-5.14029795 0.73539362 -24.21485621
-0.00079094 -0.00053049 -0.00051788
-0.05642280 0.00165837 -0.00018793
-12.65515828 9.44884688 10.67944513
-0.00041141 0.00038957 -0.00001504
0.00198056 0.00126815 0.00033010
-13.42138544 9.47267472 7.99333955
0.00021472 0.00063033 -0.00018352
-0.00615844 0.00338829 -0.00754912
-13.74792441 4.11246696 -4.81047064
-0.00003405 0.00077328 0.00008677
-0.00806761 0.03397328 0.01270012
-14.95523504 6.89751021 -4.86896815
0.00047975 -0.00027284 -0.00038414
-0.01957297 -0.00203096 -0.01074342
-5.33778835 -16.20151993 21.35680401
0.00007709 0.00017632 0.00016546
0.01223372 0.01149577 -0.01426791
-3.04616980 -15.52654565 19.51548537
0.00042155 0.00035171 0.00008389
-0.00909345 0.00113049 0.01170909
-6.48455675 6.73712543 -6.46908394
-0.00029503 -0.00031965 -0.00051654
0.00205827 -0.01732041 0.00419573
-7.15618893 9.38386353 -5.36747686
-0.00069384 -0.00006648 -0.00001807
-0.00870942 0.00273726 -0.00018979
-20.57380845 31.06888606 -0.20026953
-0.00057888 0.00022285 0.00019261
-0.00833342 -0.00120481 -0.00536275
-17.99976937 30.82292378 1.14540986
-0.00045027 -0.00036185 -0.00076070
-0.02284786 -0.01641721 0.00084432
9.26126301 2.94158250 6.80895191
-0.00106913 0.00018773 -0.00099855
-0.00452962 -0.00233157 0.00106752
9.93522745 5.42594086 8.41207130
0.00009543 -0.00071077 -0.00022364
-0.00087320 -0.02971211 -0.00365934
8.54317652 17.70405166 -12.54386927
-0.00043643 0.00054672 0.00086477
0.01091897 0.00955694 -0.01306321
8.72102499 15.24132436 -11.18067070
-0.00041448 -0.00012767 -0.00013470
-0.01042271 0.00832317 -0.00509765
12.85957078 5.59499905 0.07618395
-0.00072708 -0.00046283 0.00089447
-0.02406226 0.03684679 0.00382714
14.26508367 3.47864606 0.62023357
-0.00008069 0.00055294 0.00013985
0.00840373 -0.02104200 0.00385682
-4.36814584 11.58639142 -2.78080091
-0.00051947 0.00088991 -0.00108613
-0.02210714 -0.00376612 0.04673892
-5.57859725 10.46803991 -0.17998987
-0.00009529 -0.00047958 -0.00011037
0.00814851 -0.01414629 -0.00424119
7.92235892 13.62758043 4.70816175
-0.00030067 -0.00044499 -0.00002370
0.00519374 -0.05095566 0.00829393
10.01375448 11.44845639 4.48704598
0.00066013 0.00000962 0.00008762
-0.01011699 -0.00256249 0.00213115
18.45890081 -11.59354296 -9.17631451
0.00057862 0.00098724 0.00037931
0.02659875 0.00809649 -0.01893890
20.65530932 -12.88915616 -10.69542393
-0.00039284 0.00086174 0.00010416
-0.01400390 0.02840753 0.00988385
18.86452436 -5.25245593 -2.00158877
-0.00038737 0.00081128 0.00039509
0.01236107 -0.01092504 0.02505015
18.15316412 -7.46221384 -0.32862299
-0.00016941 0.00031527 -0.00026385
-0.00479392 -0.01561820 0.00436918
15.29431272 9.30272895 9.36201811
-0.00055192 -0.00011253 -0.00026369
-0.01009383 0.01763583 0.00148426
16.47963241 7.49302681 11.33898671
0.00055407 0.00045728 0.00029505
-0.00250062 0.00352678 0.00225561
2.67359334 -15.84056515 17.12248275
-0.00006143 0.00044038 0.00128984
-0.00463432 0.00957198 0.00692635
3.65989355 -12.82963565 17.12101697
-0.00062186 -0.00095297 0.00035701
-0.01699386 0.01183294 0.01190301
-3.99940285 -4.26832299 -13.52701474
-0.00013041 -0.00078187 -0.00017062
-0.00639169 0.00891200 -0.00205489
-1.79243051 -2.31723137 -13.33481542
-0.00053750 -0.00001171 -0.00016388
0.01896713 0.00361333 0.00628357
16.09797548 -7.54560830 -14.98334403
-0.00013546 0.00066312 0.00041943
-0.00330985 -0.00078633 -0.00540689
17.08969831 -7.74306943 -12.22987508
0.00021493 0.00029266 0.00028832
0.01397013 -0.01177468 0.01782161
9.69273131 -4.59399922 4.83591489
0.00001377 0.00030807 -0.00017921
-0.01883073 0.00472273 0.00227160
12.26884915 -4.84286853 5.63681407
-0.00087889 0.00038006 0.00011664
-0.01205698 0.01405413 0.01892200
-21.07406071 -0.07693906 24.57548036
0.00031461 0.00115555 -0.00006111
0.00103715 -0.00238426 0.00427839
-20.04548275 2.44353803 25.79824911
-0.00062776 0.00083923 -0.00083900
0.00224723 -0.01860079 -0.01090516
24.71388754 -2.51207473 -7.27708477
-0.00069214 -0.00003493 0.00027731
0.00043613 0.01398554 -0.00242025
24.13447142 -0.40324614 -9.31650635
-0.00003059 -0.00057212 -0.00055065
0.00100761 -0.00154358 -0.00587868
12.58961619 -10.14075920 -9.86303590
-0.00050947 -0.00044216 -0.00045917
0.00427096 -0.00171562 0.01970820
12.40107058 -8.50330566 -12.11150485
0.00003123 -0.00023507 0.00048389
0.00329274 0.01133473 -0.01386748
-9.36516381 -9.13695521 18.13559651
-0.00002086 0.00009767 0.00018827
-0.00266448 0.00551499 0.01733808
-11.54801203 -10.28821310 16.51807365
0.00034303 0.00146640 0.00024678
0.03351991 0.00972850 0.01050086
8.52124730 0.66695965 -29.95259708
-0.00047770 -0.00119445 -0.00088995
-0.00088284 0.00846602 0.00141319
5.67854572 1.01055714 -28.86265004
0.00045562 -0.00056483 -0.00060997
0.01301128 -0.00796691 -0.00400747
12.50026687 19.49239887 12.43592870
-0.00022572 0.00018501 0.00023935
-0.00449341 0.04418106 0.00885333
14.00819247 17.49562135 11.17725394
-0.00095331 -0.00069503 -0.00057614
0.01932076 -0.00437092 -0.02192381
27.63635200 7.66007121 -11.72839193
0.00092773 0.00033816 0.00058005
0.00183931 -0.00140966 0.00056526
26.04263870 7.58902955 -9.24856510
-0.00010146 -0.00088216 0.00017561
-0.00278957 -0.00102085 -0.01060031
-7.21100777 4.60077990 6.70114701
0.00028800 -0.00003460 -0.00002026
-0.00131652 -0.00758165 -0.00522069
-9.01325141 8.75983718 3.86755618
0.00023572 -0.00005171 0.00003560
-0.00214193 -0.00876495 -0.00232700
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07753618
0.28702503
382.44645764
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4182858463 (a.u.)
total exchange computation time: 3.1319708824 s
-154.3004394987
-931.36917738
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.4173278262 (a.u.)
total exchange computation time: 3.1314139366 s
-154.3091077812
Anderson extrapolation: theta=1.3626265658 (1.3626265658)
-931.36945177
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4159544542 (a.u.)
total exchange computation time: 3.1298379898 s
-154.3213400589
Anderson extrapolation: theta=0.0606523428 (0.0606523428)
-931.36962154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4158242059 (a.u.)
total exchange computation time: 3.1301069260 s
-154.3224363273
Anderson extrapolation: theta=2.1655881093 (2.0000000000)
-931.36963016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4155657068 (a.u.)
total exchange computation time: 3.1292979717 s
-154.3245862288
Anderson extrapolation: theta=0.3320062864 (0.3320062864)
-931.36964124
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4154990328 (a.u.)
total exchange computation time: 3.1335558891 s
-154.3251207302
Anderson extrapolation: theta=1.3068950762 (1.3068950762)
-931.36964415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4154464837 (a.u.)
total exchange computation time: 3.1321599483 s
-154.3255142629
Anderson extrapolation: theta=0.3997260095 (0.3997260095)
-931.36964695
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4154576770 (a.u.)
total exchange computation time: 3.1310570240 s
-154.3253910954
Anderson extrapolation: theta=0.9440220728 (0.9440220728)
-931.36964787
72.992768 201.653718 -294.338731
547.779625 1079.359811 -416.074670
620.772392 1281.013529 -710.413402
1590.924645
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0635174419
ExchangeOperator: pair fraction: ispin=0: 0.1609302326
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4154906038 (a.u.)
total exchange computation time: 3.1325819492 s
679.52348554
-1085.20106415
89.73767593
-388.09200474
-174.92225045
79.06506627
551.60419304
0.00000000
-931.36964847
3.77558442 -31.44363559 -3.82389786
-0.00035886 0.00039659 -0.00007698
-0.00623559 0.01459409 0.00139164
-11.13956020 2.25480446 -9.32026097
-0.00012309 -0.00013608 0.00002520
-0.00986370 -0.01063380 -0.01581158
-37.13356634 1.85780845 3.91876297
0.00022006 0.00012349 0.00020098
0.04084638 0.04565732 -0.01458718
-7.74706327 -3.58724171 3.07368542
0.00007621 -0.00013473 -0.00019311
0.00724346 -0.00349925 -0.01631925
2.20816016 -0.10380191 9.71678148
0.00031553 0.00008473 0.00000826
0.02699331 -0.02263127 -0.02564456
-31.23457931 1.40310282 3.51495274
-0.00006041 -0.00018669 0.00000270
0.01638922 -0.01552333 -0.00029255
16.39600623 13.29302122 -17.72254207
0.00006042 -0.00013782 0.00013379
0.04071832 0.05103369 0.01867122
-3.21892321 4.97420300 4.34780924
-0.00005423 -0.00009723 -0.00039079
-0.01003892 -0.02734141 0.00507432
4.84108475 17.36300820 -6.51680304
-0.00010964 -0.00008525 -0.00027030
-0.01557426 0.01892058 0.03560526
8.27711092 7.14900646 -21.14448170
0.00005092 0.00054415 -0.00025266
-0.00884960 0.00366182 0.01805974
19.62538590 18.86964750 -5.36665197
0.00052695 -0.00016357 0.00000744
0.00146307 -0.01720724 -0.01348038
2.04926562 14.70840656 -21.45392991
-0.00020875 -0.00011571 0.00012437
-0.00036802 0.00705859 -0.00715797
10.49411515 -5.53560841 0.13077002
0.00007114 -0.00004524 -0.00018620
-0.01886989 -0.00326942 -0.01020879
-16.59345564 -5.52805595 4.89647558
0.00020447 -0.00009471 -0.00014884
0.03408199 0.00876816 0.00305352
-14.26596124 -1.52806629 20.73055203
0.00013382 -0.00006706 0.00009019
0.00736593 -0.02215226 0.02968545
0.97040240 3.66109991 -4.74915078
-0.00041822 0.00006366 -0.00011093
-0.01931128 -0.00968410 0.01407406
20.98325446 -9.62336200 -4.05697500
0.00000910 0.00017892 -0.00047843
-0.00635907 0.00552638 -0.02888102
2.83378282 -10.83105363 6.79902277
-0.00026796 0.00000020 -0.00018040
-0.04781771 0.02955422 -0.01692706
-1.75152648 -1.71709418 -19.52802058
-0.00017561 -0.00024707 0.00034745
0.01213825 0.05434993 0.04030643
-0.63037809 5.04432369 -11.28117653
0.00020281 0.00039317 -0.00008827
-0.04304883 -0.02410365 0.02521123
-4.89479945 15.48949928 13.48202012
0.00001117 -0.00007355 0.00008498
-0.02286152 -0.02993380 -0.02099262
-4.95973490 3.04274000 -7.78294830
0.00001268 0.00011693 -0.00052228
0.00551657 0.01900295 0.01048880
-8.66097263 0.14369469 -4.51747693
0.00008580 -0.00014176 0.00026034
-0.02467122 0.01279481 0.03805753
2.92515883 27.89295621 5.71117184
0.00007328 -0.00003168 -0.00013306
0.01885969 -0.04102645 0.06169344
8.72082759 -9.65373663 -2.09448555
-0.00017887 0.00019494 -0.00009229
-0.00574109 -0.02700254 0.00743852
-6.39864354 1.33718868 9.80053206
0.00026629 0.00032281 0.00038052
-0.02617376 0.01382745 0.00746660
19.73201325 9.61720511 6.13892468
-0.00015146 -0.00030523 -0.00044021
0.02677321 0.01954464 -0.02587189
-3.40888806 0.67325130 -24.31895011
0.00009594 -0.00014400 0.00007372
0.06736949 -0.01264480 0.05254873
-13.61343637 8.43362987 9.49570747
-0.00009429 -0.00004651 -0.00003007
0.00234184 -0.00079978 -0.00457019
-13.88242361 5.79211408 -3.93435288
0.00018198 -0.00016685 0.00000775
0.03079324 -0.03540901 0.00337311
-3.80467617 -15.11981737 21.14995487
-0.00003828 0.00011355 0.00015581
0.00191852 -0.01259584 -0.00106962
-6.23850158 8.50591705 -6.65335453
-0.00030213 0.00024775 0.00044311
0.01258071 0.00741273 -0.01514045
-19.79278469 30.23577784 1.20215759
0.00010667 0.00021200 0.00024501
0.02839958 0.01723193 -0.00074439
10.34678243 3.57183268 8.15655984
-0.00006026 0.00032827 0.00012452
-0.00415192 0.02626117 -0.00642680
7.47681917 16.50779748 -11.73317543
0.00000376 0.00002295 -0.00009928
-0.01089589 -0.02321163 0.02232272
14.02365171 4.58972175 -0.80642965
0.00021322 -0.00025867 0.00033588
0.00490582 -0.01843581 -0.00255601
-5.59343378 11.87874520 -1.29801203
-0.00030569 -0.00016656 0.00003717
0.01379365 0.02562493 -0.04432732
8.23751289 11.68388119 4.96795963
0.00024900 -0.00068784 -0.00010144
0.00238312 0.05393117 -0.00832075
19.85002888 -11.17857099 -10.42511399
0.00009367 -0.00006772 -0.00032102
-0.01041960 -0.03455940 0.01607256
19.15262139 -5.91247325 -0.24925347
0.00030529 0.00020661 0.00017742
-0.00732001 0.02388073 -0.02726116
15.99241891 7.67687244 9.59549151
-0.00016036 -0.00022249 -0.00000193
0.00578431 -0.01919784 0.00152729
3.87725253 -14.53527561 16.60635504
-0.00013205 -0.00020829 -0.00002229
0.02020522 -0.01543929 -0.02781704
-3.52090416 -2.47816726 -13.79938905
-0.00048041 -0.00017104 -0.00037203
-0.00798000 -0.00704558 -0.00573526
16.16357168 -6.68159447 -13.32533733
0.00027625 0.00053413 0.00032528
-0.01354021 0.00622466 -0.01519553
10.61144753 -4.34531458 6.39500979
-0.00002717 -0.00021799 0.00040576
0.02294401 -0.01332580 -0.02018763
-19.53094609 0.81468199 24.99965120
0.00001603 -0.00015178 0.00026588
-0.00643344 0.03384996 0.01235952
24.07089931 -0.77005011 -7.51150885
-0.00000992 0.00003418 0.00031876
-0.00590488 -0.00692378 0.00157890
11.48475602 -9.78713317 -11.24076632
0.00007785 0.00015964 0.00007985
-0.00934647 -0.00929636 -0.00172627
-9.70650602 -9.92770546 16.56955061
-0.00015140 -0.00007491 0.00035032
-0.01839583 -0.01267054 -0.02876826
7.36064261 0.28611525 -28.56511748
-0.00003948 -0.00035098 -0.00007516
-0.00911582 -0.00210826 0.00666118
12.59179411 17.76169646 12.22702446
0.00000068 0.00003999 0.00001796
-0.01629938 -0.03162588 0.01531384
25.91399874 7.36759511 -11.11041665
-0.00007827 0.00016244 -0.00019459
0.01375290 0.01011496 0.01499651
3.64091030 -29.88485303 -4.87399077
-0.00025718 0.00008388 -0.00026678
0.01308611 -0.01102747 0.01285983
3.42415028 -30.82048820 -2.05155823
-0.00024553 0.00013218 0.00050349
0.00091749 0.00080759 -0.01754185
-9.82681898 3.33788176 -8.74013069
0.00116754 0.00004685 0.00001182
0.00758376 0.00490240 0.00719642
-11.43547931 2.67912418 -11.13241873
-0.00051500 -0.00016982 -0.00067580
-0.00342790 0.00117211 0.00712595
-37.09445555 3.58351874 3.11822201
0.00081267 -0.00022448 -0.00036263
-0.00027348 -0.02431378 0.01270827
-38.82093473 1.35024651 3.55021716
-0.00099119 0.00071520 0.00040713
-0.02298198 -0.01623589 -0.00098169
-8.82272937 -3.80130809 1.57835450
-0.00085575 -0.00022105 0.00030409
-0.00565071 -0.00736413 0.00710462
-6.33260432 -4.67723105 2.64147464
0.00022234 0.00009847 -0.00008976
-0.00198019 0.00168500 0.00624376
3.54644317 -1.28599248 9.05738845
-0.00069270 0.00033358 0.00028131
-0.02463504 0.02215781 0.01107626
2.08027721 1.18188961 8.40646495
-0.00090184 -0.00002736 -0.00095033
-0.00135155 -0.00111991 0.00730457
-30.86934129 -0.46236987 3.72722219
0.00010619 0.00071202 0.00038481
-0.00540441 0.02730706 -0.00594927
-32.98394137 1.59946949 3.07787140
-0.00074144 0.00029947 0.00038271
-0.00874059 -0.00862711 0.00428679
15.51637241 11.94927208 -18.35567525
0.00072429 -0.00063179 -0.00108959
-0.05214442 -0.04389264 -0.02533240
17.86296725 12.32576330 -17.23842041
0.00004511 -0.00029130 -0.00030612
0.01602368 -0.00101842 0.00649188
-2.98090631 6.52471544 5.25035266
0.00013528 -0.00065373 -0.00062468
0.00964975 0.01494422 0.00225616
-3.78948199 5.50397425 2.72552701
-0.00061903 0.00070399 -0.00088768
0.00394792 0.00594995 -0.01346926
5.69103042 16.77223264 -7.92254285
0.00051959 0.00033794 0.00004626
0.02107306 -0.02160041 -0.05101903
5.93418649 18.78017482 -6.08497533
0.00006866 0.00095406 0.00139829
-0.00356323 0.00149142 0.00744445
8.62222415 6.52073452 -22.84608726
0.00100011 -0.00043944 0.00046490
0.00897630 -0.00057287 0.00228804
9.70375645 7.46586003 -19.96302274
0.00021745 -0.00016011 0.00066139
-0.00623411 -0.00167618 -0.02406302
19.43196921 19.98943911 -3.93097522
0.00037098 0.00083060 0.00067707
0.00442344 0.01803288 -0.00917552
20.73100666 19.59763574 -6.67071685
0.00096579 0.00003786 -0.00058805
-0.00697715 0.00510242 0.02162016
2.02317166 12.98658012 -20.81225918
0.00040131 -0.00020840 -0.00013364
-0.01553727 0.01228596 0.00261275
0.34112175 15.42128327 -21.89548099
0.00067625 0.00021450 -0.00027965
0.01250456 -0.02292614 0.00880443
9.78658774 -7.18236432 -0.52222702
-0.00017719 -0.00063127 0.00008642
0.00985422 0.03017701 0.00669463
9.25384573 -4.20444655 -0.42300923
-0.00041300 0.00017291 0.00009785
0.01614906 -0.01628151 0.00509845
-16.97308428 -6.39776560 6.42711053
0.00023217 -0.00056267 -0.00036543
-0.01217157 -0.00300251 0.00801200
-17.95836269 -5.47460530 3.75155130
-0.00045222 0.00091112 -0.00016313
-0.02187094 -0.00842085 -0.00996157
-14.32458793 -0.90984779 19.07114645
0.00042063 -0.00033979 -0.00103075
-0.00665276 0.02101571 -0.02877093
-14.96393723 -0.38161517 21.94074729
-0.00045060 0.00065113 -0.00000361
-0.00452672 0.00790538 -0.00003538
-0.22961723 2.96196817 -3.53111475
0.00065860 -0.00039693 -0.00055712
0.00379180 0.01535717 0.00590034
0.83177478 2.25854358 -5.89205656
-0.00025410 -0.00005809 0.00016649
0.01327172 -0.00822441 -0.01660797
20.28151377 -9.06575231 -5.67840928
-0.00077174 -0.00024886 0.00050169
0.00122320 -0.00559301 0.01074213
22.79963591 -9.60439541 -4.43812522
-0.00112178 0.00051861 0.00107670
-0.00452055 -0.00481970 0.01069437
4.46487337 -11.27072623 6.40538746
0.00115695 -0.00023915 0.00091972
0.05450362 -0.01145739 -0.01961471
2.55903969 -11.62044006 8.34476338
-0.00007756 0.00028979 0.00002311
-0.00578724 -0.01459816 0.03927238
-2.61223291 -3.00929684 -20.29697260
-0.00026491 0.00000088 -0.00089966
-0.02599275 -0.05182503 -0.02587011
-2.59355176 -1.40349469 -17.88966266
-0.00021149 0.00027334 0.00018095
0.00857201 -0.00442769 -0.01680145
1.04649527 5.54625478 -11.14778565
-0.00013341 0.00045606 -0.00102706
0.04596827 0.01734012 -0.00747854
-0.79656603 4.18931715 -9.63266144
-0.00035733 -0.00031826 0.00085869
-0.01394963 0.00678171 -0.01735884
-4.04776270 16.32211807 14.75611986
-0.00020072 0.00127323 0.00043366
0.02835131 0.02985206 0.03841441
-6.63918975 15.82121005 13.89272772
0.00005106 0.00074677 -0.00038099
-0.00421352 0.00006012 0.00047516
-5.61597808 2.02717847 -6.44253712
0.00052586 0.00023600 0.00020809
-0.00416579 -0.00926001 0.00451517
-5.67787073 2.39658151 -9.32605610
0.00013473 -0.00083247 -0.00060340
0.00004448 -0.00733984 -0.01339143
-9.54725391 -1.45927499 -4.14805952
0.00039405 -0.00112393 -0.00077144
0.01081162 0.02012429 -0.00319905
-9.40974167 1.42124480 -3.26772397
0.00009675 -0.00028718 0.00050161
0.01712310 -0.02971833 -0.02927521
2.44746238 29.06906001 4.53502036
0.00034921 -0.00053569 -0.00030123
-0.01985509 0.04058982 -0.03911725
2.72299153 28.61764122 7.41473903
-0.00070674 -0.00116809 0.00039377
0.00043270 -0.00917194 -0.02263755
7.34314310 -10.24845429 -3.14805309
0.00075665 0.00030178 0.00088225
-0.00656559 0.01485656 0.00048457
8.73641752 -10.97527657 -0.80815282
0.00020921 0.00033228 -0.00053766
0.00586606 0.00199913 0.00019734
-5.35455652 -0.15089112 9.55146404
-0.00037019 -0.00137183 0.00051725
0.00449109 -0.01337608 -0.00739871
-8.15869092 0.82874232 10.07260523
0.00065089 -0.00031554 -0.00029753
0.01695274 -0.00140817 -0.00457513
19.38706317 9.41748136 7.88190123
-0.00025716 0.00047949 -0.00005233
-0.00461938 0.00114498 0.02392886
21.45337843 10.35753460 5.97733559
0.00132615 0.00052209 0.00012154
-0.01651592 -0.01204051 0.00432252
-2.80565843 0.32371451 -22.46900298
-0.00031346 0.00067626 -0.00039428
-0.01684459 0.00923670 -0.04589348
-5.15389099 0.72748707 -24.22263022
-0.00100179 -0.00052498 -0.00051985
-0.04679079 0.00103887 -0.00077343
-12.66126870 9.45472924 10.67922969
-0.00040406 0.00039336 -0.00001392
0.00161803 0.00058881 0.00021663
-13.41835334 9.48223354 7.99035543
0.00018816 0.00063912 -0.00020862
-0.00684301 0.00091265 -0.00473780
-13.74868236 4.12510721 -4.80877996
-0.00006514 0.00090133 0.00013393
-0.00715190 0.02870629 0.01038584
-14.94863858 6.89335533 -4.87505948
0.00040013 -0.00027991 -0.00042714
-0.01940335 -0.00143038 -0.01030365
-5.33625718 -16.19852279 21.35884866
0.00012564 0.00022200 0.00010665
0.01153279 0.01086032 -0.01451696
-3.04012518 -15.52123533 19.51710257
0.00038271 0.00035650 0.00013398
-0.00992177 0.00121471 0.01280697
-6.48891910 6.73179986 -6.47670347
-0.00028590 -0.00038164 -0.00049981
0.00241184 -0.01301951 0.00399440
-7.16686347 9.38295015 -5.36775372
-0.00073201 -0.00005413 -0.00001550
-0.00997180 0.00330836 0.00144560
-20.58274701 31.07219182 -0.19754467
-0.00061051 0.00021502 0.00017562
-0.00714866 -0.00262808 -0.00295442
-18.00722356 30.81699298 1.13402519
-0.00053480 -0.00042581 -0.00075680
-0.01853126 -0.01489473 0.00106413
9.24508729 2.94432704 6.79400637
-0.00107576 0.00018413 -0.00097924
0.00128174 0.00056696 0.00838624
9.93663218 5.41436883 8.40860454
0.00008985 -0.00082013 -0.00023640
-0.00185900 -0.02382141 -0.00258554
8.53696466 17.71254536 -12.53129797
-0.00038834 0.00058852 0.00080962
0.01262014 0.01090291 -0.01393320
8.71448845 15.23966440 -11.18284739
-0.00045464 -0.00009470 -0.00015523
-0.00923528 0.00781395 -0.00495043
12.84792728 5.58918574 0.08971835
-0.00081537 -0.00032033 0.00090159
-0.01915983 0.03290442 -0.00034576
14.26413080 3.48629539 0.62244955
-0.00004350 0.00045970 0.00016295
0.00980206 -0.02460225 0.00744704
-4.37661535 11.59962467 -2.79566061
-0.00061209 0.00087302 -0.00089000
-0.02322862 -0.00450381 0.04926614
-5.57977696 10.46041268 -0.18177534
-0.00006098 -0.00053562 -0.00013053
0.00865029 -0.01328279 -0.00563116
7.91800808 13.61934407 4.70806035
-0.00027859 -0.00065487 0.00001016
0.00561403 -0.05177759 0.00828377
10.02334635 11.44852216 4.48842555
0.00061587 -0.00000080 0.00009704
-0.01154863 -0.00253782 0.00248218
18.46839522 -11.57848632 -9.17120517
0.00068572 0.00101916 0.00030226
0.02582740 0.00753090 -0.01877753
20.64898763 -12.87535959 -10.69355862
-0.00044429 0.00096576 0.00014252
-0.01118362 0.02250934 0.00889323
18.85909263 -5.24062144 -1.99489484
-0.00033608 0.00076638 0.00049780
0.01274309 -0.01105612 0.02522987
18.15047605 -7.45796333 -0.33244680
-0.00018710 0.00025365 -0.00024512
-0.00386644 -0.01454696 0.00479539
15.28572463 9.30158137 9.35810822
-0.00059074 -0.00004579 -0.00025695
-0.00890810 0.01503456 0.00181605
16.48786685 7.49999409 11.34348154
0.00054198 0.00047223 0.00029793
-0.00341619 0.00378898 -0.00084570
2.67252995 -15.83366617 17.14204252
-0.00007983 0.00047721 0.00131664
-0.00437414 0.00845996 0.00619717
3.65004497 -12.84356756 17.12673691
-0.00069071 -0.00089501 0.00040751
-0.01671006 0.01653785 0.01281383
-4.00155489 -4.27977802 -13.52963705
-0.00015601 -0.00074004 -0.00017995
-0.00613797 0.01156741 -0.00250874
-1.79991173 -2.31729628 -13.33708101
-0.00046084 0.00000340 -0.00013845
0.01855717 0.00378502 0.00616276
16.09584218 -7.53568561 -14.97721827
-0.00014878 0.00065882 0.00039615
-0.00321145 -0.00131897 -0.00598733
17.09335035 -7.73904041 -12.22500420
0.00027069 0.00024567 0.00035957
0.01332638 -0.01122550 0.01705437
9.69236085 -4.58923345 4.83329628
-0.00006104 0.00032824 -0.00016400
-0.01779121 0.00515089 0.00517362
12.25529633 -4.83673693 5.63914354
-0.00091745 0.00043435 0.00019100
-0.00681716 0.01252004 0.01747505
-21.06930981 -0.05967889 24.57469476
0.00030840 0.00113764 -0.00004738
-0.00407787 -0.00638285 0.00244512
-20.05483026 2.45555648 25.78532999
-0.00061514 0.00075813 -0.00088492
0.00392877 -0.02109762 -0.01157434
24.70351875 -2.51217013 -7.27299931
-0.00068883 0.00001965 0.00026828
0.00118727 0.01273205 -0.00200038
24.13404344 -0.41187521 -9.32494617
-0.00002709 -0.00057926 -0.00056454
0.00070664 -0.00195239 -0.00092336
12.58210503 -10.14744410 -9.86931947
-0.00048549 -0.00045148 -0.00037058
0.00746828 -0.00285045 0.02365440
12.40163995 -8.50648438 -12.10467141
0.00004840 -0.00018320 0.00042350
0.00510963 0.01405800 -0.01569568
-9.36555837 -9.13532120 18.13895187
-0.00003079 0.00012048 0.00025909
-0.00219725 0.00565023 0.01733013
-11.54183937 -10.26591897 16.52209706
0.00046900 0.00150304 0.00028871
0.02814114 0.00820711 0.01002475
8.51405477 0.64930233 -29.96590298
-0.00048153 -0.00116036 -0.00088126
-0.00099160 0.00822149 0.00284016
5.68577878 1.00184053 -28.87192239
0.00050194 -0.00059502 -0.00062638
0.00966013 -0.00681188 -0.00402386
12.49674333 19.49652786 12.43979023
-0.00024243 0.00035968 0.00027385
-0.00368211 0.04131969 0.00803370
13.99448491 17.48506192 11.16794002
-0.00087117 -0.00071194 -0.00066857
0.02088622 -0.00390571 -0.02331861
27.65032430 7.66510047 -11.71967388
0.00092649 0.00033108 0.00058383
-0.00244342 -0.00205753 0.00128403
26.04103130 7.57576588 -9.24625582
-0.00011404 -0.00088626 0.00012952
-0.00336783 -0.00098835 -0.01196083
-7.20669124 4.60024052 6.70082915
0.00028754 -0.00003732 -0.00002211
-0.00125802 -0.00760387 -0.00515313
-9.00971929 8.75904632 3.86808606
0.00023522 -0.00005377 0.00003504
-0.00221118 -0.00900274 -0.00245356
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07729703
0.29235144
389.54363336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4075718738 (a.u.)
total exchange computation time: 3.1259307861 s
-154.2493082146
-931.37537785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4067123816 (a.u.)
total exchange computation time: 3.1225459576 s
-154.2568036711
Anderson extrapolation: theta=1.3702196212 (1.3702196212)
-931.37563256
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4053988445 (a.u.)
total exchange computation time: 3.1230270863 s
-154.2677754926
Anderson extrapolation: theta=0.0626605800 (0.0626605800)
-931.37579093
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4052119231 (a.u.)
total exchange computation time: 3.1238949299 s
-154.2690479503
Anderson extrapolation: theta=2.1885333340 (2.0000000000)
-931.37579900
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4048072321 (a.u.)
total exchange computation time: 3.1228911877 s
-154.2716796723
Anderson extrapolation: theta=0.3437944742 (0.3437944742)
-931.37580909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4046654915 (a.u.)
total exchange computation time: 3.1255578995 s
-154.2724907648
Anderson extrapolation: theta=1.2619457405 (1.2619457405)
-931.37581164
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4045126234 (a.u.)
total exchange computation time: 3.1220090389 s
-154.2732474397
Anderson extrapolation: theta=0.4311700961 (0.4311700961)
-931.37581384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4044759502 (a.u.)
total exchange computation time: 3.1238670349 s
-154.2733087868
Anderson extrapolation: theta=0.9402725508 (0.9402725508)
-931.37581456
73.010262 201.674706 -294.394986
547.718807 1079.397455 -416.086449
620.729069 1281.072161 -710.481435
1590.985332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4044654599 (a.u.)
total exchange computation time: 3.1230161190 s
679.34155339
-1084.80292754
89.74770676
-388.36554422
-174.89213791
78.84514143
551.60419304
0.00000000
-931.37581498
3.77017745 -31.43763050 -3.82504725
-0.00036209 0.00040380 -0.00007548
-0.00632347 0.01345208 0.00444956
-11.14144465 2.25272220 -9.31994402
-0.00012676 -0.00014011 0.00001684
-0.00437994 -0.00501262 -0.01668150
-37.13010790 1.85983697 3.92172133
0.00023929 0.00014622 0.00019311
0.03394851 0.04271982 -0.01598421
-7.74589213 -3.58927609 3.07072584
0.00007963 -0.00013635 -0.00020146
0.00604974 -0.00283101 -0.01616724
2.21299727 -0.10261823 9.71680652
0.00032809 0.00007491 -0.00000524
0.02185833 -0.01557708 -0.02687571
-31.23542220 1.40024257 3.51499205
-0.00005338 -0.00019318 0.00000219
0.01093950 -0.00972137 -0.00167581
16.39706958 13.29115073 -17.72046324
0.00008030 -0.00011296 0.00014280
0.03660588 0.04566760 0.01638902
-3.21977544 4.97263908 4.34196692
-0.00006015 -0.00011167 -0.00039050
-0.01295138 -0.02882063 -0.00392179
4.83938015 17.36180248 -6.52072020
-0.00011647 -0.00007384 -0.00025131
-0.01098529 0.02544172 0.03823599
8.27784051 7.15718284 -21.14820187
0.00004710 0.00054617 -0.00024270
-0.00599277 0.00420172 0.02064237
19.63329578 18.86712758 -5.36659242
0.00052819 -0.00017071 0.00000125
0.00334827 -0.01057600 -0.01058189
2.04613298 14.70669816 -21.45209191
-0.00020788 -0.00011225 0.00012083
0.00375431 0.00640595 -0.00661897
10.49510950 -5.53629960 0.12793760
0.00006096 -0.00004712 -0.00019168
-0.02071943 -0.00406123 -0.01110284
-16.59025710 -5.52944283 4.89425472
0.00022098 -0.00009025 -0.00014808
0.03012390 0.00857463 -0.00009459
-14.26392557 -1.52915761 20.73201933
0.00013702 -0.00007686 0.00010418
0.00510518 -0.01594829 0.02473543
0.96405465 3.66201747 -4.75076045
-0.00042721 0.00005916 -0.00010456
-0.01565572 -0.00781561 0.01071624
20.98336649 -9.62065685 -4.06426291
0.00000358 0.00018125 -0.00049139
-0.01513448 0.00351390 -0.02148428
2.82957898 -10.83093661 6.79625151
-0.00028934 0.00001438 -0.00018970
-0.03531566 0.02558889 -0.01924532
-1.75411382 -1.72059056 -19.52265333
-0.00016974 -0.00022010 0.00036740
0.01070401 0.05053199 0.03726930
-0.62750204 5.05012821 -11.28240338
0.00017954 0.00037966 -0.00007383
-0.04743438 -0.02841290 0.03094831
-4.89472015 15.48828052 13.48321381
0.00000059 -0.00008787 0.00007603
-0.01828225 -0.02574920 -0.01378354
-4.95952335 3.04456729 -7.79074208
0.00001508 0.00012620 -0.00051687
0.00379997 0.01702166 0.01056416
-8.65978075 0.14161771 -4.51342498
0.00007304 -0.00013589 0.00027981
-0.02493968 0.01000327 0.03766227
2.92633073 27.89232269 5.70941398
0.00008311 -0.00005340 -0.00010093
0.01938224 -0.04342496 0.06323184
8.71812243 -9.65091662 -2.09584123
-0.00018000 0.00018225 -0.00008748
0.00133510 -0.02234395 0.01127787
-6.39475018 1.34208411 9.80626866
0.00025443 0.00032816 0.00038408
-0.01994092 0.00697590 0.00638001
19.72984459 9.61270200 6.13222178
-0.00013556 -0.00029429 -0.00045282
0.03506413 0.02301937 -0.02319241
-3.40718908 0.67104246 -24.31764158
0.00012738 -0.00015017 0.00010000
0.05487945 -0.01135083 0.04963318
-13.61484176 8.43292910 9.49523883
-0.00009291 -0.00004606 -0.00003303
0.00305185 0.00254816 -0.00694350
-13.87957512 5.78947481 -3.93422357
0.00019742 -0.00018346 0.00000999
0.02924036 -0.02919298 0.00530682
-3.80524293 -15.11816270 21.15228787
-0.00003689 0.00010727 0.00015512
0.00348204 -0.01184010 -0.00161924
-6.24298498 8.50966185 -6.64676622
-0.00029543 0.00025020 0.00043502
0.01347371 0.00213961 -0.01634658
-19.79107502 30.23902437 1.20582991
0.00011963 0.00022079 0.00024393
0.02197278 0.01694555 -0.00344870
10.34586244 3.57685798 8.15840279
-0.00006348 0.00033923 0.00011916
-0.00833131 0.01635466 -0.01441395
7.47683352 16.50805215 -11.73457846
-0.00000253 0.00001101 -0.00008774
-0.01357165 -0.02320556 0.02252485
14.02686896 4.58577061 -0.80140124
0.00021404 -0.00026620 0.00033484
-0.00171491 -0.01084206 -0.00149224
-5.59796593 11.87634566 -1.29762553
-0.00029854 -0.00015343 0.00001436
0.01402469 0.02543316 -0.04434025
8.24125706 11.67377164 4.96640598
0.00025047 -0.00066011 -0.00010574
0.00335612 0.05390506 -0.00841498
19.85139371 -11.17972003 -10.42986725
0.00008777 -0.00008350 -0.00031267
-0.01252698 -0.02680780 0.01640509
19.15717257 -5.90928192 -0.24669737
0.00030113 0.00021845 0.00016338
-0.00888471 0.02214405 -0.02733943
15.99003580 7.67346101 9.59546840
-0.00015752 -0.00023157 -0.00000048
0.00526307 -0.01609594 0.00412620
3.87534979 -14.53845948 16.60591342
-0.00012175 -0.00021694 -0.00003663
0.01981098 -0.01821439 -0.02795402
-3.52814106 -2.48076004 -13.80499163
-0.00048434 -0.00017516 -0.00037476
-0.00731847 -0.00898926 -0.00487032
16.16766315 -6.67355845 -13.32051679
0.00026954 0.00053706 0.00031785
-0.01253861 0.00516124 -0.01367979
10.61112843 -4.34863590 6.40101827
-0.00001709 -0.00022451 0.00039504
0.01628006 -0.01200883 -0.02146702
-19.53073052 0.81253593 25.00368701
0.00001361 -0.00013283 0.00027284
-0.00296682 0.03981917 0.01472498
24.07072778 -0.76956418 -7.50672133
-0.00001307 0.00003114 0.00031813
-0.00634370 -0.00487964 -0.00405154
11.48588771 -9.78477446 -11.23957527
0.00007192 0.00015450 0.00007845
-0.01371876 -0.01066811 -0.00369646
-9.70884794 -9.92887803 16.57469449
-0.00015931 -0.00008095 0.00033585
-0.01237632 -0.01078738 -0.02750324
7.36001531 0.28084248 -28.56621923
-0.00004317 -0.00035236 -0.00007202
-0.00524526 -0.00326050 0.00555963
12.59174145 17.76217435 12.22735299
-0.00000807 0.00002478 0.00002629
-0.01772320 -0.02752643 0.01705683
25.91287774 7.37007067 -11.11327763
-0.00007002 0.00016781 -0.00018685
0.01834565 0.01076767 0.01511315
3.63745367 -29.88393269 -4.87759847
-0.00020429 0.00004102 -0.00021470
0.01280105 -0.00995619 0.01263592
3.42049550 -30.81848068 -2.04454344
-0.00024089 0.00013538 0.00042654
0.00135218 0.00075808 -0.02012327
-9.80907354 3.33873480 -8.73973289
0.00118529 0.00005613 0.00003443
0.00110430 -0.00036262 0.00387139
-11.44330934 2.67661279 -11.14233744
-0.00052651 -0.00016595 -0.00063923
-0.00220414 0.00072135 0.01077866
-37.08227395 3.57940652 3.11317199
0.00081100 -0.00032195 -0.00031107
-0.00054260 -0.02339909 0.01252997
-38.83650679 1.36047702 3.55629410
-0.00107041 0.00065313 0.00040641
-0.01579618 -0.01414858 0.00062571
-8.83573878 -3.80484957 1.58313356
-0.00087609 -0.00025176 0.00033425
-0.00430503 -0.00766567 0.00766075
-6.32932992 -4.67570235 2.64031951
0.00021370 0.00010472 -0.00006544
-0.00224955 0.00137632 0.00566200
3.53529775 -1.28030985 9.06194749
-0.00078413 0.00041658 0.00032183
-0.02012164 0.01847081 0.00876089
2.06670826 1.18144488 8.39243386
-0.00090604 -0.00003924 -0.00091318
-0.00070887 -0.00469723 0.01087774
-30.86791403 -0.45085278 3.73281210
0.00008462 0.00081387 0.00036091
-0.00515370 0.02254868 -0.00575342
-32.99533082 1.60369721 3.08374340
-0.00076676 0.00026179 0.00040275
-0.00365211 -0.00981622 0.00552449
15.52563886 11.93845027 -18.37279543
0.00051853 -0.00079959 -0.00118867
-0.04857710 -0.03824859 -0.02316613
17.86413496 12.32136260 -17.24281333
0.00011155 -0.00029514 -0.00027846
0.01649993 -0.00085952 0.00704826
-2.97858142 6.51536749 5.24105156
0.00017615 -0.00058497 -0.00061021
0.01035706 0.01871164 0.00482788
-3.79864653 5.51471640 2.71179912
-0.00059806 0.00072357 -0.00092927
0.00631780 0.00363570 -0.00689214
5.69947007 16.77663991 -7.92341239
0.00060663 0.00025161 -0.00016090
0.02153281 -0.02066183 -0.05038418
5.93510715 18.79453135 -6.06377288
0.00004354 0.00094495 0.00142192
-0.00873304 -0.00594987 0.00412307
8.63750091 6.51412542 -22.83904357
0.00103597 -0.00044193 0.00047266
0.00857817 -0.00064694 0.00150654
9.70682717 7.46340701 -19.95383928
0.00018683 -0.00016740 0.00055943
-0.00875559 -0.00189077 -0.02584848
19.43766942 20.00245071 -3.92110033
0.00039072 0.00089442 0.00062685
0.00523909 0.01320678 -0.01540933
20.74527974 19.59835998 -6.67887513
0.00093161 0.00005533 -0.00049287
-0.00975377 0.00345126 0.02497299
2.02871515 12.98383053 -20.81418378
0.00033649 -0.00015819 -0.00012275
-0.01619039 0.01229386 0.00272092
0.35164862 15.42379830 -21.89940588
0.00072037 0.00012200 -0.00024448
0.00909589 -0.02235326 0.00840698
9.78423189 -7.19090865 -0.52072562
-0.00013546 -0.00050307 0.00011497
0.01057352 0.03257965 0.00728317
9.24814561 -4.20235174 -0.42138524
-0.00034467 0.00010370 0.00011931
0.01729770 -0.01759897 0.00540798
-16.96997466 -6.40629759 6.42187465
0.00018221 -0.00057415 -0.00033343
-0.01228345 -0.00262043 0.00764950
-17.96581611 -5.46119658 3.74879906
-0.00053326 0.00087625 -0.00019667
-0.01780338 -0.00864829 -0.00645435
-14.31848238 -0.91430065 19.05480363
0.00039399 -0.00025982 -0.00113088
-0.00638617 0.01813206 -0.02024450
-14.97083496 -0.37160597 21.94069213
-0.00046506 0.00067691 -0.00001113
-0.00255165 0.00471146 -0.00364915
-0.21962197 2.95648474 -3.53929077
0.00066586 -0.00033774 -0.00052375
-0.00024120 0.01361919 0.01043697
0.82836999 2.25742022 -5.89006815
-0.00019902 -0.00009202 0.00009661
0.01369120 -0.00838613 -0.01759556
20.26997521 -9.06965658 -5.67055479
-0.00076779 -0.00026836 0.00053639
0.00070687 -0.00395314 0.00624592
22.78267072 -9.59676394 -4.42164706
-0.00112145 0.00050002 0.00111385
0.00468109 -0.00427809 0.00749027
4.48389779 -11.27466464 6.41858226
0.00135478 -0.00027904 0.00084517
0.04233317 -0.00806879 -0.01688212
2.55769891 -11.61654050 8.34631344
-0.00010190 0.00023111 0.00018255
-0.00612475 -0.01412646 0.03877338
-2.61700303 -3.01087174 -20.31126031
-0.00036615 -0.00020138 -0.00099893
-0.02356430 -0.04718116 -0.02271902
-2.59646140 -1.39953020 -17.88746323
-0.00017802 0.00025355 0.00011235
0.00780846 -0.00526105 -0.01678007
1.04590274 5.55362705 -11.16342071
0.00005860 0.00052708 -0.00105483
0.04802002 0.01742519 -0.00611338
-0.80235347 4.18475101 -9.62031304
-0.00040999 -0.00028214 0.00077361
-0.01182877 0.01090000 -0.02428569
-4.04990472 16.34213133 14.76380193
-0.00009323 0.00138699 0.00057714
0.02426582 0.02583107 0.03181683
-6.63855295 15.83241351 13.88702738
0.00003335 0.00074656 -0.00037965
-0.00445421 -0.00016684 0.00018406
-5.60821785 2.03043474 -6.43927747
0.00051059 0.00020100 0.00022214
-0.00330717 -0.00787323 0.00236466
-5.67584839 2.38386948 -9.33551750
0.00013653 -0.00086100 -0.00065418
0.00083714 -0.00662586 -0.01146406
-9.54101187 -1.47551735 -4.15972918
0.00044028 -0.00103512 -0.00078398
0.01182096 0.02335307 -0.00294009
-9.40776568 1.41602649 -3.26109694
0.00016548 -0.00040949 0.00038245
0.01652126 -0.03015360 -0.02905290
2.45209216 29.06226845 4.52930328
0.00026688 -0.00036644 -0.00046199
-0.02044655 0.04226142 -0.03957702
2.71240374 28.59983881 7.41995185
-0.00070473 -0.00120388 0.00029907
0.00055131 -0.00834747 -0.02371752
7.35429168 -10.24347228 -3.13480442
0.00071432 0.00035668 0.00087139
-0.01415671 0.01201425 -0.00580089
8.73973547 -10.97023110 -0.81621171
0.00023407 0.00033624 -0.00053197
0.00630040 -0.00006270 0.00258841
-5.35997176 -0.17187846 9.55899607
-0.00035674 -0.00141377 0.00048788
0.00209417 -0.00715426 -0.00697741
-8.14840816 0.82396607 10.06800207
0.00071309 -0.00031996 -0.00031407
0.01349856 -0.00075325 -0.00351932
19.38306417 9.42470878 7.88184951
-0.00027530 0.00048460 0.00003910
-0.00425826 0.00135836 0.02082769
21.47276458 10.36499701 5.97929117
0.00124145 0.00046534 0.00013978
-0.02494672 -0.01573964 0.00460649
-2.81087651 0.33414143 -22.47632349
-0.00038044 0.00071207 -0.00057504
-0.01594480 0.00829287 -0.04258807
-5.17035166 0.71964419 -24.23045163
-0.00116975 -0.00052196 -0.00052423
-0.03542489 0.00043882 -0.00137112
-12.66727995 9.46064768 10.67902752
-0.00039819 0.00039440 -0.00001335
0.00125186 -0.00008017 0.00006435
-13.41574062 9.49184829 7.98708095
0.00015886 0.00063781 -0.00022230
-0.00750182 -0.00155566 -0.00195776
-13.74987862 4.13950675 -4.80645278
-0.00009225 0.00100559 0.00017055
-0.00611621 0.02233061 0.00754036
-14.94323127 6.88911280 -4.88178227
0.00032203 -0.00028530 -0.00046744
-0.01882275 -0.00120696 -0.00942442
-5.33401921 -16.19486007 21.36000363
0.00017052 0.00026453 0.00004709
0.01043489 0.00996021 -0.01464221
-3.03468862 -15.51585057 19.51950467
0.00034095 0.00036150 0.00018766
-0.01051807 0.00123180 0.01347192
-6.49313364 6.72567638 -6.48407819
-0.00027521 -0.00042519 -0.00048388
0.00282029 -0.00829966 0.00380174
-7.17814914 9.38223953 -5.36794199
-0.00077505 -0.00003974 -0.00000676
-0.01109870 0.00373485 0.00283692
-20.59212369 31.07533651 -0.19500087
-0.00063708 0.00020128 0.00016869
-0.00585881 -0.00409685 -0.00044010
-18.01581345 30.81014934 1.12270573
-0.00060009 -0.00048305 -0.00075228
-0.01342515 -0.01312212 0.00114948
9.22899012 2.94710632 6.77957479
-0.00105982 0.00019156 -0.00093154
0.00652061 0.00307348 0.01495987
9.93792298 5.40133689 8.40497933
0.00007984 -0.00090334 -0.00024455
-0.00304334 -0.01690787 -0.00140461
8.53152624 17.72170725 -12.51958059
-0.00033441 0.00063458 0.00075181
0.01377782 0.01164140 -0.01436512
8.70738592 15.23848333 -11.18532748
-0.00048931 -0.00006445 -0.00017487
-0.00773720 0.00699632 -0.00466415
12.83510955 5.58538901 0.10323155
-0.00088222 -0.00019511 0.00089106
-0.01356082 0.02839226 -0.00480890
14.26377866 3.49243695 0.62512193
-0.00000109 0.00035296 0.00020006
0.01096021 -0.02764757 0.01072051
-4.38650846 11.61258190 -2.80750099
-0.00070800 0.00085293 -0.00068545
-0.02371932 -0.00533085 0.05086177
-5.58042652 10.45197140 -0.18390591
-0.00002476 -0.00058731 -0.00015677
0.00907695 -0.01201917 -0.00721146
7.91400130 13.60793445 4.70846664
-0.00025513 -0.00086597 0.00004374
0.00586972 -0.05155917 0.00815149
10.03223045 11.44843240 4.48995725
0.00056631 -0.00001120 0.00010774
-0.01270681 -0.00255392 0.00275277
18.47947250 -11.56296813 -9.16724663
0.00078851 0.00104859 0.00022693
0.02448960 0.00687633 -0.01809896
20.64198055 -12.86018350 -10.69114828
-0.00048313 0.00104349 0.00017650
-0.00782766 0.01554182 0.00774123
18.85444186 -5.22946453 -1.98665466
-0.00028354 0.00072148 0.00059982
0.01297813 -0.01092161 0.02470860
18.14755103 -7.45460434 -0.33597672
-0.00020055 0.00019720 -0.00022462
-0.00271573 -0.01308777 0.00524174
15.27659059 9.30135520 9.35430963
-0.00062421 0.00000914 -0.00024867
-0.00747613 0.01185627 0.00223564
16.49589193 7.50719358 11.34792455
0.00052614 0.00048810 0.00028838
-0.00433790 0.00398347 -0.00382669
2.67119849 -15.82624871 17.16198210
-0.00009700 0.00050944 0.00134033
-0.00403145 0.00731500 0.00539532
3.63917229 -12.85648594 17.13324217
-0.00075810 -0.00081938 0.00046116
-0.01627660 0.02048540 0.01344986
-4.00408310 -4.29052412 -13.53241312
-0.00018069 -0.00068806 -0.00019099
-0.00594576 0.01387441 -0.00289731
-1.80625565 -2.31712923 -13.33896892
-0.00038739 0.00001902 -0.00011391
0.01739625 0.00385987 0.00584959
16.09351205 -7.52584377 -14.97145944
-0.00016165 0.00065238 0.00037065
-0.00308791 -0.00183084 -0.00649441
17.09781912 -7.73569936 -12.21908811
0.00032282 0.00020208 0.00042650
0.01219209 -0.01010953 0.01571246
9.69090004 -4.58415200 4.83099475
-0.00013142 0.00035003 -0.00013683
-0.01665690 0.00551726 0.00812819
12.24132572 -4.82983803 5.64254399
-0.00093339 0.00048201 0.00025862
-0.00098630 0.01080957 0.01562786
-21.06480882 -0.04280989 24.57405901
0.00028131 0.00110351 -0.00004119
-0.00917883 -0.01032165 0.00058482
-20.06393698 2.46628194 25.77170152
-0.00059597 0.00066805 -0.00093282
0.00545332 -0.02299778 -0.01187550
24.69322272 -2.51148523 -7.26903646
-0.00068221 0.00006841 0.00026106
0.00205282 0.01113497 -0.00153108
24.13365876 -0.42062394 -9.33344258
-0.00002474 -0.00058758 -0.00055908
0.00044319 -0.00211901 0.00359855
12.57505157 -10.15430370 -9.87415335
-0.00044931 -0.00046513 -0.00026712
0.01023882 -0.00382881 0.02699235
12.40252247 -8.50880155 -12.09879990
0.00007244 -0.00012122 0.00035647
0.00666036 0.01628158 -0.01711590
-9.36608760 -9.13334091 18.14336932
-0.00003896 0.00014314 0.00032845
-0.00179949 0.00544147 0.01661846
-11.53394204 -10.24312187 16.52673484
0.00057073 0.00153326 0.00032848
0.02165841 0.00658300 0.00944563
8.50680148 0.63214888 -29.97903481
-0.00048583 -0.00112738 -0.00086656
-0.00111414 0.00792404 0.00435291
5.69360386 0.99270645 -28.88144134
0.00053377 -0.00062016 -0.00064296
0.00592311 -0.00549062 -0.00409331
12.49299412 19.50318918 12.44414411
-0.00025551 0.00051902 0.00030438
-0.00272083 0.03668120 0.00691235
13.98205738 17.47426313 11.15719698
-0.00078470 -0.00072648 -0.00076513
0.02144323 -0.00321322 -0.02394921
27.66414684 7.67000362 -11.71087713
0.00090820 0.00032142 0.00059020
-0.00651292 -0.00267349 0.00183630
26.03921749 7.56244163 -9.24467958
-0.00012890 -0.00089010 0.00007848
-0.00390826 -0.00088900 -0.01302423
-7.20238146 4.59966031 6.70048363
0.00028711 -0.00004004 -0.00002394
-0.00119209 -0.00761950 -0.00506950
-9.00619487 8.75822411 3.86860740
0.00023469 -0.00005589 0.00003446
-0.00230245 -0.00925728 -0.00259351
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07794921
0.29786577
396.89120351
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3947698511 (a.u.)
total exchange computation time: 3.1074419022 s
-154.2002756391
-931.38068162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3941783825 (a.u.)
total exchange computation time: 3.1059498787 s
-154.2059821516
Anderson extrapolation: theta=1.3870683049 (1.3870683049)
-931.38091783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3932698279 (a.u.)
total exchange computation time: 3.1052680016 s
-154.2144045736
Anderson extrapolation: theta=0.0682259118 (0.0682259118)
-931.38106853
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3931429392 (a.u.)
total exchange computation time: 3.1089940071 s
-154.2153905425
Anderson extrapolation: theta=2.2768411095 (2.0000000000)
-931.38107738
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3928792628 (a.u.)
total exchange computation time: 3.1078231335 s
-154.2173511179
Anderson extrapolation: theta=0.3848700305 (0.3848700305)
-931.38108937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3927902393 (a.u.)
total exchange computation time: 3.1052918434 s
-154.2179363290
Anderson extrapolation: theta=1.0607497047 (1.0607497047)
-931.38109288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3927251599 (a.u.)
total exchange computation time: 3.1050410271 s
-154.2182777298
Anderson extrapolation: theta=0.4924421434 (0.4924421434)
-931.38109579
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3927221973 (a.u.)
total exchange computation time: 3.1075849533 s
-154.2181872392
Anderson extrapolation: theta=0.8160801423 (0.8160801423)
-931.38109699
73.025625 201.690985 -294.459633
547.656946 1079.435356 -416.098846
620.682572 1281.126341 -710.558479
1591.045225
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3927412750 (a.u.)
total exchange computation time: 3.1067748070 s
679.15131965
-1084.38583092
89.75841315
-388.65167147
-174.86058688
78.61424506
551.60419304
0.00000000
-931.38109774
3.76472169 -31.43152164 -3.82616231
-0.00036533 0.00041031 -0.00007244
-0.00626525 0.01185992 0.00738340
-11.14336289 2.25060126 -9.31975577
-0.00012764 -0.00014135 0.00000813
0.00096259 0.00017811 -0.01716941
-37.12638756 1.86219505 3.92455637
0.00025489 0.00016727 0.00018462
0.02669182 0.03911941 -0.01703890
-7.74467432 -3.59133230 3.06764153
0.00008241 -0.00013761 -0.00020972
0.00475960 -0.00207443 -0.01593148
2.21800301 -0.10155472 9.71662422
0.00033781 0.00006885 -0.00001919
0.01591426 -0.00798132 -0.02735753
-31.23618069 1.39730732 3.51501844
-0.00004919 -0.00019649 0.00000095
0.00533983 -0.00312492 -0.00316426
16.39841533 13.28963256 -17.71825797
0.00009779 -0.00009144 0.00015038
0.03139532 0.03799398 0.01306921
-3.22072759 4.97085281 4.33609434
-0.00006753 -0.00012672 -0.00039470
-0.01577088 -0.02969948 -0.01241308
4.83759079 17.36079303 -6.52434239
-0.00012076 -0.00005947 -0.00023152
-0.00570715 0.03041630 0.03873896
8.27852388 7.16539163 -21.15176279
0.00004467 0.00054841 -0.00023158
-0.00345291 0.00451095 0.02259724
19.64123149 18.86452608 -5.36661451
0.00053030 -0.00017459 -0.00000345
0.00487692 -0.00448123 -0.00768320
2.04302931 14.70503917 -21.45030497
-0.00020480 -0.00010913 0.00011759
0.00821046 0.00570376 -0.00597643
10.49594401 -5.53702213 0.12501952
0.00004999 -0.00004935 -0.00019751
-0.02192959 -0.00459165 -0.01156778
-16.58682616 -5.53076357 4.89203314
0.00023529 -0.00008592 -0.00014894
0.02551608 0.00828816 -0.00325824
-14.26185051 -1.53037197 20.73367745
0.00013908 -0.00008344 0.00011546
0.00287835 -0.00964071 0.01913173
0.95758613 3.66287474 -4.75228745
-0.00043427 0.00005557 -0.00010002
-0.01178478 -0.00613966 0.00692045
20.98336176 -9.61792459 -4.07171658
-0.00000653 0.00018247 -0.00050044
-0.02417772 0.00125132 -0.01373545
2.82510270 -10.83062218 6.79333179
-0.00030409 0.00002628 -0.00019980
-0.02204617 0.02069152 -0.02001483
-1.75661859 -1.72369710 -19.51699857
-0.00016484 -0.00019559 0.00038532
0.00834979 0.04477268 0.03243243
-0.62499192 5.05571353 -11.28339148
0.00015459 0.00036426 -0.00005669
-0.04958998 -0.03147621 0.03571407
-4.89478188 15.48686311 13.48430115
-0.00000751 -0.00009979 0.00007108
-0.01318276 -0.02060072 -0.00548676
-4.95928248 3.04652590 -7.79845437
0.00001653 0.00013435 -0.00051144
0.00185015 0.01469448 0.01055063
-8.65878128 0.13961790 -4.50908249
0.00006033 -0.00013149 0.00029888
-0.02449368 0.00710178 0.03649068
2.92765216 27.89135416 5.70814393
0.00009302 -0.00007587 -0.00006873
0.01914289 -0.04394023 0.06196780
8.71542757 -9.64826899 -2.09710991
-0.00017742 0.00017204 -0.00008066
0.00870076 -0.01739545 0.01522180
-6.39101066 1.34703335 9.81205448
0.00024575 0.00032995 0.00038703
-0.01382886 -0.00000725 0.00508841
19.72794645 9.60837648 6.12533996
-0.00011579 -0.00028172 -0.00046379
0.04181944 0.02583554 -0.01945633
-3.40506672 0.66874605 -24.31595014
0.00015206 -0.00015566 0.00012445
0.04111668 -0.00999542 0.04544162
-13.61622361 8.43224800 9.49471662
-0.00009114 -0.00004391 -0.00003717
0.00383565 0.00582633 -0.00917847
-13.87650104 5.78661033 -3.93405332
0.00021193 -0.00019651 0.00001324
0.02719427 -0.02155058 0.00736079
-3.80578283 -15.11659938 21.15460837
-0.00003467 0.00010145 0.00015423
0.00515594 -0.01076377 -0.00183283
-6.24736444 8.51342315 -6.64030401
-0.00028832 0.00024994 0.00042637
0.01415063 -0.00315060 -0.01729565
-19.78919584 30.24240163 1.20947563
0.00012908 0.00022937 0.00024150
0.01479725 0.01641852 -0.00603531
10.34487818 3.58200945 8.16013453
-0.00006862 0.00034494 0.00010989
-0.01169320 0.00588359 -0.02163672
7.47674317 16.50812779 -11.73580772
-0.00001012 -0.00000068 -0.00007625
-0.01594816 -0.02224205 0.02217071
14.03007298 4.58173583 -0.79638434
0.00021144 -0.00026991 0.00033449
-0.00841706 -0.00357732 0.00011566
-5.60238989 11.87414232 -1.29758110
-0.00029140 -0.00014047 -0.00000817
0.01371922 0.02496009 -0.04328833
8.24502713 11.66407795 4.96478741
0.00025241 -0.00063263 -0.00011004
0.00415411 0.05294359 -0.00828525
19.85266190 -11.18107589 -10.43449395
0.00008080 -0.00009501 -0.00030425
-0.01458478 -0.01797057 0.01632518
19.16165521 -5.90591976 -0.24435219
0.00029614 0.00022925 0.00014947
-0.01050489 0.01983743 -0.02672612
15.98769329 7.66992541 9.59547712
-0.00015501 -0.00023892 0.00000224
0.00450958 -0.01249788 0.00646624
3.87359988 -14.54178388 16.60525616
-0.00011173 -0.00022677 -0.00005093
0.01917438 -0.02001051 -0.02767096
-3.53543441 -2.48342216 -13.81063179
-0.00048774 -0.00018016 -0.00037701
-0.00591499 -0.01044640 -0.00386779
16.17165788 -6.66548262 -13.31580179
0.00026343 0.00053932 0.00031130
-0.01120742 0.00363893 -0.01178409
10.61093493 -4.35204986 6.40686114
-0.00001057 -0.00023030 0.00038379
0.00905933 -0.01050130 -0.02231573
-19.53053785 0.81069706 25.00783643
0.00001297 -0.00011101 0.00028093
0.00048812 0.04502638 0.01672706
24.07050730 -0.76911589 -7.50196507
-0.00001647 0.00002918 0.00031466
-0.00688033 -0.00272612 -0.00943330
11.48691356 -9.78249805 -11.23841274
0.00006397 0.00014877 0.00007613
-0.01718929 -0.01164071 -0.00533697
-9.71128534 -9.93013382 16.57962618
-0.00016385 -0.00008592 0.00032223
-0.00529029 -0.00854519 -0.02548336
7.35934754 0.27554456 -28.56727809
-0.00004480 -0.00035435 -0.00006945
-0.00110013 -0.00447595 0.00444929
12.59155206 17.76243988 12.22781310
-0.00001732 0.00001198 0.00003536
-0.01823978 -0.02225299 0.01822802
25.91189827 7.37262930 -11.11602201
-0.00005948 0.00017349 -0.00017907
0.02261530 0.01132304 0.01511823
3.63478156 -29.88362253 -4.88043176
-0.00015265 0.00000329 -0.00016420
0.01247650 -0.00850972 0.01208453
3.41692359 -30.81642671 -2.03876193
-0.00023460 0.00013855 0.00033995
0.00172752 0.00079314 -0.02226511
-9.79126041 3.33956560 -8.73909782
0.00117682 0.00004435 0.00004379
-0.00524706 -0.00540520 0.00070909
-11.45127446 2.67414561 -11.15159556
-0.00053309 -0.00016379 -0.00058839
-0.00101982 0.00033511 0.01410612
-37.07012560 3.57386026 3.10888988
0.00080822 -0.00041438 -0.00026089
-0.00081530 -0.02184650 0.01203193
-38.85304694 1.36984043 3.56240938
-0.00111961 0.00059959 0.00041219
-0.00828754 -0.01205957 0.00220561
-8.84901202 -3.80886085 1.58838212
-0.00089091 -0.00028370 0.00036656
-0.00295204 -0.00796921 0.00815487
-6.32619339 -4.67408931 2.63951137
0.00020413 0.00010955 -0.00004359
-0.00243146 0.00098464 0.00503599
3.52291914 -1.27349521 9.06704345
-0.00085541 0.00048280 0.00035194
-0.01477029 0.01394456 0.00597885
2.05309587 1.18071228 8.37906942
-0.00090755 -0.00006494 -0.00086175
-0.00002994 -0.00788151 0.01430162
-30.86680261 -0.43795378 3.73804940
0.00006451 0.00089464 0.00033813
-0.00469044 0.01698790 -0.00539665
-33.00694410 1.60732332 3.08995398
-0.00077142 0.00021932 0.00042771
0.00137066 -0.01097629 0.00669441
15.53192820 11.92528435 -18.39133538
0.00032956 -0.00094198 -0.00127647
-0.04392374 -0.03145144 -0.01980968
17.86631389 12.31690922 -17.24677429
0.00017927 -0.00029838 -0.00024880
0.01664681 -0.00072740 0.00747046
-2.97562179 6.50716631 5.23204635
0.00021974 -0.00050197 -0.00058593
0.01098179 0.02191538 0.00705603
-3.80742387 5.52568137 2.69764884
-0.00056746 0.00073367 -0.00094432
0.00866153 0.00130808 -0.00047547
5.70922938 16.77978089 -7.92736978
0.00069290 0.00017105 -0.00036109
0.02069833 -0.01877307 -0.04761048
5.93549260 18.80852324 -6.04231774
-0.00000147 0.00090667 0.00143196
-0.01329932 -0.01278581 0.00078963
8.65330340 6.50747668 -22.83190756
0.00106998 -0.00044457 0.00047759
0.00806942 -0.00064576 0.00090616
9.70936129 7.46083812 -19.94623999
0.00014671 -0.00017528 0.00045101
-0.01088393 -0.00196786 -0.02722042
19.44369072 20.01627171 -3.91216982
0.00041348 0.00093896 0.00055234
0.00590368 0.00859408 -0.02106176
20.75895505 19.59929573 -6.68550291
0.00088700 0.00006650 -0.00038519
-0.01208651 0.00201691 0.02773413
2.03326640 12.98183439 -20.81594163
0.00026921 -0.00010847 -0.00011124
-0.01674523 0.01204572 0.00291386
0.36273294 15.42494337 -21.90281554
0.00074973 0.00003254 -0.00021133
0.00527545 -0.02144134 0.00782362
9.78252405 -7.19745629 -0.51877786
-0.00009134 -0.00036658 0.00014542
0.01102370 0.03422903 0.00761902
9.24350560 -4.20133551 -0.41942981
-0.00027245 0.00003005 0.00014170
0.01805248 -0.01845441 0.00555180
-16.96761785 -6.41499017 6.41710759
0.00013205 -0.00058368 -0.00030360
-0.01227209 -0.00204311 0.00695292
-17.97436063 -5.44831788 3.74565126
-0.00059666 0.00084027 -0.00021521
-0.01323145 -0.00896279 -0.00262005
-14.31276821 -0.91764227 19.03722010
0.00036841 -0.00019185 -0.00119522
-0.00613724 0.01513981 -0.01125237
-14.97788907 -0.36130802 21.94041333
-0.00047147 0.00068967 -0.00003312
-0.00058437 0.00153681 -0.00711294
-0.20964150 2.95183597 -3.54682714
0.00065646 -0.00028616 -0.00047170
-0.00435903 0.01163173 0.01503831
0.82580428 2.25578290 -5.88915812
-0.00014231 -0.00012583 0.00002363
0.01406631 -0.00816193 -0.01813117
20.25847997 -9.07380312 -5.66231751
-0.00076622 -0.00028100 0.00055218
0.00006440 -0.00223234 0.00148144
22.76599241 -9.58939467 -4.40470984
-0.00108247 0.00048384 0.00113806
0.01439877 -0.00364416 0.00436332
4.50551665 -11.27909755 6.43074242
0.00150035 -0.00030468 0.00078197
0.02892473 -0.00447972 -0.01405267
2.55598276 -11.61350671 8.35023977
-0.00012685 0.00017586 0.00033668
-0.00608911 -0.01291810 0.03667693
-2.62321730 -3.01533820 -20.32694038
-0.00045487 -0.00038101 -0.00108281
-0.01986429 -0.04074756 -0.01834257
-2.59889249 -1.39588814 -17.88629218
-0.00014828 0.00023068 0.00004501
0.00675314 -0.00593589 -0.01618062
1.04825318 5.56206724 -11.17943043
0.00025447 0.00059706 -0.00107727
0.04786059 0.01683055 -0.00487395
-0.80886586 4.18085289 -9.60945303
-0.00045404 -0.00023030 0.00066249
-0.00973224 0.01447875 -0.03010809
-4.05055958 16.36372767 14.77343392
-0.00000395 0.00148240 0.00069135
0.01943822 0.02087374 0.02409302
-6.63818913 15.84360674 13.88133833
0.00001496 0.00074543 -0.00037949
-0.00454911 -0.00038260 -0.00010856
-5.60066030 2.03320849 -6.43587291
0.00049900 0.00017197 0.00022704
-0.00236912 -0.00633773 0.00003303
-5.67377475 2.37075137 -9.34568149
0.00014200 -0.00088582 -0.00069575
0.00183997 -0.00551925 -0.00888321
-9.53404537 -1.49032848 -4.17157903
0.00048996 -0.00093435 -0.00079518
0.01249442 0.02597234 -0.00254047
-9.40477717 1.40896019 -3.25625044
0.00023089 -0.00053207 0.00026556
0.01549768 -0.02985346 -0.02816540
2.45546884 29.05806693 4.52116069
0.00018386 -0.00019476 -0.00062032
-0.02019552 0.04177284 -0.03792727
2.70184974 28.58152483 7.42371110
-0.00070241 -0.00123572 0.00020131
0.00058367 -0.00723955 -0.02413509
7.36457264 -10.23775397 -3.12191127
0.00064043 0.00039954 0.00083459
-0.02201103 0.00896746 -0.01221382
8.74343956 -10.96518947 -0.82411197
0.00026064 0.00033163 -0.00051651
0.00670893 -0.00219400 0.00497856
-5.36525864 -0.19330425 9.56610048
-0.00035263 -0.00143021 0.00046017
-0.00008586 -0.00089205 -0.00658763
-8.13729811 0.81914365 10.06318321
0.00076120 -0.00032211 -0.00032715
0.01005081 -0.00030321 -0.00288517
19.37880420 9.43201946 7.88307424
-0.00029168 0.00049069 0.00011611
-0.00375910 0.00162310 0.01686998
21.49062184 10.37149479 5.98152907
0.00112524 0.00039469 0.00015876
-0.03193885 -0.01884591 0.00468271
-2.81707178 0.34507659 -22.48625406
-0.00044298 0.00074369 -0.00073994
-0.01466764 0.00718445 -0.03813417
-5.18898339 0.71182820 -24.23835707
-0.00128940 -0.00052128 -0.00053093
-0.02314852 -0.00010714 -0.00191124
-12.67321448 9.46656121 10.67882930
-0.00039381 0.00039270 -0.00001348
0.00089513 -0.00075351 -0.00013224
-13.41358766 9.50136770 7.98368648
0.00012695 0.00062650 -0.00022478
-0.00811864 -0.00397878 0.00074316
-13.75144972 4.15527485 -4.80366348
-0.00011489 0.00108159 0.00019442
-0.00497065 0.01487284 0.00414441
-14.93897754 6.88479629 -4.88908266
0.00024710 -0.00029050 -0.00050330
-0.01785858 -0.00133940 -0.00813145
-5.33114172 -16.19058693 21.36026123
0.00021014 0.00030287 -0.00001274
0.00896115 0.00880968 -0.01464422
-3.02989668 -15.51039032 19.52273242
0.00029726 0.00036643 0.00024315
-0.01086827 0.00117878 0.01368822
-6.49717533 6.71904424 -6.49121993
-0.00026281 -0.00044906 -0.00046867
0.00324834 -0.00338562 0.00364486
-7.19011501 9.38175781 -5.36795639
-0.00082231 -0.00002400 0.00000705
-0.01203676 0.00397361 0.00391856
-20.60185943 31.07823013 -0.19248405
-0.00065829 0.00018158 0.00017202
-0.00452109 -0.00554561 0.00207392
-18.02522612 30.80250150 1.11145672
-0.00064304 -0.00053261 -0.00074772
-0.00760310 -0.01113584 0.00108374
9.21329258 2.95007396 6.76606004
-0.00102382 0.00020838 -0.00085873
0.01110184 0.00515591 0.02068086
9.93902727 5.38726872 8.40126803
0.00006455 -0.00095630 -0.00024763
-0.00444100 -0.00901832 -0.00010457
8.52693222 17.73158261 -12.50874358
-0.00027697 0.00068226 0.00069317
0.01434096 0.01169897 -0.01434067
8.69980920 15.23773104 -11.18809341
-0.00051729 -0.00003813 -0.00019307
-0.00595772 0.00588577 -0.00424756
12.82146072 5.58333234 0.11645004
-0.00092541 -0.00008894 0.00086221
-0.00758119 0.02357802 -0.00931338
14.26409823 3.49688410 0.62845133
0.00004550 0.00023510 0.00024952
0.01184293 -0.03004510 0.01348918
-4.39785523 11.62521243 -2.81622423
-0.00080465 0.00082932 -0.00047630
-0.02359331 -0.00622449 0.05152161
-5.58051979 10.44279350 -0.18647845
0.00001304 -0.00063314 -0.00018970
0.00942482 -0.01041854 -0.00890788
7.91035426 13.59336498 4.70937250
-0.00023092 -0.00107418 0.00007651
0.00598212 -0.05035931 0.00788859
10.04033580 11.44818612 4.49165765
0.00051263 -0.00002179 0.00011938
-0.01357004 -0.00262994 0.00294838
18.49205066 -11.54702852 -9.16439731
0.00088471 0.00107519 0.00015543
0.02259962 0.00614154 -0.01689892
20.63449373 -12.84405492 -10.68826351
-0.00050722 0.00109067 0.00020548
-0.00396555 0.00755387 0.00644432
18.85058648 -5.21897696 -1.97690019
-0.00023035 0.00067773 0.00069824
0.01305979 -0.01049391 0.02346911
18.14445956 -7.45204746 -0.33918539
-0.00020892 0.00014735 -0.00020228
-0.00137939 -0.01131392 0.00569576
15.26699838 9.30185566 9.35064805
-0.00065143 0.00005024 -0.00023859
-0.00584898 0.00826097 0.00269913
16.50365115 7.51463721 11.35213303
0.00050660 0.00050464 0.00026708
-0.00522645 0.00410998 -0.00660202
2.66961996 -15.81838295 17.18225233
-0.00011260 0.00053693 0.00136058
-0.00360522 0.00614313 0.00452082
3.62730209 -12.86814884 17.14057171
-0.00082333 -0.00072962 0.00051669
-0.01565754 0.02345104 0.01373098
-4.00697570 -4.30041992 -13.53536675
-0.00020470 -0.00062744 -0.00020348
-0.00580576 0.01580205 -0.00321501
-1.81153342 -2.31672562 -13.34049832
-0.00032008 0.00003474 -0.00009103
0.01555165 0.00383436 0.00534909
16.09099269 -7.51611413 -14.96609863
-0.00017398 0.00064391 0.00034337
-0.00294690 -0.00231620 -0.00686392
17.10303509 -7.73297789 -12.21220908
0.00036946 0.00016407 0.00048693
0.01063582 -0.00850053 0.01386603
9.68841839 -4.57873243 4.82919137
-0.00019706 0.00037316 -0.00009770
-0.01547721 0.00580073 0.01102709
12.22729466 -4.82227665 5.64690220
-0.00092453 0.00052240 0.00031794
0.00532349 0.00896351 0.01340688
-21.06087036 -0.02657348 24.57345911
0.00023379 0.00105361 -0.00004253
-0.01408426 -0.01410525 -0.00124218
-20.07270949 2.47559796 25.75734525
-0.00057095 0.00057144 -0.00098126
0.00679519 -0.02429304 -0.01183557
24.68305250 -2.51011791 -7.26516743
-0.00067192 0.00011011 0.00025591
0.00298101 0.00928071 -0.00099151
24.13330125 -0.42950254 -9.34171845
-0.00002353 -0.00059666 -0.00053510
0.00014874 -0.00232453 0.00813813
12.56862561 -10.16139795 -9.87733297
-0.00040300 -0.00048231 -0.00015164
0.01243384 -0.00458139 0.02953335
12.40381318 -8.51012088 -12.09397735
0.00010210 -0.00005142 0.00028462
0.00785799 0.01788346 -0.01805433
-9.36672711 -9.13102714 18.14880526
-0.00004565 0.00016426 0.00039356
-0.00147493 0.00490085 0.01525705
-11.52471735 -10.21992131 16.53195151
0.00064389 0.00155673 0.00036571
0.01415250 0.00490949 0.00877792
8.49947990 0.61548106 -29.99189988
-0.00049052 -0.00109559 -0.00084566
-0.00118169 0.00763418 0.00588134
5.70179196 0.98323587 -28.89121115
0.00054978 -0.00063965 -0.00065991
0.00191152 -0.00405092 -0.00420250
12.48907817 19.51209854 12.44892162
-0.00026444 0.00065646 0.00032988
-0.00165270 0.03059294 0.00557262
13.97094403 17.46326741 11.14498620
-0.00069809 -0.00073771 -0.00086259
0.02095331 -0.00227984 -0.02375699
27.67757024 7.67474292 -11.70196784
0.00087393 0.00030933 0.00059846
-0.01026379 -0.00324231 0.00220403
26.03716416 7.54906291 -9.24390154
-0.00014588 -0.00089341 0.00002375
-0.00440192 -0.00073006 -0.01376323
-7.19807808 4.59903920 6.70011089
0.00028669 -0.00004277 -0.00002574
-0.00111275 -0.00762888 -0.00499480
-9.00267846 8.75736968 3.86911971
0.00023416 -0.00005803 0.00003384
-0.00230184 -0.00918631 -0.00269572
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07848907
0.30260867
403.21088668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3822414391 (a.u.)
total exchange computation time: 3.1483080387 s
-154.1482037145
-931.38414431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3818567092 (a.u.)
total exchange computation time: 3.1536030769 s
-154.1523399853
Anderson extrapolation: theta=1.3777075036 (1.3777075036)
-931.38435588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3812278706 (a.u.)
total exchange computation time: 3.1495299339 s
-154.1586814768
Anderson extrapolation: theta=0.0658555719 (0.0658555719)
-931.38448909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3811099408 (a.u.)
total exchange computation time: 3.1546351910 s
-154.1596313806
Anderson extrapolation: theta=2.3262923912 (2.0000000000)
-931.38449655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3808534725 (a.u.)
total exchange computation time: 3.1478559971 s
-154.1616097552
Anderson extrapolation: theta=0.4267117978 (0.4267117978)
-931.38450659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3807491924 (a.u.)
total exchange computation time: 3.1483662128 s
-154.1623393707
Anderson extrapolation: theta=1.0297617068 (1.0297617068)
-931.38450957
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3806665983 (a.u.)
total exchange computation time: 3.1527929306 s
-154.1628389831
Anderson extrapolation: theta=0.5312686056 (0.5312686056)
-931.38451175
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3806491107 (a.u.)
total exchange computation time: 3.1514890194 s
-154.1628581183
Anderson extrapolation: theta=0.7512210695 (0.7512210695)
-931.38451258
73.041486 157.323843 -294.529446
547.594321 1079.472976 -416.111702
620.635807 1236.796819 -710.641148
1555.591854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1638723634
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3806560675 (a.u.)
total exchange computation time: 3.1486849785 s
678.96180966
-1083.96958429
89.76947155
-388.93672510
-174.82882873
78.38411993
551.60419304
0.00000000
-931.38451297
3.75921759 -31.42532128 -3.82722042
-0.00036851 0.00041589 -0.00006793
-0.00609038 0.00983822 0.01015599
-11.14527371 2.24848170 -9.31969997
-0.00012591 -0.00014009 -0.00000073
0.00574877 0.00472709 -0.01731600
-37.12246130 1.86485493 3.92725997
0.00026675 0.00018632 0.00017569
0.01944091 0.03498286 -0.01767499
-7.74341979 -3.59340452 3.06443432
0.00008451 -0.00013846 -0.00021783
0.00339402 -0.00123206 -0.01560607
2.22313152 -0.10055279 9.71623087
0.00034425 0.00006680 -0.00003318
0.00914983 0.00000449 -0.02703910
-31.23689799 1.39434796 3.51502041
-0.00004788 -0.00019622 -0.00000108
-0.00022412 0.00416391 -0.00470731
16.40000329 13.28840750 -17.71595187
0.00011253 -0.00007423 0.00015605
0.02591827 0.02892747 0.00899245
-3.22180140 4.96883743 4.33012600
-0.00007632 -0.00014205 -0.00040305
-0.01838528 -0.02988860 -0.02006172
4.83575741 17.36001824 -6.52766571
-0.00012220 -0.00004295 -0.00021197
0.00011467 0.03382659 0.03726539
8.27918060 7.17363522 -21.15514938
0.00004347 0.00055075 -0.00021963
-0.00122950 0.00458306 0.02390305
19.64920483 18.86189001 -5.36669587
0.00053312 -0.00017545 -0.00000666
0.00607564 0.00110400 -0.00481570
2.03998898 14.70342419 -21.44856413
-0.00019936 -0.00010639 0.00011471
0.01294825 0.00496862 -0.00524661
10.49660934 -5.53778008 0.12201220
0.00003857 -0.00005178 -0.00020348
-0.02249104 -0.00485606 -0.01161710
-16.58319836 -5.53202036 4.88978641
0.00024712 -0.00008175 -0.00015139
0.02049613 0.00791469 -0.00625208
-14.25975325 -1.53166070 20.73548316
0.00014001 -0.00008681 0.00012379
0.00075710 -0.00348781 0.01325379
0.95102668 3.66368464 -4.75376106
-0.00043938 0.00005279 -0.00009754
-0.00809263 -0.00466232 0.00273779
20.98317051 -9.61518267 -4.07927620
-0.00002129 0.00018249 -0.00050548
-0.03320922 -0.00117997 -0.00587092
2.82045634 -10.83014812 6.79025766
-0.00031202 0.00003551 -0.00020987
-0.00881498 0.01519957 -0.01917850
-1.75905893 -1.72645823 -19.51109360
-0.00016130 -0.00017440 0.00040038
0.00539087 0.03761736 0.02609649
-0.62286437 5.06105602 -11.28410405
0.00012911 0.00034760 -0.00003736
-0.04948352 -0.03330705 0.03946922
-4.89494532 15.48528678 13.48534617
-0.00001293 -0.00010891 0.00007052
-0.00789681 -0.01487542 0.00330693
-4.95902734 3.04859788 -7.80608526
0.00001695 0.00014125 -0.00050605
-0.00022307 0.01211000 0.01039301
-8.65797077 0.13767288 -4.50445848
0.00004804 -0.00012861 0.00031715
-0.02328973 0.00411032 0.03455404
2.92912127 27.89004664 5.70735195
0.00010262 -0.00009814 -0.00003789
0.01821053 -0.04268530 0.05799385
8.71279984 -9.64575556 -2.09826116
-0.00017106 0.00016438 -0.00007184
0.01603746 -0.01237443 0.01907418
-6.38737783 1.35198254 9.81787956
0.00024015 0.00032821 0.00038928
-0.00791660 -0.00675333 0.00365840
19.72637092 9.60425027 6.11830805
-0.00009292 -0.00026786 -0.00047262
0.04711662 0.02809587 -0.01487995
-3.40262716 0.66637253 -24.31390813
0.00016953 -0.00016043 0.00014639
0.02680941 -0.00855173 0.03988002
-13.61757586 8.43161184 9.49412360
-0.00008898 -0.00004011 -0.00004242
0.00455599 0.00896447 -0.01121568
-13.87321717 5.78357959 -3.93382629
0.00022528 -0.00020529 0.00001760
0.02472887 -0.01261135 0.00960142
-3.80628295 -15.11511909 21.15691474
-0.00003157 0.00009627 0.00015332
0.00690413 -0.00938582 -0.00170642
-6.25163472 8.51716015 -6.63397524
-0.00028093 0.00024702 0.00041730
0.01460648 -0.00822467 -0.01794665
-19.78720250 30.24590556 1.21307479
0.00013470 0.00023762 0.00023780
0.00704793 0.01567060 -0.00835275
10.34380370 3.58720631 8.16169935
-0.00007527 0.00034517 0.00009708
-0.01416033 -0.00501412 -0.02814044
7.47652978 16.50803184 -11.73686594
-0.00001885 -0.00001162 -0.00006507
-0.01797157 -0.02032758 0.02128994
14.03321207 4.57767346 -0.79136656
0.00020544 -0.00027005 0.00033509
-0.01489272 0.00302613 0.00222485
-5.60670801 11.87213154 -1.29787062
-0.00028456 -0.00012781 -0.00002991
0.01288553 0.02426373 -0.04124589
8.24882925 11.65479270 4.96310492
0.00025472 -0.00060589 -0.00011421
0.00483481 0.05105585 -0.00795169
19.85381757 -11.18257038 -10.43899470
0.00007279 -0.00010174 -0.00029599
-0.01654743 -0.00817780 0.01580208
19.16605681 -5.90240456 -0.24221319
0.00029032 0.00023873 0.00013606
-0.01212132 0.01704037 -0.02542442
15.98538557 7.66629339 9.59553573
-0.00015293 -0.00024434 0.00000609
0.00357689 -0.00857329 0.00849194
3.87199790 -14.54526265 16.60438542
-0.00010211 -0.00023723 -0.00006497
0.01825166 -0.02066453 -0.02690552
-3.54277339 -2.48616488 -13.81630179
-0.00049026 -0.00018578 -0.00037870
-0.00386959 -0.01139738 -0.00272843
16.17556615 -6.65737871 -13.31117769
0.00025807 0.00054069 0.00030580
-0.00965992 0.00165584 -0.00960024
10.61081132 -4.35554483 6.41253184
-0.00000786 -0.00023527 0.00037221
0.00147609 -0.00883052 -0.02268696
-19.53034140 0.80920556 25.01211488
0.00001404 -0.00008675 0.00028994
0.00365918 0.04931319 0.01831137
24.07023375 -0.76868864 -7.49728158
-0.00002017 0.00002837 0.00030851
-0.00749728 -0.00043534 -0.01449340
11.48780680 -9.78031145 -11.23729137
0.00005452 0.00014263 0.00007307
-0.01955080 -0.01221201 -0.00656340
-9.71376355 -9.93145553 16.58436127
-0.00016452 -0.00008966 0.00030980
0.00271779 -0.00603112 -0.02282986
7.35867128 0.27021210 -28.56830263
-0.00004428 -0.00035698 -0.00006742
0.00312650 -0.00576296 0.00342583
12.59122195 17.76253374 12.22841384
-0.00002659 0.00000204 0.00004487
-0.01782034 -0.01640949 0.01873365
25.91109327 7.37527528 -11.11864976
-0.00004687 0.00017943 -0.00017132
0.02644142 0.01176818 0.01501811
3.63287408 -29.88383389 -4.88252444
-0.00010240 -0.00002780 -0.00011659
0.01212359 -0.00671122 0.01121888
3.41345756 -30.81432412 -2.03434496
-0.00022690 0.00014205 0.00024559
0.00204134 0.00091766 -0.02392654
-9.77376886 3.34006515 -8.73841929
0.00114353 0.00001278 0.00004080
-0.01104801 -0.01004547 -0.00217190
-11.45930208 2.67169897 -11.15998918
-0.00053497 -0.00016299 -0.00052507
0.00009846 0.00005640 0.01689074
-37.05802722 3.56697512 3.10534516
0.00080436 -0.00049922 -0.00021340
-0.00107720 -0.01968084 0.01121590
-38.87009500 1.37846475 3.56865984
-0.00113817 0.00055440 0.00042422
-0.00080108 -0.01006308 0.00368252
-8.86246619 -3.81336053 1.59413045
-0.00090022 -0.00031688 0.00040075
-0.00160469 -0.00827193 0.00857934
-6.32320588 -4.67241592 2.63901188
0.00019404 0.00011254 -0.00002432
-0.00251031 0.00047816 0.00439594
3.50963532 -1.26582597 9.07250584
-0.00090324 0.00052892 0.00036985
-0.00864072 0.00863235 0.00278816
2.03948164 1.17949666 8.36658148
-0.00090625 -0.00010289 -0.00079701
0.00066737 -0.01069366 0.01738602
-30.86597865 -0.42401365 3.74295596
0.00004674 0.00095114 0.00031714
-0.00400926 0.01067205 -0.00487869
-33.01847338 1.61027674 3.09657483
-0.00075606 0.00017222 0.00045724
0.00614974 -0.01207818 0.00775618
15.53552562 11.91019089 -18.41108938
0.00016225 -0.00105189 -0.00134829
-0.03797688 -0.02235167 -0.01534719
17.86951304 12.31241125 -17.25027741
0.00024618 -0.00030053 -0.00021795
0.01610572 -0.00032367 0.00763228
-2.97198913 6.50030825 5.22347357
0.00026566 -0.00040748 -0.00055350
0.01149335 0.02434031 0.00882258
-3.81567038 5.53672651 2.68346941
-0.00052754 0.00073437 -0.00093397
0.01088181 -0.00096589 0.00554400
5.72025722 16.78177134 -7.93424504
0.00077331 0.00009986 -0.00054610
0.01866075 -0.01607554 -0.04295289
5.93506298 18.82173154 -6.02081420
-0.00006375 0.00084196 0.00142855
-0.01718621 -0.01889185 -0.00245919
8.66960043 6.50078836 -22.82471602
0.00110167 -0.00044701 0.00048049
0.00744089 -0.00055041 0.00051642
9.71122838 7.45814862 -19.94030892
0.00009878 -0.00018319 0.00033793
-0.01257834 -0.00190469 -0.02813609
19.45007383 20.03061941 -3.90453011
0.00043863 0.00096531 0.00045618
0.00640741 0.00430516 -0.02601151
20.77188963 19.60035509 -6.69043097
0.00083379 0.00007227 -0.00026759
-0.01395882 0.00080390 0.02983355
2.03679139 12.98057649 -20.81752091
0.00019986 -0.00006028 -0.00009876
-0.01719860 0.01154231 0.00319170
0.37414057 15.42477439 -21.90574571
0.00076272 -0.00005255 -0.00018091
0.00108316 -0.02020772 0.00706601
9.78149181 -7.20190617 -0.51636317
-0.00004592 -0.00022489 0.00017674
0.01120826 0.03512975 0.00771375
9.23997196 -4.20145028 -0.41713413
-0.00019795 -0.00004617 0.00016436
0.01841802 -0.01885748 0.00553904
-16.96601316 -6.42380797 6.41276664
0.00008219 -0.00059047 -0.00027724
-0.01213688 -0.00128286 0.00595196
-17.98371606 -5.43598848 3.74234288
-0.00064082 0.00080286 -0.00021782
-0.00838425 -0.00935080 0.00134024
-14.30743017 -0.92005602 19.01894696
0.00034379 -0.00013602 -0.00122281
-0.00591309 0.01218675 -0.00225067
-14.98497899 -0.35091588 21.93969861
-0.00046998 0.00068970 -0.00006873
0.00131410 -0.00152324 -0.01031778
-0.19992817 2.94790008 -3.55344187
0.00063036 -0.00024303 -0.00040106
-0.00841738 0.00947875 0.01954333
0.82410064 2.25364537 -5.88935927
-0.00008420 -0.00015791 -0.00005061
0.01437808 -0.00754223 -0.01820860
20.24698868 -9.07808646 -5.65398943
-0.00076770 -0.00028637 0.00054785
-0.00078761 -0.00040037 -0.00359913
22.75019655 -9.58224873 -4.38750522
-0.00100351 0.00047050 0.00114963
0.02425561 -0.00288563 0.00129926
4.52890820 -11.28380501 6.44204135
0.00159065 -0.00031570 0.00072998
0.01528045 -0.00091500 -0.01139606
2.55389344 -11.61126461 8.35641390
-0.00015093 0.00012686 0.00047931
-0.00569972 -0.01107028 0.03314238
-2.63064899 -3.02230192 -20.34374460
-0.00052663 -0.00053187 -0.00114689
-0.01526690 -0.03309951 -0.01302739
-2.60090970 -1.39260987 -17.88611278
-0.00012342 0.00020538 -0.00001872
0.00541532 -0.00644771 -0.01501968
1.05353681 5.57153891 -11.19573886
0.00044515 0.00066321 -0.00109485
0.04548004 0.01554902 -0.00373171
-0.81597470 4.17784211 -9.60043823
-0.00048965 -0.00016501 0.00052988
-0.00770006 0.01747804 -0.03480567
-4.05002314 16.38660329 14.78454249
0.00006497 0.00155644 0.00077302
0.01429672 0.01536770 0.01588224
-6.63810411 15.85477652 13.87564262
-0.00000351 0.00074342 -0.00038054
-0.00449144 -0.00060384 -0.00040614
-5.59324794 2.03559382 -6.43246632
0.00049129 0.00014934 0.00022214
-0.00140206 -0.00473827 -0.00242982
-5.67158835 2.35729501 -9.35638989
0.00015174 -0.00090586 -0.00072651
0.00292552 -0.00429185 -0.00617548
-9.52631313 -1.50354786 -4.18358457
0.00054170 -0.00082421 -0.00080450
0.01283227 0.02794237 -0.00202259
-9.40083887 1.40006428 -3.25313009
0.00029129 -0.00065196 0.00015368
0.01406480 -0.02883034 -0.02660247
2.45760782 29.05642551 4.51069367
0.00010348 -0.00002927 -0.00076778
-0.01914862 0.03923666 -0.03425375
2.69133150 28.56276716 7.42599121
-0.00070016 -0.00126252 0.00010322
0.00051630 -0.00587778 -0.02387973
7.37350463 -10.23148607 -3.10976666
0.00053461 0.00042985 0.00077191
-0.02978711 0.00586943 -0.01846981
8.74755480 -10.96028230 -0.83170711
0.00028881 0.00031830 -0.00049145
0.00707958 -0.00432913 0.00728824
-5.37055079 -0.21478472 9.57280115
-0.00035680 -0.00142153 0.00043391
-0.00195182 0.00513954 -0.00626868
-8.12557210 0.81430266 10.05818754
0.00079445 -0.00032278 -0.00033742
0.00622554 -0.00002245 -0.00214043
19.37431385 9.43942960 7.88533287
-0.00030575 0.00049782 0.00017570
-0.00312821 0.00186607 0.01229904
21.50652170 10.37683758 5.98405395
0.00098327 0.00031252 0.00017766
-0.03755550 -0.02137446 0.00457115
-2.82416597 0.35645205 -22.49852172
-0.00049951 0.00077045 -0.00088414
-0.01300417 0.00591477 -0.03244979
-5.20903380 0.70400565 -24.24637964
-0.00135862 -0.00052267 -0.00053963
-0.01073138 -0.00057184 -0.00234449
-12.67909416 9.47242857 10.67862298
-0.00039086 0.00038828 -0.00001449
0.00054952 -0.00140927 -0.00035980
-13.41193226 9.51064327 7.98033757
0.00009261 0.00060553 -0.00021659
-0.00869110 -0.00628370 0.00326341
-13.75332545 4.17195445 -4.80062018
-0.00013271 0.00112515 0.00020341
-0.00375059 0.00645006 0.00025832
-14.93581829 6.88039770 -4.89688139
0.00017676 -0.00029686 -0.00053312
-0.01657101 -0.00177016 -0.00646608
-5.32771503 -16.18577387 21.35962134
0.00024302 0.00033604 -0.00007234
0.00713638 0.00742790 -0.01452833
-3.02577081 -15.50485782 19.52679906
0.00025266 0.00037100 0.00029859
-0.01096477 0.00105855 0.01345005
-6.50101795 6.71220461 -6.49813828
-0.00024867 -0.00045287 -0.00045399
0.00367511 0.00152110 0.00354038
-7.20281856 9.38151961 -5.36773064
-0.00087292 -0.00000771 0.00002453
-0.01273676 0.00400033 0.00463961
-20.61187225 31.08078387 -0.18984012
-0.00067403 0.00015611 0.00018545
-0.00318500 -0.00692015 0.00449962
-18.03510476 30.79417118 1.10027413
-0.00066101 -0.00057373 -0.00074376
-0.00119378 -0.00899510 0.00085604
9.19827542 2.95335759 6.75381275
-0.00097050 0.00023283 -0.00076439
0.01500230 0.00681416 0.02549956
9.93985938 5.37264786 8.39755033
0.00004314 -0.00097529 -0.00024523
-0.00603667 -0.00027658 0.00128269
8.52321709 17.74217495 -12.49878547
-0.00021843 0.00072874 0.00063554
0.01431536 0.01105482 -0.01387169
8.69186736 15.23733946 -11.19111967
-0.00053748 -0.00001687 -0.00020934
-0.00393009 0.00451879 -0.00371644
12.80734728 5.58272067 0.12909775
-0.00094397 -0.00000258 0.00081530
-0.00150667 0.01869646 -0.01364524
14.26514360 3.49948989 0.63260744
0.00009508 0.00010897 0.00030893
0.01242667 -0.03169629 0.01559343
-4.41064795 11.63746148 -2.82178992
-0.00089955 0.00080199 -0.00026641
-0.02286185 -0.00715365 0.05121803
-5.58003545 10.43297710 -0.18959691
0.00005209 -0.00067188 -0.00022978
0.00969442 -0.00854559 -0.01070913
7.90707384 13.57570917 4.71076182
-0.00020660 -0.00127541 0.00010795
0.00592114 -0.04814759 0.00750171
10.04760949 11.44777866 4.49353875
0.00045606 -0.00003280 0.00013165
-0.01412553 -0.00276062 0.00305823
18.50601385 -11.53071252 -9.16258366
0.00097208 0.00109867 0.00008997
0.02016781 0.00535142 -0.01514332
20.62676389 -12.82746339 -10.68498378
-0.00051463 0.00110338 0.00022896
0.00034162 -0.00133388 0.00504590
18.84753149 -5.20913253 -1.96570739
-0.00017715 0.00063631 0.00079018
0.01297939 -0.00978103 0.02153511
18.14128356 -7.45018396 -0.34204499
-0.00021155 0.00010524 -0.00017805
0.00008931 -0.00929523 0.00616465
15.25704769 9.30286240 9.34715189
-0.00067176 0.00007611 -0.00022651
-0.00410441 0.00440375 0.00321411
16.51109007 7.52233272 11.35593690
0.00048357 0.00052153 0.00023503
-0.00605160 0.00415644 -0.00908671
2.66782047 -15.81014069 17.20279963
-0.00012630 0.00055960 0.00137712
-0.00309893 0.00495356 0.00357351
3.61447229 -12.87837452 17.14874277
-0.00088560 -0.00063008 0.00057250
-0.01482408 0.02527601 0.01359157
-4.01022412 -4.30934727 -13.53851741
-0.00022825 -0.00055975 -0.00021712
-0.00571980 0.01733146 -0.00346156
-1.81585809 -2.31608702 -13.34169990
-0.00026151 0.00005017 -0.00007053
0.01311939 0.00371654 0.00468907
16.08829272 -7.50652644 -14.96115849
-0.00018566 0.00063355 0.00031470
-0.00276984 -0.00275744 -0.00716931
17.10890289 -7.73077738 -12.20448024
0.00040903 0.00013348 0.00053897
0.00873495 -0.00647202 0.01161068
9.68498821 -4.57295734 4.82806379
-0.00025786 0.00039725 -0.00004701
-0.01428643 0.00599328 0.01378642
12.21358985 -4.81416593 5.65208208
-0.00088920 0.00055510 0.00036753
0.01197100 0.00704220 0.01086744
-21.05779507 -0.01120152 24.57278307
0.00016722 0.00098890 -0.00005108
-0.01850519 -0.01757361 -0.00294296
-20.08106555 2.48342514 25.74226362
-0.00054084 0.00047080 -0.00102888
0.00794256 -0.02497296 -0.01147393
24.67306498 -2.50818181 -7.26135918
-0.00065774 0.00014378 0.00025304
0.00396156 0.00720037 -0.00041509
24.13295285 -0.43852360 -9.34949557
-0.00002352 -0.00060626 -0.00049342
-0.00014327 -0.00237886 0.01226483
12.56296168 -10.16877298 -9.87870260
-0.00034912 -0.00050195 -0.00002772
0.01393925 -0.00503413 0.03112597
12.40558548 -8.51034420 -12.09026129
0.00013581 0.00002350 0.00021004
0.00864374 0.01879098 -0.01845287
-9.36745701 -9.12841301 18.15517624
-0.00005114 0.00018259 0.00045197
-0.00121226 0.00406919 0.01333194
-11.51462531 -10.19641988 16.53770615
0.00068464 0.00157342 0.00040007
0.00579611 0.00325990 0.00804138
8.49208590 0.59928110 -30.00440450
-0.00049541 -0.00106509 -0.00081851
-0.00121030 0.00729757 0.00740928
5.71009720 0.97351703 -28.90123852
0.00054906 -0.00065312 -0.00067736
-0.00226507 -0.00254638 -0.00433935
12.48506092 19.52288283 12.45404066
-0.00026899 0.00076757 0.00034961
-0.00057397 0.02379643 0.00408347
13.96111482 17.45213196 11.13131943
-0.00061549 -0.00074458 -0.00095759
0.01947621 -0.00108762 -0.02274814
27.69036461 7.67928352 -11.69292348
0.00082512 0.00029505 0.00060781
-0.01362893 -0.00374963 0.00237289
26.03484105 7.53563944 -9.24396700
-0.00016479 -0.00089595 -0.00003331
-0.00485255 -0.00051721 -0.01416725
-7.19378067 4.59837712 6.69971133
0.00028631 -0.00004551 -0.00002752
-0.00102592 -0.00763806 -0.00493275
-8.99917007 8.75648326 3.86962264
0.00023362 -0.00006018 0.00003320
-0.00233280 -0.00935941 -0.00283424
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07879446
0.30571851
407.35458431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3700047108 (a.u.)
total exchange computation time: 3.1329610348 s
-154.0991427543
-931.38531272
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3698001152 (a.u.)
total exchange computation time: 3.1354839802 s
-154.1018211003
Anderson extrapolation: theta=1.3635375653 (1.3635375653)
-931.38550551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3694219300 (a.u.)
total exchange computation time: 3.1334409714 s
-154.1061256467
Anderson extrapolation: theta=0.0593857949 (0.0593857949)
-931.38562388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3693219628 (a.u.)
total exchange computation time: 3.1341390610 s
-154.1069188433
Anderson extrapolation: theta=2.1614711798 (2.0000000000)
-931.38562957
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3691015684 (a.u.)
total exchange computation time: 3.1348359585 s
-154.1085790970
Anderson extrapolation: theta=0.3347477242 (0.3347477242)
-931.38563683
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3690293295 (a.u.)
total exchange computation time: 3.1315269470 s
-154.1090481883
Anderson extrapolation: theta=1.3659964960 (1.3659964960)
-931.38563874
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3689548113 (a.u.)
total exchange computation time: 3.1355078220 s
-154.1094485008
Anderson extrapolation: theta=0.4173688334 (0.4173688334)
-931.38564061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3689488910 (a.u.)
total exchange computation time: 3.1337769032 s
-154.1093857485
Anderson extrapolation: theta=0.9553924302 (0.9553924302)
-931.38564122
73.059698 157.323480 -294.604452
547.531186 1079.509841 -416.124850
620.590884 1236.833321 -710.729301
1555.643227
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3689624333 (a.u.)
total exchange computation time: 3.1358571053 s
678.78164208
-1083.57361048
89.78100812
-389.20734585
-174.79837302
78.16515539
551.60419304
0.00000000
-931.38564159
3.75366651 -31.41904502 -3.82820017
-0.00037156 0.00042032 -0.00006206
-0.00578794 0.00738658 0.01268390
-11.14714017 2.24639860 -9.31977776
-0.00012181 -0.00013667 -0.00000964
0.01019269 0.00857752 -0.01733528
-37.11838506 1.86778469 3.92982721
0.00027494 0.00020311 0.00016658
0.01238928 0.03031229 -0.01778555
-7.74213907 -3.59548625 3.06110672
0.00008589 -0.00013886 -0.00022573
0.00196133 -0.00029904 -0.01513595
2.22833063 -0.09955082 9.71562891
0.00034704 0.00006892 -0.00004679
0.00168254 0.00825333 -0.02589195
-31.23761701 1.39142073 3.51498606
-0.00004938 -0.00019206 -0.00000390
-0.00560934 0.01203061 -0.00625233
16.40179120 13.28740561 -17.71357640
0.00012443 -0.00006192 0.00015948
0.02034742 0.01896647 0.00432876
-3.22301705 4.96659146 4.32400289
-0.00008635 -0.00015724 -0.00041504
-0.02063402 -0.02920378 -0.02656284
4.83392491 17.35950440 -6.53070154
-0.00012055 -0.00002507 -0.00019364
0.00628394 0.03573279 0.03402429
8.27982784 7.18191417 -21.15835156
0.00004331 0.00055306 -0.00020719
0.00063211 0.00438048 0.02443799
19.65722503 18.85926245 -5.36681438
0.00053645 -0.00017364 -0.00000836
0.00686318 0.00593842 -0.00179955
2.03704854 14.70184754 -21.44686377
-0.00019143 -0.00010403 0.00011222
0.01788344 0.00421910 -0.00443121
10.49710115 -5.53857549 0.11891525
0.00002704 -0.00005427 -0.00020935
-0.02235349 -0.00483069 -0.01123762
-16.57941245 -5.53321610 4.88749146
0.00025630 -0.00007781 -0.00015529
0.01520804 0.00742848 -0.00891916
-14.25765015 -1.53297634 20.73739112
0.00013989 -0.00008711 0.00012908
-0.00121718 0.00233858 0.00733286
0.94440481 3.66445858 -4.75521355
-0.00044267 0.00005071 -0.00009727
-0.00471384 -0.00344200 -0.00169982
20.98272306 -9.61244986 -4.08688112
-0.00004057 0.00018123 -0.00050652
-0.04174871 -0.00372489 0.00186443
2.81574197 -10.82955680 6.78703557
-0.00031334 0.00004182 -0.00021912
0.00371416 0.00934561 -0.01677346
-1.76145769 -1.72892916 -19.50498730
-0.00015936 -0.00015713 0.00041186
0.00217151 0.02954348 0.01854762
-0.62111858 5.06614155 -11.28451213
0.00010427 0.00033033 -0.00001638
-0.04710415 -0.03383562 0.04207803
-4.89516968 15.48359569 13.48641670
-0.00001565 -0.00011501 0.00007451
-0.00267668 -0.00881450 0.01222232
-4.95877392 3.05076327 -7.81363597
0.00001629 0.00014678 -0.00050076
-0.00233623 0.00941077 0.01019293
-8.65733993 0.13575957 -4.49956790
0.00003658 -0.00012728 0.00033421
-0.02129965 0.00106375 0.03176717
2.93073086 27.88840982 5.70700737
0.00011159 -0.00011935 -0.00000975
0.01666482 -0.03979373 0.05142953
8.71029583 -9.64333759 -2.09926526
-0.00016104 0.00015927 -0.00006114
0.02290288 -0.00749892 0.02254352
-6.38380607 1.35687962 9.82373286
0.00023760 0.00032314 0.00039083
-0.00200945 -0.01297697 0.00238170
19.72515889 9.60034081 6.11116134
-0.00006770 -0.00025298 -0.00047894
0.05094197 0.02975491 -0.00967604
-3.39998077 0.66393303 -24.31155846
0.00017963 -0.00016444 0.00016507
0.01247801 -0.00702703 0.03275723
-13.61889297 8.43104484 9.49344406
-0.00008647 -0.00003475 -0.00004864
0.00520738 0.01186074 -0.01295847
-13.86974252 5.78045156 -3.93352518
0.00023727 -0.00020921 0.00002314
0.02189091 -0.00261545 0.01193532
-3.80672980 -15.11371121 21.15920794
-0.00002756 0.00009188 0.00015256
0.00868792 -0.00770874 -0.00122829
-6.25579232 8.52083370 -6.62778492
-0.00027338 0.00024159 0.00040800
0.01476408 -0.01287527 -0.01824754
-19.78515479 30.24953038 1.21660950
0.00013624 0.00024543 0.00023300
-0.00108320 0.01468086 -0.01030710
10.34261999 3.59236449 8.16304708
-0.00008297 0.00033973 0.00008118
-0.01577082 -0.01613942 -0.03369913
7.47617774 16.50777907 -11.73775992
-0.00002851 -0.00002134 -0.00005449
-0.01959733 -0.01747126 0.01988291
14.03623626 4.57363442 -0.78633160
0.00019625 -0.00026703 0.00033690
-0.02086921 0.00870711 0.00479315
-5.61092672 11.87030795 -1.29847835
-0.00027829 -0.00011557 -0.00005032
0.01148131 0.02332654 -0.03811760
8.25266866 11.64590133 4.96136108
0.00025734 -0.00058040 -0.00011815
0.00536808 0.04807031 -0.00737060
19.85484558 -11.18412797 -10.44337355
0.00006383 -0.00010323 -0.00028813
-0.01828929 0.00236744 0.01475031
19.17036489 -5.89875790 -0.24027034
0.00028370 0.00024665 0.00012351
-0.01364141 0.01378138 -0.02338271
15.98310545 7.66259523 9.59565985
-0.00015137 -0.00024769 0.00001089
0.00249735 -0.00444179 0.01015796
3.87053673 -14.54890084 16.60330711
-0.00009305 -0.00024770 -0.00007846
0.01697700 -0.02005867 -0.02554609
-3.55014223 -2.48899553 -13.82199284
-0.00049159 -0.00019175 -0.00037979
-0.00128168 -0.01182720 -0.00149544
16.17939990 -6.64926203 -13.30662766
0.00025356 0.00054091 0.00030147
-0.00786757 -0.00077704 -0.00726810
10.61069910 -4.35910793 6.41802753
-0.00000909 -0.00023935 0.00036058
-0.00625536 -0.00705151 -0.02255707
-19.53011673 0.80809449 25.01653460
0.00001660 -0.00006059 0.00029963
0.00629044 0.05242169 0.01936780
24.06990235 -0.76826475 -7.49270990
-0.00002422 0.00002872 0.00029990
-0.00828314 0.00178339 -0.01898284
11.48854922 -9.77821905 -11.23622065
0.00004419 0.00013631 0.00006951
-0.02064202 -0.01237069 -0.00728325
-9.71622079 -9.93282376 16.58892024
-0.00016089 -0.00009208 0.00029889
0.01138627 -0.00336454 -0.01962117
7.35801915 0.26483519 -28.56930074
-0.00004160 -0.00036025 -0.00006591
0.00731271 -0.00696846 0.00243840
12.59075437 17.76250100 12.22915910
-0.00003542 -0.00000475 0.00005445
-0.01650926 -0.00999087 0.01853937
25.91049225 7.37801205 -11.12116165
-0.00003242 0.00018556 -0.00016366
0.02974435 0.01207803 0.01476673
3.63170962 -29.88445657 -4.88392955
-0.00005363 -0.00005091 -0.00007312
0.01174749 -0.00459888 0.01006245
3.41011662 -30.81216529 -2.03139435
-0.00021805 0.00014623 0.00014549
0.00228841 0.00113064 -0.02507016
-9.75695440 3.33994904 -8.73787388
0.00108744 -0.00003657 0.00002662
-0.01640963 -0.01411251 -0.00477066
-11.46732367 2.66925578 -11.16734762
-0.00053239 -0.00016315 -0.00045106
0.00116549 -0.00013383 0.01933749
-37.04599486 3.55888381 3.10248782
0.00079946 -0.00057398 -0.00016990
-0.00131817 -0.01691805 0.01007987
-38.88719216 1.38647235 3.57513599
-0.00112676 0.00051706 0.00044196
0.00638926 -0.00821613 0.00500048
-8.87601870 -3.81836717 1.60040458
-0.00090410 -0.00035128 0.00043646
-0.00029263 -0.00857060 0.00890332
-6.32037221 -4.67071322 2.63878180
0.00018380 0.00011330 -0.00000771
-0.00250187 -0.00010649 0.00373589
3.49582194 -1.25762768 9.07813910
-0.00092465 0.00055187 0.00037395
-0.00184004 0.00260459 -0.00078565
2.02590831 1.17762566 8.35515906
-0.00090210 -0.00015135 -0.00072056
0.00136452 -0.01303119 0.02003677
-30.86540041 -0.40941947 3.74756353
0.00003218 0.00098052 0.00029858
-0.00311880 0.00370858 -0.00420751
-33.02962576 1.61248993 3.10367103
-0.00072198 0.00012082 0.00049080
0.01052962 -0.01308484 0.00867428
15.53679559 11.89372758 -18.43178396
0.00002009 -0.00112338 -0.00140056
-0.03161108 -0.01264413 -0.01024253
17.87369925 12.30789346 -17.25331278
0.00030988 -0.00030070 -0.00018686
0.01507644 0.00023624 0.00758765
-2.96765208 6.49494190 5.21544149
0.00031335 -0.00030498 -0.00051497
0.01185516 0.02583551 0.01003433
-3.82324998 5.54771246 2.66962976
-0.00047895 0.00072603 -0.00090019
0.01290410 -0.00311715 0.01099322
5.73242870 16.78277659 -7.94375272
0.00084327 0.00004097 -0.00070894
0.01558333 -0.01274985 -0.03675917
5.93358008 18.83378202 -5.99946138
-0.00014047 0.00075393 0.00141220
-0.02036731 -0.02419716 -0.00553966
8.68635348 6.49406631 -22.81749282
0.00113052 -0.00044885 0.00048224
0.00668118 -0.00035014 0.00034014
9.71232459 7.45534238 -19.93610222
0.00004484 -0.00019058 0.00022208
-0.01382619 -0.00171362 -0.02857012
19.45684963 20.04523096 -3.89848454
0.00046554 0.00097500 0.00034139
0.00676499 0.00043939 -0.03017669
20.78396872 19.60146372 -6.69353065
0.00077419 0.00007375 -0.00014305
-0.01521503 -0.00007935 0.03113154
2.03926234 12.98002597 -20.81890457
0.00012889 -0.00001469 -0.00008499
-0.01754446 0.01077603 0.00355203
0.38561459 15.42336696 -21.90824284
0.00075796 -0.00013199 -0.00015392
-0.00341459 -0.01868037 0.00614365
9.78114648 -7.20420307 -0.51347572
-0.00000031 -0.00008111 0.00020796
0.01111821 0.03525471 0.00757087
9.23756710 -4.20272076 -0.41449899
-0.00012276 -0.00012312 0.00018665
0.01838575 -0.01880892 0.00537399
-16.96515228 -6.43270439 6.40879047
0.00003312 -0.00059383 -0.00025552
-0.01187901 -0.00035926 0.00467650
-17.99358532 -5.42423215 3.73911664
-0.00066504 0.00076375 -0.00020437
-0.00347113 -0.00979096 0.00524217
-14.30245452 -0.92172290 19.00053588
0.00032004 -0.00009195 -0.00121434
-0.00571471 0.00938536 0.00639681
-14.99198838 -0.34061710 21.93835154
-0.00046098 0.00067762 -0.00011674
0.00309160 -0.00438678 -0.01318334
-0.19073072 2.94454509 -3.55885886
0.00058815 -0.00020884 -0.00031259
-0.01224617 0.00725847 0.02376321
0.82327818 2.25104561 -5.89067636
-0.00002500 -0.00018665 -0.00012419
0.01460086 -0.00652787 -0.01781142
20.23544911 -9.08239435 -5.64588194
-0.00077287 -0.00028424 0.00052267
-0.00174390 0.00144631 -0.00873014
22.73588722 -9.57527964 -4.37022097
-0.00088510 0.00046043 0.00114918
0.03370678 -0.00204432 -0.00152143
4.55323622 -11.28856855 6.45264186
0.00162611 -0.00031259 0.00068824
0.00207474 0.00243806 -0.00903648
2.55145481 -11.60970097 8.36461919
-0.00017285 0.00008649 0.00060498
-0.00502810 -0.00869100 0.02836982
-2.63901633 -3.03129418 -20.36134722
-0.00057855 -0.00065015 -0.00118803
-0.01014501 -0.02480083 -0.00710997
-2.60259503 -1.38972676 -17.88685388
-0.00010455 0.00017835 -0.00007662
0.00381831 -0.00678349 -0.01332070
1.06160774 5.58196352 -11.21227599
0.00062188 0.00072281 -0.00110788
0.04103010 0.01362653 -0.00264336
-0.82355544 4.17590250 -9.59355653
-0.00051715 -0.00008868 0.00038039
-0.00576190 0.01988775 -0.03837178
-4.04861051 16.41042074 14.79662442
0.00011320 0.00160793 0.00082150
0.00931380 0.00984024 0.00785151
-6.63829435 15.86590929 13.86992201
-0.00002138 0.00074049 -0.00038279
-0.00425896 -0.00083033 -0.00069414
-5.58592152 2.03768877 -6.42920865
0.00048753 0.00013329 0.00020715
-0.00044165 -0.00311794 -0.00491023
-5.66922265 2.34357563 -9.36747677
0.00016596 -0.00092061 -0.00074598
0.00403898 -0.00292744 -0.00335682
-9.51779446 -1.51505477 -4.19571406
0.00059412 -0.00070740 -0.00081146
0.01283147 0.02923909 -0.00138595
-9.39603859 1.38940147 -3.25164011
0.00034495 -0.00076612 0.00004962
0.01220518 -0.02705208 -0.02433671
2.45857325 29.05718875 4.49812737
0.00002879 0.00012224 -0.00089660
-0.01741449 0.03492804 -0.02880442
2.68084492 28.54364926 7.42680782
-0.00069842 -0.00128329 0.00000756
0.00033633 -0.00429110 -0.02294791
7.38061108 -10.22485846 -3.09875400
0.00039806 0.00044777 0.00068469
-0.03705937 0.00290418 -0.02422704
8.75210393 -10.95564045 -0.83885558
0.00031838 0.00029640 -0.00045730
0.00739609 -0.00639360 0.00943063
-5.37596256 -0.23595020 9.57911765
-0.00036777 -0.00138892 0.00040880
-0.00341997 0.01082205 -0.00601849
-8.11346454 0.80946028 10.05306068
0.00081167 -0.00032245 -0.00034476
0.00220124 0.00018489 -0.00145247
19.36963178 9.44695411 7.88834526
-0.00031711 0.00050588 0.00021575
-0.00243158 0.00207814 0.00730694
21.52011992 10.38087041 5.98685898
0.00082096 0.00022115 0.00019578
-0.04189477 -0.02335252 0.00429583
-2.83205714 0.36819001 -22.51277811
-0.00054842 0.00079171 -0.00100243
-0.01093761 0.00449298 -0.02545411
-5.22974189 0.69614805 -24.25454590
-0.00137802 -0.00052576 -0.00054982
0.00123400 -0.00093966 -0.00264392
-12.68494016 9.47820955 10.67839460
-0.00038926 0.00038122 -0.00001644
0.00023131 -0.00204632 -0.00059625
-13.41080950 9.51953373 7.97718865
0.00005605 0.00057549 -0.00019860
-0.00920460 -0.00842331 0.00554492
-13.75543104 4.18902936 -4.79756105
-0.00014543 0.00113269 0.00019563
-0.00247577 -0.00276134 -0.00406803
-14.93367461 6.87589062 -4.90507640
0.00011224 -0.00030546 -0.00055552
-0.01501343 -0.00244288 -0.00449439
-5.32385099 -16.18050558 21.35809107
0.00026781 0.00036315 -0.00013123
0.00499881 0.00584212 -0.01429845
-3.02231693 -15.49926045 19.53169000
0.00020819 0.00037495 0.00035212
-0.01080037 0.00087519 0.01275338
-6.50463533 6.70545820 -6.50483965
-0.00023286 -0.00043703 -0.00043963
0.00406437 0.00623036 0.00348945
-7.21630271 9.38152658 -5.36722054
-0.00092581 0.00000820 0.00004413
-0.01315221 0.00378542 0.00495455
-20.62208027 31.08291351 -0.18692043
-0.00068442 0.00012529 0.00020844
-0.00189950 -0.00816691 0.00675041
-18.04505656 30.78528959 1.08914400
-0.00065196 -0.00060593 -0.00074106
0.00562687 -0.00676654 0.00046404
9.18417770 2.95705884 6.74312822
-0.00090260 0.00026324 -0.00065217
0.01823277 0.00807321 0.02943697
9.94032152 5.35801005 8.39391123
0.00001489 -0.00095726 -0.00023699
-0.00779183 0.00910092 0.00274738
8.52037930 17.75344480 -12.48967749
-0.00016119 0.00077113 0.00058064
0.01370423 0.00969729 -0.01299855
8.68368465 15.23722482 -11.19437368
-0.00054899 -0.00000168 -0.00022325
-0.00169940 0.00291877 -0.00309145
12.79314149 5.58325484 0.14090919
-0.00093801 0.00006405 0.00075139
0.00442856 0.01392253 -0.01764170
14.26695056 3.50015315 0.63771920
0.00014640 -0.00002221 0.00037529
0.01269472 -0.03251433 0.01688854
-4.42484178 11.64927211 -2.82421664
-0.00099018 0.00077083 -0.00005982
-0.02149951 -0.00810123 0.04991109
-5.57895698 10.42263697 -0.19337170
0.00009209 -0.00070258 -0.00027722
0.00988209 -0.00647958 -0.01251775
7.90415630 13.55510258 4.71261089
-0.00018292 -0.00146545 0.00013753
0.00566749 -0.04487834 0.00698211
10.05401748 11.44720201 4.49560727
0.00039790 -0.00004444 0.00014420
-0.01434415 -0.00293516 0.00308250
18.52121306 -11.51406855 -9.16169808
0.00104845 0.00111881 0.00003282
0.01721639 0.00451082 -0.01283593
20.61905498 -12.81095361 -10.68139482
-0.00050375 0.00107838 0.00024660
0.00498101 -0.01090422 0.00358873
18.84527195 -5.19988754 -1.95319479
-0.00012463 0.00059841 0.00087279
0.01272999 -0.00877430 0.01890480
18.13811303 -7.44889013 -0.34452678
-0.00020801 0.00007172 -0.00015191
0.00164304 -0.00711666 0.00663119
15.24684547 9.30413902 9.34385272
-0.00068487 0.00008605 -0.00021231
-0.00231176 0.00045946 0.00373706
16.51815811 7.53028296 11.35918388
0.00045733 0.00053843 0.00019354
-0.00679174 0.00412052 -0.01122321
2.66583107 -15.80159485 17.22356593
-0.00013775 0.00057740 0.00138963
-0.00250775 0.00376010 0.00255129
3.60073398 -12.88705112 17.15774681
-0.00094397 -0.00052562 0.00062679
-0.01374498 0.02585410 0.01297994
-4.01382308 -4.31721244 -13.54188022
-0.00025151 -0.00048663 -0.00023161
-0.00566650 0.01846373 -0.00363330
-1.81937872 -2.31522064 -13.34261410
-0.00021385 0.00006493 -0.00005299
0.01021152 0.00351242 0.00389487
16.08542299 -7.49710774 -14.95665773
-0.00019656 0.00062149 0.00028507
-0.00256860 -0.00314434 -0.00733325
17.11530602 -7.72897352 -12.19603983
0.00044035 0.00011179 0.00058119
0.00659399 -0.00414736 0.00905210
9.68068246 -4.56681495 4.82778113
-0.00031385 0.00042191 0.00001449
-0.01311879 0.00608062 0.01631646
12.20061870 -4.80562363 5.65792798
-0.00082645 0.00057993 0.00040624
0.01874668 0.00510999 0.00808557
-21.05585390 0.00309342 24.57192668
0.00008411 0.00091093 -0.00006614
-0.02217340 -0.02058957 -0.00442691
-20.08893484 2.48972183 25.72647880
-0.00050648 0.00036866 -0.00107441
0.00887909 -0.02502391 -0.01081208
24.66332024 -2.50580443 -7.25757636
-0.00063953 0.00016859 0.00025261
0.00495484 0.00494088 0.00020663
24.13259567 -0.44769044 -9.35652102
-0.00002471 -0.00061586 -0.00043585
-0.00044150 -0.00231823 0.01591416
12.55815202 -10.17645653 -9.87816465
-0.00029068 -0.00052274 0.00010052
0.01466898 -0.00514317 0.03165148
12.40788751 -8.50941589 -12.08767614
0.00017179 0.00010055 0.00013501
0.00896579 0.01892530 -0.01827688
-9.36826121 -9.12554949 18.16236429
-0.00005566 0.00019700 0.00050157
-0.00100123 0.00298789 0.01094876
-11.50417805 -10.17271865 16.54395361
0.00069000 0.00158355 0.00043132
-0.00317413 0.00169837 0.00725675
8.48461773 0.58352839 -30.01645503
-0.00050022 -0.00103589 -0.00078525
-0.00114865 0.00699479 0.00886958
5.71826362 0.96364212 -28.91153183
0.00053128 -0.00066042 -0.00069538
-0.00643709 -0.00102620 -0.00448265
12.48100850 19.53512552 12.45940996
-0.00026889 0.00084903 0.00036296
0.00061995 0.01608018 0.00244892
13.95247924 17.44092986 11.11625852
-0.00054074 -0.00074618 -0.00104686
0.01711647 0.00030905 -0.02095192
27.70232371 7.68359432 -11.68373369
0.00076347 0.00027882 0.00061744
-0.01654821 -0.00419214 0.00234546
26.03222055 7.52218427 -9.24490071
-0.00018543 -0.00089754 -0.00009130
-0.00525144 -0.00025927 -0.01421930
-7.18948877 4.59767404 6.69928529
0.00028596 -0.00004824 -0.00002927
-0.00094181 -0.00763768 -0.00487010
-8.99566980 8.75556426 3.87011570
0.00023307 -0.00006237 0.00003253
-0.00241710 -0.00950151 -0.00295916
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07905950
0.30658209
408.50526885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3584616571 (a.u.)
total exchange computation time: 3.1322770119 s
-154.0519757452
-931.38367984
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3584194457 (a.u.)
total exchange computation time: 3.1327290535 s
-154.0534452815
Anderson extrapolation: theta=1.3526603077 (1.3526603077)
-931.38386292
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3582760307 (a.u.)
total exchange computation time: 3.1367080212 s
-154.0560480308
Anderson extrapolation: theta=0.0536527250 (0.0536527250)
-931.38397305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3582001978 (a.u.)
total exchange computation time: 3.1340799332 s
-154.0566990616
Anderson extrapolation: theta=1.9751551928 (1.9751551928)
-931.38397743
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3580321637 (a.u.)
total exchange computation time: 3.1321170330 s
-154.0580629546
Anderson extrapolation: theta=0.2293214855 (0.2293214855)
-931.38398238
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3579908300 (a.u.)
total exchange computation time: 3.1328780651 s
-154.0583392303
Anderson extrapolation: theta=1.8417108140 (1.8417108140)
-931.38398341
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3579335445 (a.u.)
total exchange computation time: 3.1329731941 s
-154.0586601533
Anderson extrapolation: theta=0.2900990422 (0.2900990422)
-931.38398472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3579352714 (a.u.)
total exchange computation time: 3.1339240074 s
-154.0585821975
Anderson extrapolation: theta=1.3067997708 (1.3067997708)
-931.38398505
73.077262 157.312858 -294.679667
547.467764 1079.545475 -416.138092
620.545026 1236.858332 -710.817759
1555.685235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3579502048 (a.u.)
total exchange computation time: 3.1276760101 s
678.61954249
-1083.21363717
89.79147267
-389.45289283
-174.77052029
77.96553025
551.60419304
0.00000000
-931.38398534
3.74807078 -31.41271178 -3.82908208
-0.00037443 0.00042340 -0.00005496
-0.00536790 0.00458905 0.01490553
-11.14892800 2.24438168 -9.31998929
-0.00011561 -0.00013135 -0.00001852
0.01392290 0.01210031 -0.01718631
-37.11421324 1.87094831 3.93225723
0.00027961 0.00021740 0.00015753
0.00578682 0.02523067 -0.01738078
-7.74084322 -3.59757028 3.05766234
0.00008652 -0.00013876 -0.00023336
0.00050067 0.00069759 -0.01453387
2.23354271 -0.09848518 9.71482721
0.00034587 0.00007530 -0.00005960
-0.00624427 0.01655519 -0.02391410
-31.23837931 1.38858631 3.51490348
-0.00005356 -0.00018376 -0.00000750
-0.01063722 0.02023656 -0.00776554
16.40373608 13.28655003 -17.71116754
0.00013355 -0.00005476 0.00016047
0.01514675 0.00885513 -0.00046759
-3.22439189 4.96412020 4.31767486
-0.00009743 -0.00017186 -0.00043003
-0.02246146 -0.02763539 -0.03173236
4.83214089 17.35926624 -6.53347489
-0.00011571 -0.00000653 -0.00017732
0.01252716 0.03635159 0.02945367
8.28047996 7.19022691 -21.16136521
0.00004403 0.00055519 -0.00019468
0.00214451 0.00392712 0.02424056
19.66529819 18.85668070 -5.36694677
0.00054013 -0.00016948 -0.00000860
0.00746527 0.01024546 0.00086349
2.03424607 14.70030343 -21.44519760
-0.00018094 -0.00010204 0.00011016
0.02290888 0.00350220 -0.00357130
10.49742052 -5.53940817 0.11573162
0.00001575 -0.00005667 -0.00021493
-0.02153127 -0.00449742 -0.01045092
-16.57550921 -5.53435452 4.88512769
0.00026276 -0.00007413 -0.00016045
0.00990585 0.00685092 -0.01113833
-14.25555643 -1.53427393 20.73935566
0.00013881 -0.00008454 0.00013139
-0.00299198 0.00765684 0.00163430
0.93774657 3.66520596 -4.75667916
-0.00044433 0.00004916 -0.00009928
-0.00172999 -0.00259971 -0.00613127
20.98195353 -9.60974579 -4.09447166
-0.00006395 0.00017865 -0.00050367
-0.04919497 -0.00629980 0.00920997
2.81105625 -10.82889338 6.78368407
-0.00030851 0.00004512 -0.00022679
0.01506058 0.00345451 -0.01305316
-1.76383970 -1.73117217 -19.49873792
-0.00015905 -0.00014409 0.00041926
-0.00096309 0.02115766 0.01023456
-0.61973618 5.07096606 -11.28459559
0.00008115 0.00031309 0.00000563
-0.04281662 -0.03320688 0.04354240
-4.89541469 15.48183659 13.48758152
-0.00001581 -0.00011799 0.00008298
0.00204583 -0.00280581 0.02069608
-4.95853852 3.05300127 -7.82110805
0.00001457 0.00015091 -0.00049559
-0.00437893 0.00666605 0.00992136
-8.65687342 0.13385447 -4.49443224
0.00002633 -0.00012754 0.00034961
-0.01855624 -0.00207254 0.02814295
2.93246902 27.88646600 5.70705955
0.00011966 -0.00013877 0.00001448
0.01470640 -0.03571257 0.04278966
8.70796850 -9.64097747 -2.10009544
-0.00014774 0.00015655 -0.00004882
0.02883396 -0.00308111 0.02536100
-6.38024981 1.36167660 9.82960453
0.00023800 0.00031499 0.00039175
0.00354763 -0.01871217 0.00117898
19.72433986 9.59666090 6.10393998
-0.00004084 -0.00023737 -0.00048249
0.05351059 0.03093781 -0.00413830
-3.39723813 0.66143933 -24.30895608
0.00018250 -0.00016765 0.00017969
-0.00134565 -0.00544246 0.02411190
-13.62016990 8.43056934 9.49266454
-0.00008365 -0.00002797 -0.00005567
0.00575841 0.01449678 -0.01440248
-13.86609899 5.77730335 -3.93313200
0.00024774 -0.00020782 0.00002990
0.01881723 0.00802470 0.01435168
-3.80710963 -15.11236280 21.16149166
-0.00002263 0.00008840 0.00015214
0.01045134 -0.00579938 -0.00040328
-6.25983602 8.52440792 -6.62173537
-0.00026581 0.00023393 0.00039863
0.01464672 -0.01690670 -0.01817854
-19.78311543 30.25326846 1.22006471
0.00013357 0.00025268 0.00022731
-0.00927095 0.01351479 -0.01182420
10.34131461 3.59739815 8.16413483
-0.00009130 0.00032860 0.00006262
-0.01662754 -0.02714195 -0.03848505
7.47567452 16.50739152 -11.73850050
-0.00003890 -0.00002938 -0.00004472
-0.02082022 -0.01378293 0.01807893
14.03909946 4.56966257 -0.78125967
0.00018415 -0.00026138 0.00034013
-0.02615147 0.01326530 0.00778893
-5.61505685 11.86866432 -1.29938014
-0.00027290 -0.00010385 -0.00006887
0.00950026 0.02225235 -0.03401099
8.25654949 11.63738080 4.95956038
0.00026021 -0.00055672 -0.00012173
0.00578607 0.04400109 -0.00655916
19.85573250 -11.18566729 -10.44763861
0.00005406 -0.00009921 -0.00028096
-0.01969546 0.01324800 0.01312985
19.17456774 -5.89500492 -0.23850787
0.00027633 0.00025282 0.00011219
-0.01501005 0.01019085 -0.02065838
15.98084459 7.65886281 9.59586233
-0.00015038 -0.00024891 0.00001644
0.00133640 -0.00030222 0.01143133
3.86920653 -14.55269377 16.60203172
-0.00008474 -0.00025755 -0.00009110
0.01534105 -0.01821871 -0.02360482
-3.55752096 -2.49191741 -13.82769543
-0.00049148 -0.00019782 -0.00038023
0.00169356 -0.01175699 -0.00021235
16.18317296 -6.64115134 -13.30213370
0.00025002 0.00053982 0.00029833
-0.00591612 -0.00346858 -0.00491242
10.61053862 -4.36272543 6.42334919
-0.00001425 -0.00024251 0.00034913
-0.01381390 -0.00523524 -0.02196450
-19.52984353 0.80738784 25.02110374
0.00002031 -0.00003316 0.00030971
0.00813801 0.05426606 0.01984523
24.06950705 -0.76782709 -7.48828467
-0.00002867 0.00003021 0.00028909
-0.00901834 0.00403308 -0.02302926
11.48913239 -9.77622210 -11.23520611
0.00003362 0.00013001 0.00006572
-0.02044590 -0.01211770 -0.00745721
-9.71859020 -9.93421796 16.59332784
-0.00015273 -0.00009312 0.00028971
0.02032323 -0.00067703 -0.01604998
7.35742343 0.25940452 -28.57028003
-0.00003683 -0.00036413 -0.00006489
0.01122617 -0.00812802 0.00153602
12.59015942 17.76239118 12.23004739
-0.00004339 -0.00000822 0.00006377
-0.01448549 -0.00348934 0.01771299
25.91012070 7.38084200 -11.12355961
-0.00001642 0.00019182 -0.00015617
0.03247358 0.01226731 0.01437514
3.63126511 -29.88536108 -4.88471798
-0.00000641 -0.00006483 -0.00003490
0.01136718 -0.00221671 0.00864520
3.40691594 -30.80993717 -2.02998021
-0.00020833 0.00015147 0.00004183
0.00246899 0.00143448 -0.02567120
-9.74114562 3.33896803 -8.73762083
0.00101088 -0.00010120 0.00000255
-0.02106928 -0.01752198 -0.00700968
-11.47527383 2.66680439 -11.17352094
-0.00052559 -0.00016391 -0.00036797
0.00216611 -0.00023692 0.02133351
-37.03404328 3.54975566 3.10024824
0.00079365 -0.00063633 -0.00013167
-0.00152731 -0.01360206 0.00863356
-38.90389775 1.39397641 3.58191860
-0.00108699 0.00048687 0.00046468
0.01307706 -0.00655765 0.00612169
-8.88958915 -3.82389906 1.60722437
-0.00090273 -0.00038691 0.00047327
0.00096095 -0.00886597 0.00911595
-6.31769188 -4.66901705 2.63878067
0.00017377 0.00011152 0.00000619
-0.00240919 -0.00076217 0.00306800
3.48189580 -1.24926977 9.08372421
-0.00091727 0.00054906 0.00036285
0.00545122 -0.00398232 -0.00464447
2.01241860 1.17495602 8.34496461
-0.00089514 -0.00020837 -0.00063429
0.00204227 -0.01487723 0.02219209
-30.86501330 -0.39459801 3.75191324
0.00002163 0.00098046 0.00028304
-0.00204236 -0.00373627 -0.00339846
-33.04013282 1.61390121 3.11129884
-0.00067107 0.00006554 0.00052778
0.01439011 -0.01397126 0.00942747
15.53612823 11.87648936 -18.45310627
-0.00009588 -0.00115504 -0.00143127
-0.02515429 -0.00285178 -0.00478902
17.87880943 12.30339014 -17.25588313
0.00036845 -0.00029833 -0.00015632
0.01359620 0.00092520 0.00736114
-2.96258848 6.49115892 5.20802438
0.00036217 -0.00019848 -0.00047275
0.01204115 0.02629708 0.01063268
-3.83003874 5.55850736 2.65646384
-0.00042261 0.00070925 -0.00084556
0.01467033 -0.00509771 0.01574852
5.74555522 16.78300044 -7.95551322
0.00089906 -0.00000348 -0.00084430
0.01172623 -0.00900998 -0.02949911
5.93084895 18.84434956 -5.97844806
-0.00022875 0.00064595 0.00138373
-0.02284852 -0.02866290 -0.00839645
8.70351599 6.48732280 -22.81024878
0.00115599 -0.00044965 0.00048370
0.00578937 -0.00003809 0.00037281
9.71257344 7.45243113 -19.93364646
-0.00001329 -0.00019695 0.00010546
-0.01462467 -0.00140544 -0.02851713
19.46404003 20.05986943 -3.89428839
0.00049353 0.00096962 0.00021118
0.00693876 -0.00307494 -0.03356160
20.79511534 19.60256749 -6.69472239
0.00071010 0.00007187 -0.00001427
-0.01615573 -0.00083956 0.03190769
2.04065806 12.98013587 -20.82007054
0.00005672 0.00002726 -0.00006958
-0.01778183 0.00975849 0.00399053
0.39687934 15.42081467 -21.91036345
0.00073440 -0.00020470 -0.00013099
-0.00811856 -0.01690897 0.00508519
9.78148255 -7.20433936 -0.51012429
0.00004437 0.00006160 0.00023813
0.01075233 0.03459894 0.00719587
9.23628902 -4.20514396 -0.41153449
-0.00004852 -0.00019896 0.00020798
0.01796003 -0.01831645 0.00506348
-16.96501943 -6.44162282 6.40510090
-0.00001464 -0.00059313 -0.00023947
-0.01150295 0.00070202 0.00318025
-18.00366732 -5.41307587 3.73621168
-0.00066943 0.00072280 -0.00017542
0.00132224 -0.01025677 0.00892982
-14.29782910 -0.92281458 18.98251684
0.00029704 -0.00005886 -0.00117185
-0.00554297 0.00681158 0.01440242
-14.99880829 -0.33058717 21.93619652
-0.00044505 0.00065439 -0.00017564
0.00470506 -0.00698831 -0.01564840
-0.18228378 2.94163496 -3.56281950
0.00053115 -0.00018360 -0.00020788
-0.01565620 0.00509660 0.02749397
0.82335054 2.24804578 -5.89308504
0.00003493 -0.00021056 -0.00019527
0.01473879 -0.00517551 -0.01697969
20.22380268 -9.08661360 -5.63830948
-0.00078199 -0.00027465 0.00047671
-0.00272331 0.00324626 -0.01376525
22.72364365 -9.56843584 -4.35302996
-0.00073008 0.00045391 0.00113787
0.04217400 -0.00114480 -0.00401354
4.57769140 -11.29318267 6.46268855
0.00160959 -0.00029646 0.00065537
-0.01015815 0.00545836 -0.00705554
2.54870802 -11.60866997 8.37456316
-0.00019159 0.00005661 0.00070922
-0.00414710 -0.00593354 0.02265739
-2.64800541 -3.04180639 -20.37938558
-0.00060921 -0.00073430 -0.00120446
-0.00486461 -0.01639142 -0.00093194
-2.60404635 -1.38725938 -17.88841135
-0.00009269 0.00015031 -0.00012656
0.00199120 -0.00694345 -0.01112602
1.07219325 5.59322325 -11.22897512
0.00077690 0.00077345 -0.00111646
0.03485195 0.01116169 -0.00155894
-0.83148931 4.17518174 -9.58902649
-0.00053697 -0.00000372 0.00021860
-0.00394065 0.02170249 -0.04082698
-4.04662707 16.43484125 14.80918753
0.00014123 0.00163640 0.00083746
0.00440789 0.00409437 -0.00003841
-6.63874561 15.87699118 13.86415887
-0.00003796 0.00073654 -0.00038627
-0.00385577 -0.00110297 -0.00100950
-5.57862215 2.03959262 -6.42625191
0.00048758 0.00012378 0.00018215
0.00046928 -0.00153875 -0.00732459
-5.66660942 2.32967683 -9.37876937
0.00018471 -0.00092962 -0.00075397
0.00513785 -0.00148301 -0.00055096
-9.50848939 -1.52476972 -4.20792850
0.00064585 -0.00058672 -0.00081564
0.01248887 0.02983427 -0.00065685
-9.39049030 1.37708073 -3.25164164
0.00039016 -0.00087148 -0.00004374
0.00992226 -0.02452410 -0.02136076
2.45847141 29.06009260 4.48379576
-0.00003776 0.00025339 -0.00100038
-0.01516088 0.02927198 -0.02199619
2.67037894 28.52426837 7.42621804
-0.00069766 -0.00129720 -0.00008296
0.00003303 -0.00251873 -0.02136130
7.38544631 -10.21805286 -3.08922611
0.00023378 0.00045429 0.00057571
-0.04335604 0.00028497 -0.02911486
8.75710633 -10.95139044 -0.84542609
0.00034911 0.00026636 -0.00041491
0.00764367 -0.00831018 0.01132000
-5.38158393 -0.25645245 9.58506529
-0.00038390 -0.00133408 0.00038457
-0.00447476 0.01602550 -0.00584535
-8.10122208 0.80462924 10.04784481
0.00081223 -0.00032144 -0.00034933
-0.00192693 0.00030787 -0.00078569
19.36480069 9.45460598 7.89180547
-0.00032556 0.00051468 0.00023504
-0.00170508 0.00223142 0.00213186
21.53115056 10.38347205 5.98992728
0.00064333 0.00012274 0.00021250
-0.04505733 -0.02482014 0.00388823
-2.84061863 0.38020333 -22.52859449
-0.00058807 0.00080689 -0.00108938
-0.00847143 0.00293850 -0.01711088
-5.25037436 0.68823286 -24.26287420
-0.00135039 -0.00053014 -0.00056094
0.01229106 -0.00120442 -0.00280144
-12.69077198 9.48386512 10.67812968
-0.00038889 0.00037163 -0.00001935
-0.00004775 -0.00264553 -0.00082828
-13.41025086 9.52790795 7.97437956
0.00001753 0.00053714 -0.00017190
-0.00965013 -0.01034798 0.00752713
-13.75768836 4.20593502 -4.79475123
-0.00015293 0.00110159 0.00016958
-0.00119318 -0.01246157 -0.00868670
-14.93245105 6.87123383 -4.91354685
0.00005447 -0.00031715 -0.00056937
-0.01326537 -0.00327994 -0.00228916
-5.31968059 -16.17487926 21.35568449
0.00028334 0.00038345 -0.00018896
0.00259972 0.00409164 -0.01396360
-3.01952497 -15.49360944 19.53736255
0.00016493 0.00037803 0.00040189
-0.01037788 0.00063393 0.01161163
-6.50800362 6.69909363 -6.51132717
-0.00021556 -0.00040265 -0.00042536
0.00440189 0.01059849 0.00349577
-7.23059290 9.38176555 -5.36640680
-0.00097976 0.00002272 0.00006415
-0.01325705 0.00332564 0.00484774
-20.63240470 31.08454262 -0.18358704
-0.00068974 0.00008972 0.00024011
-0.00070704 -0.00924620 0.00875488
-18.05466351 30.77599330 1.07804232
-0.00061469 -0.00062902 -0.00074029
0.01261643 -0.00453870 -0.00008450
9.17119740 2.96125486 6.73424777
-0.00082281 0.00029805 -0.00052560
0.02082469 0.00896574 0.03251851
9.94030614 5.34392999 8.39044051
-0.00002073 -0.00090028 -0.00022272
-0.00964483 0.01879262 0.00423815
8.51838139 17.76530895 -12.48136615
-0.00010749 0.00080667 0.00053003
0.01258073 0.00769605 -0.01177824
8.67539780 15.23728906 -11.19781717
-0.00055108 0.00000663 -0.00023446
0.00067646 0.00114746 -0.00239712
12.77920712 5.58464226 0.15163944
-0.00090846 0.00011170 0.00067209
0.01003288 0.00940112 -0.02117762
14.26953553 3.49882372 0.64386600
0.00019816 -0.00015496 0.00044512
0.01264490 -0.03246850 0.01729618
-4.44035324 11.66058624 -2.82358451
-0.00107391 0.00073578 0.00013930
-0.01948942 -0.00905144 0.04755843
-5.57727287 10.41189973 -0.19791366
0.00013267 -0.00072460 -0.00033196
0.00998616 -0.00430073 -0.01427792
7.90158610 13.53174557 4.71488786
-0.00016073 -0.00163987 0.00016472
0.00519474 -0.04049895 0.00632663
10.05954638 11.44644548 4.49786471
0.00033954 -0.00005687 0.00015667
-0.01422134 -0.00314852 0.00302009
18.53746739 -11.49714813 -9.16159917
0.00111178 0.00113547 -0.00001381
0.01378462 0.00364392 -0.00998889
20.61165133 -12.79511211 -10.67758591
-0.00047359 0.00101358 0.00025830
0.00978267 -0.02081394 0.00214031
18.84379258 -5.19118029 -1.93952358
-0.00007348 0.00056519 0.00094335
0.01230723 -0.00748856 0.01563214
18.13504320 -7.44803245 -0.34660217
-0.00019807 0.00004724 -0.00012389
0.00322444 -0.00486420 0.00708410
15.23650157 9.30544381 9.34078257
-0.00069069 0.00008001 -0.00019601
-0.00053787 -0.00341538 0.00424178
16.52480990 7.53848573 11.36174303
0.00042829 0.00055504 0.00014412
-0.00742131 0.00400601 -0.01296515
2.66368798 -15.79281857 17.24448859
-0.00014662 0.00059034 0.00139782
-0.00183410 0.00257285 0.00145637
3.58615329 -12.89414323 17.16754634
-0.00099739 -0.00042136 0.00067757
-0.01240616 0.02518176 0.01187694
-4.01776932 -4.32394604 -13.54546570
-0.00027462 -0.00040971 -0.00024665
-0.00564753 0.01918902 -0.00372892
-1.82227352 -2.31413900 -13.34328960
-0.00017875 0.00007872 -0.00003891
0.00696977 0.00323528 0.00299680
16.08239585 -7.48788175 -14.95260639
-0.00020659 0.00060799 0.00025508
-0.00233856 -0.00346346 -0.00734466
17.12211327 -7.72742383 -12.18704466
0.00046261 0.00009998 0.00061261
0.00430353 -0.00163049 0.00633193
9.67557271 -4.56029991 4.82849844
-0.00036516 0.00044672 0.00008574
-0.01199954 0.00606308 0.01856010
12.18879646 -4.79676815 5.66426941
-0.00073628 0.00059701 0.00043335
0.02539190 0.00325198 0.00518238
-21.05527165 0.01612651 24.57079897
-0.00001192 0.00082182 -0.00008663
-0.02483814 -0.02303317 -0.00560294
-20.09625996 2.49448490 25.71003135
-0.00046874 0.00026759 -0.00111668
0.00959665 -0.02445054 -0.00987942
24.65387917 -2.50312424 -7.25378088
-0.00061724 0.00018404 0.00025474
0.00595522 0.00262563 0.00083417
24.13221143 -0.45699937 -9.36257116
-0.00002707 -0.00062495 -0.00036437
-0.00071388 -0.00213323 0.01907873
12.55424138 -10.18445529 -9.87568689
-0.00023088 -0.00054319 0.00022866
0.01460089 -0.00486765 0.03107022
12.41073903 -8.50732773 -12.08621110
0.00020811 0.00017657 0.00006186
0.00881683 0.01828717 -0.01752936
-9.36912676 -9.12250286 18.17022335
-0.00005939 0.00020662 0.00054076
-0.00082699 0.00172042 0.00823709
-11.49392532 -10.14891334 16.55064581
0.00065817 0.00158764 0.00045933
-0.01240479 0.00030517 0.00645167
8.47707916 0.56820436 -30.02796198
-0.00050461 -0.00100791 -0.00074623
-0.00099897 0.00670265 0.01023107
5.72603554 0.95370433 -28.92209987
0.00049673 -0.00066166 -0.00071397
-0.01047335 0.00042203 -0.00461841
12.47699407 19.54835369 12.46492934
-0.00026394 0.00089856 0.00036953
0.00180776 0.00816518 0.00077110
13.94489266 17.42974671 11.09991354
-0.00047709 -0.00074166 -0.00112738
0.01404089 0.00190252 -0.01845935
27.71326864 7.68764820 -11.67440016
0.00069086 0.00026093 0.00062659
-0.01899533 -0.00456391 0.00212924
26.02927820 7.50871321 -9.24670587
-0.00020760 -0.00089800 -0.00014878
-0.00560090 0.00003415 -0.01391907
-7.18520193 4.59692996 6.69883310
0.00028564 -0.00005097 -0.00003101
-0.00085988 -0.00762314 -0.00481493
-8.99217794 8.75461218 3.87059845
0.00023250 -0.00006459 0.00003182
-0.00245986 -0.00959126 -0.00309723
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07905045
0.30493489
406.31044894
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3483658079 (a.u.)
total exchange computation time: 3.1268999577 s
-154.0077810512
-931.37963005
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3484137255 (a.u.)
total exchange computation time: 3.1237030029 s
-154.0085454322
Anderson extrapolation: theta=1.3466272028 (1.3466272028)
-931.37981222
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3483852500 (a.u.)
total exchange computation time: 3.1230981350 s
-154.0102561918
Anderson extrapolation: theta=0.0513110836 (0.0513110836)
-931.37992055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3483089930 (a.u.)
total exchange computation time: 3.1231169701 s
-154.0109142378
Anderson extrapolation: theta=1.8897850396 (1.8897850396)
-931.37992445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3481398087 (a.u.)
total exchange computation time: 3.1224730015 s
-154.0122858380
Anderson extrapolation: theta=0.2156904240 (0.2156904240)
-931.37992845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3480940937 (a.u.)
total exchange computation time: 3.1267600060 s
-154.0125902360
Anderson extrapolation: theta=1.8530098390 (1.8530098390)
-931.37992922
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3480236498 (a.u.)
total exchange computation time: 3.1245858669 s
-154.0129951547
Anderson extrapolation: theta=0.2916978043 (0.2916978043)
-931.37993018
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3480181104 (a.u.)
total exchange computation time: 3.1234190464 s
-154.0129613696
Anderson extrapolation: theta=1.3164959007 (1.3164959007)
-931.37993044
73.092687 157.293914 -294.754290
547.404226 1079.579425 -416.151253
620.496913 1236.873339 -710.905543
1555.718087
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1642617631
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3480221172 (a.u.)
total exchange computation time: 3.1218299866 s
678.47671320
-1082.89732602
89.80185108
-389.66742687
-174.74571993
77.79078473
551.60419304
0.00000000
-931.37993067
3.74243364 -31.40634313 -3.82984899
-0.00037706 0.00042497 -0.00004681
-0.00487366 0.00151451 0.01679457
-11.15060842 2.24245810 -9.32033341
-0.00010765 -0.00012442 -0.00002730
0.01704050 0.01484037 -0.01697023
-37.10999677 1.87430656 3.93455317
0.00028104 0.00022900 0.00014882
-0.00020590 0.01988498 -0.01649786
-7.73954351 -3.59964893 3.05410585
0.00008640 -0.00013813 -0.00024066
-0.00094315 0.00173520 -0.01383710
2.23870662 -0.09729182 9.71384103
0.00034057 0.00008590 -0.00007123
-0.01435671 0.02468323 -0.02131578
-31.23922367 1.38590801 3.51476100
-0.00006020 -0.00017121 -0.00001187
-0.01518652 0.02855891 -0.00922024
16.40579781 13.28576277 -17.70876228
0.00014017 -0.00005271 0.00015903
0.01057859 -0.00087292 -0.00514256
-3.22594001 4.96143573 4.31110202
-0.00010934 -0.00018546 -0.00044733
-0.02385592 -0.02524965 -0.03553508
4.83045351 17.35930851 -6.53602101
-0.00010771 0.00001206 -0.00016355
0.01861295 0.03594520 0.02408377
8.28114862 7.19856995 -21.16419185
0.00004543 0.00055704 -0.00018243
0.00330789 0.00324555 0.02338004
19.67342893 18.85417800 -5.36707250
0.00054406 -0.00016328 -0.00000750
0.00780397 0.01387350 0.00341931
2.03162033 14.69878635 -21.44355897
-0.00016787 -0.00010040 0.00010855
0.02792810 0.00286814 -0.00270581
10.49757378 -5.54027554 0.11246735
0.00000506 -0.00005882 -0.00022001
-0.02007446 -0.00385564 -0.00929918
-16.57152956 -5.53544009 4.88267800
0.00026654 -0.00007078 -0.00016662
0.00477837 0.00619977 -0.01287133
-14.25348580 -1.53551246 20.74133280
0.00013687 -0.00007938 0.00013087
-0.00454464 0.01238116 -0.00367086
0.93107498 3.66593328 -4.75819206
-0.00044457 0.00004792 -0.00010350
0.00078008 -0.00221448 -0.01027612
20.98080448 -9.60709031 -4.10199114
-0.00009078 0.00017477 -0.00049722
-0.05514377 -0.00880589 0.01587807
2.80648673 -10.82820331 6.78023188
-0.00029821 0.00004543 -0.00023229
0.02499609 -0.00223459 -0.00835213
-1.76622914 -1.73325195 -19.49240957
-0.00016026 -0.00013532 0.00042229
-0.00375513 0.01296135 0.00156080
-0.61868409 5.07553438 -11.28434314
0.00006059 0.00029642 0.00002813
-0.03715188 -0.03161716 0.04393934
-4.89564392 15.48005585 13.48890601
-0.00001369 -0.00011795 0.00009564
0.00620351 0.00299505 0.02856065
-4.95833691 3.05529070 -7.82850358
0.00001182 0.00015365 -0.00049056
-0.00630401 0.00398904 0.00962014
-8.65655005 0.13193338 -4.48907947
0.00001767 -0.00012942 0.00036297
-0.01510895 -0.00524464 0.02379266
2.93432064 27.88424667 5.70744184
0.00012667 -0.00015592 0.00003390
0.01256911 -0.03096300 0.03271823
8.70586363 -9.63864113 -2.10072997
-0.00013173 0.00015591 -0.00003528
0.03343486 0.00057835 0.02730127
-6.37666618 1.36632921 9.83548530
0.00024113 0.00030404 0.00039208
0.00865654 -0.02386433 0.00010376
19.72393364 9.59321967 6.09668669
-0.00001292 -0.00022125 -0.00048317
0.05507549 0.03173859 0.00149722
-3.39450586 0.65890363 -24.30616768
0.00017847 -0.00017004 0.00018951
-0.01432056 -0.00387548 0.01405675
-13.62140241 8.43020568 9.49177392
-0.00008057 -0.00001992 -0.00006337
0.00622397 0.01682767 -0.01555092
-13.86231030 5.77421705 -3.93262810
0.00025662 -0.00020091 0.00003790
0.01570004 0.01882197 0.01673886
-3.80740884 -15.11105913 21.16377227
-0.00001682 0.00008595 0.00015223
0.01216568 -0.00372197 0.00075466
-6.26376673 8.52785171 -6.61582606
-0.00025838 0.00022438 0.00038938
0.01427608 -0.02024630 -0.01778504
-19.78114760 30.25711080 1.22342869
0.00012677 0.00025931 0.00022095
-0.01718361 0.01227263 -0.01288075
10.33988095 3.60222243 8.16492568
-0.00009992 0.00031194 0.00004180
-0.01688618 -0.03765072 -0.04247044
7.47501068 16.50689763 -11.73910162
-0.00004984 -0.00003536 -0.00003595
-0.02172524 -0.00948453 0.01602122
14.04176090 4.56579305 -0.77612765
0.00016954 -0.00025369 0.00034500
-0.03066595 0.01663618 0.01116177
-5.61911369 11.86719235 -1.30054431
-0.00026867 -0.00009269 -0.00008507
0.00694599 0.02115737 -0.02900767
8.26047496 11.62919974 4.95770908
0.00026328 -0.00053541 -0.00012484
0.00613376 0.03887639 -0.00552916
19.85646747 -11.18710440 -10.45180237
0.00004369 -0.00008964 -0.00027478
-0.02064460 0.02400090 0.01092056
19.17865478 -5.89117333 -0.23690478
0.00026830 0.00025708 0.00010241
-0.01621565 0.00639195 -0.01734291
15.97859404 7.65512805 9.59615300
-0.00015000 -0.00024803 0.00002255
0.00013306 0.00370036 0.01233400
3.86799468 -14.55662726 16.60057423
-0.00007735 -0.00026616 -0.00010261
0.01339094 -0.01528394 -0.02116302
-3.56488662 -2.49493000 -13.83339965
-0.00048978 -0.00020373 -0.00038000
0.00491113 -0.01123566 0.00108196
16.18690037 -6.63306742 -13.29767764
0.00024748 0.00053732 0.00029639
-0.00394913 -0.00624605 -0.00265155
10.61027157 -4.36638331 6.42850141
-0.00002318 -0.00024476 0.00033806
-0.02089515 -0.00349256 -0.02106980
-19.52950754 0.80709984 25.02582598
0.00002472 -0.00000508 0.00031989
0.00903700 0.05489075 0.01973882
24.06904218 -0.76735833 -7.48403711
-0.00003347 0.00003285 0.00027635
-0.00962320 0.00623502 -0.02654005
11.48955782 -9.77431862 -11.23424910
0.00002346 0.00012393 0.00006197
-0.01905443 -0.01154742 -0.00709949
-9.72080281 -9.93561738 16.59761162
-0.00014002 -0.00009281 0.00028241
0.02911116 0.00187547 -0.01232833
7.35691431 0.25391114 -28.57124748
-0.00003015 -0.00036857 -0.00006431
0.01475484 -0.00912605 0.00071874
12.58945272 17.76225445 12.23107233
-0.00005017 -0.00000843 0.00007253
-0.01190408 0.00267910 0.01633691
25.90999968 7.38376659 -11.12584668
0.00000085 0.00019815 -0.00014890
0.03468207 0.01237029 0.01387201
3.63151726 -29.88640146 -4.88497657
0.00003927 -0.00006859 -0.00000292
0.01099497 0.00037399 0.00701004
3.40386657 -30.80762114 -2.03013935
-0.00019802 0.00015814 -0.00006313
0.00257981 0.00182992 -0.02571160
-9.72662810 3.33691317 -8.73779739
0.00091678 -0.00017844 -0.00002992
-0.02499250 -0.02028989 -0.00888629
-11.48309123 2.66433849 -11.17838681
-0.00051485 -0.00016492 -0.00027763
0.00308703 -0.00025883 0.02288846
-37.02218531 3.53979389 3.09853778
0.00078707 -0.00068411 -0.00009995
-0.00169650 -0.00978846 0.00689391
-38.91980189 1.40107857 3.58907638
-0.00102120 0.00046305 0.00049154
0.01912748 -0.00510342 0.00702869
-8.90310070 -3.82997432 1.61460283
-0.00089641 -0.00042373 0.00051070
0.00213478 -0.00915994 0.00920296
-6.31515919 -4.66736760 2.63896757
0.00016426 0.00010696 0.00001736
-0.00224276 -0.00147132 0.00239791
3.46830374 -1.24115591 9.08902468
-0.00087964 0.00051865 0.00033565
0.01297164 -0.01090339 -0.00867076
1.99905406 1.17137462 8.33613024
-0.00088550 -0.00027187 -0.00054033
0.00267778 -0.01620750 0.02380363
-30.86475137 -0.38000553 3.75605466
0.00001579 0.00094948 0.00027102
-0.00081680 -0.01142994 -0.00248191
-33.04975797 1.61445624 3.11950443
-0.00060563 0.00000694 0.00056747
0.01764430 -0.01471624 0.01000287
15.53391926 11.85907637 -18.47472207
-0.00018601 -0.00114769 -0.00143962
-0.01896683 0.00644942 0.00070337
17.88475287 12.29894352 -17.25800234
0.00042023 -0.00029292 -0.00012702
0.01174694 0.00172327 0.00697892
-2.95678692 6.48898758 5.20125891
0.00041135 -0.00009227 -0.00042938
0.01203399 0.02569131 0.01060073
-3.83592841 5.56898984 2.64426309
-0.00035967 0.00068479 -0.00077307
0.01614355 -0.00687178 0.01973352
5.75940040 16.78267211 -7.96908162
0.00093808 -0.00003226 -0.00094880
0.00737611 -0.00507670 -0.02165383
5.92671752 18.85316045 -5.95794933
-0.00032581 0.00052140 0.00134415
-0.02465987 -0.03230353 -0.01098152
8.72103332 6.48057695 -22.80298189
0.00117756 -0.00044893 0.00048569
0.00476597 0.00038816 0.00060039
9.71192601 7.44943375 -19.93293841
-0.00007374 -0.00020185 -0.00000994
-0.01496833 -0.00099068 -0.02797373
19.47165568 20.07431945 -3.89214910
0.00052192 0.00095073 0.00006872
0.00695759 -0.00617172 -0.03617220
20.80527184 19.60361980 -6.69395863
0.00064315 0.00006736 0.00011638
-0.01662017 -0.00136911 0.03204397
2.04096400 12.98084383 -20.82099196
-0.00001620 0.00006458 -0.00005223
-0.01791451 0.00850688 0.00450058
0.40764654 15.41722610 -21.91217240
0.00069143 -0.00026979 -0.00011258
-0.01291378 -0.01495618 0.00392417
9.78247758 -7.20235520 -0.50633184
0.00008699 0.00020001 0.00026630
0.01010910 0.03315776 0.00659335
9.23611164 -4.20868970 -0.40825968
0.00002321 -0.00027191 0.00022775
0.01715028 -0.01739211 0.00461648
-16.96559154 -6.45049824 6.40160623
-0.00006065 -0.00058788 -0.00022987
-0.01101906 0.00186858 0.00152226
-18.01366828 -5.40254819 3.73385399
-0.00065480 0.00067994 -0.00013210
0.00584049 -0.01072188 0.01227865
-14.29354339 -0.92348880 18.96538047
0.00027470 -0.00003574 -0.00109832
-0.00539209 0.00450854 0.02158936
-15.00533985 -0.32098552 21.93308247
-0.00042293 0.00062116 -0.00024371
0.00612048 -0.00927639 -0.01767283
-0.17479636 2.93903717 -3.56509514
0.00046141 -0.00016682 -0.00008931
-0.01848162 0.00311560 0.03054290
0.82432620 2.24472876 -5.89653434
0.00009523 -0.00022836 -0.00026211
0.01477407 -0.00353572 -0.01574287
20.21198934 -9.09063389 -5.63158064
-0.00079500 -0.00025792 0.00041077
-0.00364326 0.00494430 -0.01851372
22.71398477 -9.56166220 -4.33608492
-0.00054376 0.00045112 0.00111719
0.04903022 -0.00022256 -0.00610637
4.60152403 -11.29746226 6.47230284
0.00154572 -0.00026880 0.00062978
-0.02110790 0.00807791 -0.00547011
2.54570707 -11.60800261 8.38589571
-0.00020647 0.00003845 0.00078887
-0.00313696 -0.00295781 0.01633159
-2.65729263 -3.05332316 -20.39748106
-0.00061858 -0.00078475 -0.00119575
0.00027598 -0.00830525 0.00519843
-2.60537564 -1.38521753 -17.89065070
-0.00008867 0.00012195 -0.00016666
-0.00002598 -0.00693566 -0.00850199
1.08491470 5.60516703 -11.24576980
0.00090406 0.00081319 -0.00112053
0.02739344 0.00829137 -0.00043443
-0.83966469 4.17579103 -9.58699859
-0.00054965 0.00008747 0.00004897
-0.00226276 0.02293127 -0.04220500
-4.04437349 16.45951270 14.82174829
0.00015015 0.00164195 0.00082254
-0.00004208 -0.00137664 -0.00726677
-6.63943317 15.88800547 13.85833386
-0.00005258 0.00073143 -0.00039105
-0.00329837 -0.00139748 -0.00132866
-5.57129403 2.04140217 -6.42374406
0.00049120 0.00012053 0.00014760
0.00130248 -0.00005385 -0.00958782
-5.66368131 2.31568714 -9.39009574
0.00020784 -0.00093263 -0.00075066
0.00618497 0.00000539 0.00217086
-9.49841892 -1.53265624 -4.22018319
0.00069551 -0.00046503 -0.00081669
0.01182036 0.02972987 0.00014408
-9.38433391 1.36325702 -3.25295228
0.00042518 -0.00096499 -0.00012347
0.00722469 -0.02125083 -0.01766647
2.45744042 29.06479042 4.46811609
-0.00009443 0.00035967 -0.00107456
-0.01257681 0.02275191 -0.01431812
2.65991499 28.50473313 7.42431911
-0.00069842 -0.00130358 -0.00016574
-0.00040066 -0.00060237 -0.01916108
7.38762441 -10.21122980 -3.08148257
0.00004670 0.00045122 0.00044927
-0.04821895 -0.00178654 -0.03278249
8.76257719 -10.94764973 -0.85130283
0.00038067 0.00022893 -0.00036548
0.00780634 -0.01000871 0.01287784
-5.38747954 -0.27597255 9.59065469
-0.00040350 -0.00125907 0.00036090
-0.00512131 0.02069046 -0.00573994
-8.08909771 0.79981707 10.04258079
0.00079602 -0.00032004 -0.00035128
-0.00600884 0.00037788 -0.00017133
19.35986510 9.46239460 7.89539632
-0.00033106 0.00052396 0.00023323
-0.00098739 0.00231165 -0.00301677
21.53941982 10.38455256 5.99323388
0.00045496 0.00001929 0.00022733
-0.04715065 -0.02581792 0.00337260
-2.84969930 0.39239673 -22.54545952
-0.00061688 0.00081551 -0.00113958
-0.00563216 0.00128118 -0.00746238
-5.27025356 0.68024386 -24.27137418
-0.00128000 -0.00053540 -0.00057244
0.02216350 -0.00137213 -0.00282693
-12.69660672 9.48935856 10.67781400
-0.00038954 0.00035970 -0.00002317
-0.00027386 -0.00319740 -0.00104053
-13.41028363 9.53564799 7.97203178
-0.00002266 0.00049143 -0.00013779
-0.01002070 -0.01202709 0.00916965
-13.76001880 4.22207697 -4.79247379
-0.00015525 0.00103068 0.00012445
0.00005390 -0.02225027 -0.01340056
-14.93204048 6.86637602 -4.92215760
0.00000407 -0.00033244 -0.00057392
-0.01140716 -0.00420236 0.00006601
-5.31535086 -16.16900217 21.35242215
0.00028866 0.00039635 -0.00024515
0.00000327 0.00222350 -0.01353793
-3.01736902 -15.48791958 19.54374673
0.00012390 0.00038002 0.00044615
-0.00970697 0.00034288 0.01005102
-6.51110214 6.69337860 -6.51760045
-0.00019702 -0.00035138 -0.00041095
0.00467264 0.01450079 0.00355658
-7.24569556 9.38220833 -5.36529596
-0.00103349 0.00003489 0.00008289
-0.01304107 0.00262708 0.00432475
-20.64277247 31.08560508 -0.17971709
-0.00069046 0.00005015 0.00027935
0.00035291 -0.01012400 0.01045266
-18.06349724 30.76641885 1.06693545
-0.00054913 -0.00064322 -0.00074203
0.01947776 -0.00241120 -0.00076744
9.15949336 2.96600035 6.72736026
-0.00073364 0.00033582 -0.00038806
0.02282421 0.00952292 0.03480817
9.93969966 5.33100167 8.38722954
-0.00006393 -0.00080393 -0.00020241
-0.01150385 0.02837214 0.00570643
8.51715450 17.77764477 -12.47377665
-0.00005926 0.00083290 0.00048495
0.01103148 0.00514397 -0.01028849
8.66715240 15.23742363 -11.20140756
-0.00054330 0.00000748 -0.00024276
0.00312806 -0.00073149 -0.00166338
12.76588762 5.58660585 0.16107180
-0.00085697 0.00014159 0.00057942
0.01517430 0.00522937 -0.02418195
14.27289546 3.49550442 0.65107282
0.00024910 -0.00028579 0.00051476
0.01228925 -0.03157618 0.01679516
-4.45705912 11.67134565 -2.82003770
-0.00114805 0.00069689 0.00032659
-0.01680208 -0.00998785 0.04412222
-5.57497674 10.40089891 -0.20333065
0.00017352 -0.00073765 -0.00039367
0.01000844 -0.00208839 -0.01592653
7.89933427 13.50590653 4.71755258
-0.00014098 -0.00179402 0.00018895
0.00447477 -0.03496059 0.00553141
10.06420370 11.44549599 4.50030723
0.00028238 -0.00007023 0.00016871
-0.01375694 -0.00339262 0.00287357
18.55456653 -11.48000438 -9.16211244
0.00116024 0.00114857 -0.00004777
0.00993541 0.00276710 -0.00663457
20.60484723 -12.78054622 -10.67364584
-0.00042394 0.00090852 0.00026426
0.01452392 -0.03061201 0.00077898
18.84306747 -5.18293199 -1.92489434
-0.00002441 0.00053776 0.00099930
0.01171466 -0.00593822 0.01175702
18.13217098 -7.44747288 -0.34824341
-0.00018170 0.00003197 -0.00009407
0.00478581 -0.00261082 0.00751024
15.22612470 9.30653928 9.33797238
-0.00068943 0.00005855 -0.00017774
0.00115639 -0.00708708 0.00470373
16.53100688 7.54693402 11.36350760
0.00039695 0.00057102 0.00008846
-0.00792270 0.00381863 -0.01428263
2.66143248 -15.78388460 17.26550051
-0.00015257 0.00059847 0.00140139
-0.00108044 0.00140388 0.00029173
3.57081228 -12.89969205 17.17807376
-0.00104481 -0.00032222 0.00072286
-0.01080797 0.02334925 0.01029546
-4.02206167 -4.32950362 -13.54927971
-0.00029771 -0.00033062 -0.00026193
-0.00565358 0.01952352 -0.00374843
-1.82474118 -2.31285909 -13.34378144
-0.00015727 0.00009124 -0.00002863
0.00354193 0.00289606 0.00203703
16.07922538 -7.47886802 -14.94900518
-0.00021562 0.00059333 0.00022539
-0.00208122 -0.00371462 -0.00719041
17.12918427 -7.72597406 -12.17766142
0.00047541 0.00009862 0.00063281
0.00196339 0.00096491 0.00355227
9.66972756 -4.55341328 4.83035323
-0.00041205 0.00047124 0.00016545
-0.01095019 0.00594059 0.02046154
12.17853040 -4.78771336 5.67092845
-0.00061983 0.00060683 0.00044863
0.03160917 0.00155590 0.00229673
-21.05621164 0.02774798 24.56932789
-0.00011643 0.00072405 -0.00011114
-0.02631719 -0.02482641 -0.00639780
-20.10299694 2.49774948 25.69297843
-0.00042853 0.00017011 -0.00115465
0.01008696 -0.02326449 -0.00870964
24.64480308 -2.50028314 -7.24993427
-0.00059092 0.00018998 0.00025944
0.00692693 0.00027995 0.00146652
24.13178344 -0.46643903 -9.36745203
-0.00003052 -0.00063306 -0.00028108
-0.00097059 -0.00183652 0.02169197
12.55122556 -10.19275236 -9.87130496
-0.00017293 -0.00056172 0.00035223
0.01376637 -0.00420282 0.02941858
12.41413090 -8.50411881 -12.08582037
0.00024290 0.00024848 -0.00000714
0.00821274 0.01691426 -0.01624624
-9.37004301 -9.11935079 18.17858722
-0.00006245 0.00021082 0.00056850
-0.00066874 0.00033303 0.00533725
-11.48443283 -10.12508933 16.55773341
0.00058900 0.00158652 0.00048406
-0.02145602 -0.00085376 0.00565563
8.46947936 0.55329111 -30.03884191
-0.00050819 -0.00098110 -0.00070192
-0.00075259 0.00642269 0.01146068
5.73316559 0.94379240 -28.93295095
0.00044635 -0.00065726 -0.00073303
-0.01419127 0.00173184 -0.00471059
12.47309044 19.56208228 12.47049598
-0.00025419 0.00091606 0.00036928
0.00296333 0.00040013 -0.00089777
13.93816659 17.41868015 11.08243727
-0.00042707 -0.00073034 -0.00119654
0.01044304 0.00363523 -0.01539671
27.72304942 7.69142237 -11.66493613
0.00060924 0.00024168 0.00063449
-0.02095680 -0.00486377 0.00173972
26.02599260 7.49524425 -9.24936408
-0.00023109 -0.00089721 -0.00020433
-0.00590067 0.00035486 -0.01327314
-7.18091971 4.59614494 6.69835506
0.00028534 -0.00005369 -0.00003272
-0.00078529 -0.00760255 -0.00477071
-8.98869465 8.75362671 3.87107042
0.00023193 -0.00006682 0.00003109
-0.00246863 -0.00963019 -0.00323320
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07902022
0.30091045
400.94808373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3392078538 (a.u.)
total exchange computation time: 3.1883208752 s
-153.9694221956
-931.37338488
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3393427544 (a.u.)
total exchange computation time: 3.1905920506 s
-153.9696168373
Anderson extrapolation: theta=1.3525930029 (1.3525930029)
-931.37357704
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3394502122 (a.u.)
total exchange computation time: 3.1891798973 s
-153.9704832873
Anderson extrapolation: theta=0.0547644680 (0.0547644680)
-931.37369265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3393943851 (a.u.)
total exchange computation time: 3.1898589134 s
-153.9710483914
Anderson extrapolation: theta=1.9982519534 (1.9982519534)
-931.37369733
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3392631202 (a.u.)
total exchange computation time: 3.1884629726 s
-153.9722757381
Anderson extrapolation: theta=0.2352035538 (0.2352035538)
-931.37370263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3392273709 (a.u.)
total exchange computation time: 3.1890590191 s
-153.9725441657
Anderson extrapolation: theta=1.8601812837 (1.8601812837)
-931.37370374
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3391771264 (a.u.)
total exchange computation time: 3.1910679340 s
-153.9728635207
Anderson extrapolation: theta=0.2982034938 (0.2982034938)
-931.37370512
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3391782980 (a.u.)
total exchange computation time: 3.1873919964 s
-153.9727926587
Anderson extrapolation: theta=1.3140796213 (1.3140796213)
-931.37370546
73.106209 157.265511 -294.826215
547.340720 1079.611281 -416.164147
620.446929 1236.876792 -710.990361
1555.739658
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3391910024 (a.u.)
total exchange computation time: 3.1899130344 s
678.35725007
-1082.63100864
89.81096393
-389.84709350
-174.72462657
77.64370297
551.60419304
0.00000000
-931.37370571
3.73675890 -31.39996280 -3.83048633
-0.00037942 0.00042490 -0.00003779
-0.00430830 -0.00177397 0.01826312
-11.15215738 2.24064902 -9.32080844
-0.00009825 -0.00011627 -0.00003595
0.01950749 0.01686424 -0.01666175
-37.10578190 1.87781823 3.93672184
0.00027957 0.00023779 0.00014069
-0.00554404 0.01429795 -0.01513530
-7.73825108 -3.60171419 3.05044260
0.00008556 -0.00013696 -0.00024756
-0.00235174 0.00280461 -0.01302004
2.24375977 -0.09590804 9.71269039
0.00033114 0.00010056 -0.00008138
-0.02229691 0.03231146 -0.01815699
-31.24018519 1.38345003 3.51454738
-0.00006902 -0.00015443 -0.00001696
-0.01913417 0.03668107 -0.01056553
16.40794115 13.28496878 -17.70639669
0.00014463 -0.00005547 0.00015526
0.00675060 -0.00987884 -0.00949925
-3.22767217 4.95855648 4.30425504
-0.00012184 -0.00019762 -0.00046622
-0.02476028 -0.02205618 -0.03791541
4.82890973 17.35962810 -6.53838134
-0.00009667 0.00003023 -0.00015266
0.02429784 0.03469473 0.01825838
8.28184280 7.20693803 -21.16683813
0.00004734 0.00055847 -0.00017080
0.00411728 0.00234038 0.02184542
19.68161988 18.85178232 -5.36717186
0.00054806 -0.00015539 -0.00000514
0.00777002 0.01682321 0.00578837
2.02921004 14.69729139 -21.44194123
-0.00015225 -0.00009906 0.00010737
0.03278738 0.00236206 -0.00186991
10.49757217 -5.54117266 0.10913135
-0.00000472 -0.00006055 -0.00022440
-0.01794927 -0.00287277 -0.00777335
-16.56751303 -5.53647784 4.88012901
0.00026775 -0.00006778 -0.00017355
-0.00006635 0.00547100 -0.01407845
-14.25145023 -1.53665547 20.74328162
0.00013420 -0.00007197 0.00012773
-0.00585965 0.01645877 -0.00852904
0.92440941 3.66664352 -4.75978424
-0.00044367 0.00004674 -0.00010972
0.00274249 -0.00236178 -0.01389654
20.97923001 -9.60450277 -4.10938813
-0.00012015 0.00016964 -0.00048756
-0.05906184 -0.01114766 0.02167814
2.80211004 -10.82753048 6.77671525
-0.00028317 0.00004291 -0.00023520
0.03345987 -0.00756773 -0.00296714
-1.76864754 -1.73523174 -19.48606919
-0.00016278 -0.00013064 0.00042084
-0.00603681 0.00522943 -0.00719227
-0.61791862 5.07985879 -11.28375171
0.00004319 0.00028079 0.00005054
-0.03048060 -0.02916249 0.04319962
-4.89582529 15.47829822 13.49045083
-0.00000960 -0.00011501 0.00011214
0.00967280 0.00842260 0.03559593
-4.95818393 3.05761089 -7.83582490
0.00000813 0.00015505 -0.00048571
-0.00805839 0.00144384 0.00926418
-8.65634325 0.12997183 -4.48354315
0.00001097 -0.00013294 0.00037389
-0.01094550 -0.00843525 0.01867896
2.93626922 27.88178847 5.70807654
0.00013258 -0.00017054 0.00004789
0.01041063 -0.02589471 0.02167014
8.70401669 -9.63630032 -2.10115388
-0.00011380 0.00015689 -0.00002103
0.03629004 0.00325784 0.02811410
-6.37301577 1.37079772 9.84136687
0.00024675 0.00029059 0.00039188
0.01318871 -0.02843400 -0.00086504
19.72395232 9.59002329 6.08944496
0.00001556 -0.00020482 -0.00048097
0.05567495 0.03215944 0.00704621
-3.39188407 0.65633804 -24.30327084
0.00016803 -0.00017164 0.00019382
-0.02628651 -0.00231868 0.00269255
-13.62258691 8.42997184 9.49076332
-0.00007727 -0.00001075 -0.00007158
0.00659089 0.01880547 -0.01637852
-13.85840048 5.77127596 -3.93199506
0.00026390 -0.00018856 0.00004706
0.01262403 0.02920909 0.01890228
-3.80761418 -15.10978417 21.16605871
-0.00001010 0.00008460 0.00015299
0.01396646 -0.00156025 0.00219562
-6.26758730 8.53113930 -6.61005396
-0.00025120 0.00021331 0.00038042
0.01363959 -0.02280952 -0.01705457
-19.77931233 30.26104782 1.22669330
0.00011606 0.00026530 0.00021418
-0.02445302 0.01100746 -0.01344774
10.33831702 3.60675624 8.16538888
-0.00010855 0.00029012 0.00001915
-0.01668091 -0.04716966 -0.04560918
7.47417923 16.50633058 -11.73957913
-0.00006117 -0.00003902 -0.00002829
-0.02230874 -0.00473113 0.01379933
14.04418577 4.56205187 -0.77090953
0.00015287 -0.00024457 0.00035168
-0.03418756 0.01883555 0.01481066
-5.62311695 11.86588361 -1.30193227
-0.00026592 -0.00008209 -0.00009846
0.00374978 0.02006484 -0.02305016
8.26444774 11.62131859 4.95581513
0.00026651 -0.00051704 -0.00012736
0.00643790 0.03255446 -0.00427108
19.85704318 -11.18835636 -10.45588188
0.00003300 -0.00007471 -0.00026989
-0.02091852 0.03405284 0.00806222
19.18261673 -5.88729241 -0.23543548
0.00025971 0.00025936 0.00009450
-0.01719396 0.00244275 -0.01344534
15.97634452 7.65142184 9.59653883
-0.00015025 -0.00024516 0.00002903
-0.00108361 0.00745259 0.01285009
3.86688613 -14.56067866 16.59895347
-0.00007105 -0.00027302 -0.00011274
0.01110912 -0.01139048 -0.01821922
-3.57221439 -2.49802927 -13.83909552
-0.00048640 -0.00020926 -0.00037912
0.00824016 -0.01027527 0.00233371
16.19059731 -6.62503167 -13.29324203
0.00024591 0.00053339 0.00029555
-0.00213558 -0.00905281 -0.00059890
10.60984331 -4.37006814 6.43349108
-0.00003553 -0.00024614 0.00032751
-0.02715983 -0.00189831 -0.01995596
-19.52910184 0.80723530 25.03070050
0.00002933 0.00002296 0.00032985
0.00887362 0.05418342 0.01899414
24.06850307 -0.76684146 -7.47999429
-0.00003856 0.00003658 0.00026195
-0.01019189 0.00825731 -0.02945613
11.48983626 -9.77250424 -11.23334686
0.00001430 0.00011821 0.00005855
-0.01656199 -0.01069573 -0.00623270
-9.72279084 -9.93700233 16.60180029
-0.00012297 -0.00009125 0.00027704
0.03721197 0.00418680 -0.00858298
7.35651903 0.24834736 -28.57220938
-0.00002180 -0.00037346 -0.00006414
0.01769392 -0.00989117 -0.00003590
12.58865418 17.76213838 12.23222330
-0.00005553 -0.00000560 0.00008045
-0.00891502 0.00830783 0.01447815
25.91014622 7.38678661 -11.12802673
0.00001911 0.00020452 -0.00014193
0.03631884 0.01236775 0.01322808
3.63244324 -29.88741891 -4.88480554
0.00008347 -0.00006150 0.00002204
0.01064282 0.00309909 0.00520855
3.40097531 -30.80519295 -2.03187426
-0.00018740 0.00016662 -0.00016708
0.00261822 0.00231890 -0.02517200
-9.71364227 3.33361482 -8.73851855
0.00080822 -0.00026568 -0.00006932
-0.02814575 -0.02241452 -0.01039937
-11.49071944 2.66185671 -11.18184994
-0.00050054 -0.00016587 -0.00018184
0.00391853 -0.00020692 0.02400491
-37.01043131 3.52923222 3.09724982
0.00077988 -0.00071545 -0.00007588
-0.00182039 -0.00554884 0.00488823
-38.93453378 1.40786797 3.59666493
-0.00093214 0.00044476 0.00052167
0.02446621 -0.00385092 0.00771846
-8.91648142 -3.83661096 1.62254531
-0.00088549 -0.00046175 0.00054820
0.00320976 -0.00945203 0.00915602
-6.31276395 -4.66580831 2.63930143
0.00015556 0.00009942 0.00002580
-0.00201621 -0.00221678 0.00173495
3.45550666 -1.23371029 9.09379375
-0.00081151 0.00045992 0.00029201
0.02037970 -0.01784653 -0.01269148
1.98585363 1.16679992 8.32875469
-0.00087339 -0.00033974 -0.00044096
0.00325083 -0.01701404 0.02484052
-30.86453949 -0.36611355 3.76004398
0.00001516 0.00088716 0.00026289
0.00050421 -0.01907910 -0.00149913
-33.05830176 1.61410936 3.12832305
-0.00052826 -0.00005438 0.00060915
0.02022708 -0.01530129 0.01039585
15.53054789 11.84205863 -18.49629477
-0.00025182 -0.00110401 -0.00142590
-0.01324641 0.01493371 0.00601098
17.89141624 12.29460252 -17.25969384
0.00046384 -0.00028407 -0.00009956
0.00960031 0.00260777 0.00646722
-2.95024784 6.48839077 5.19514312
0.00046009 0.00000934 -0.00038737
0.01182337 0.02404790 0.00995983
-3.84082871 5.57905118 2.63327173
-0.00029131 0.00065358 -0.00068596
0.01731623 -0.00840616 0.02290705
5.77369763 16.78203264 -7.98397709
0.00095888 -0.00004496 -0.00102093
0.00280723 -0.00113821 -0.01365761
5.92107478 18.85999159 -5.93812361
-0.00042896 0.00038363 0.00129462
-0.02583612 -0.03513837 -0.01326190
8.73884273 6.47385489 -22.79567820
0.00119467 -0.00044624 0.00048895
0.00361062 0.00092643 0.00099727
9.71036122 7.44637564 -19.93394477
-0.00013465 -0.00020484 -0.00012211
-0.01484866 -0.00047538 -0.02693017
19.47969774 20.08839123 -3.89222667
0.00055009 0.00092001 -0.00008287
0.00682916 -0.00886556 -0.03803500
20.81440975 19.60458821 -6.69123102
0.00057521 0.00006112 0.00024629
-0.01663375 -0.00168327 0.03154831
2.04017203 12.98207315 -20.82163754
-0.00008945 0.00009634 -0.00003268
-0.01794240 0.00704155 0.00507297
0.41762229 15.41272092 -21.91374086
0.00062898 -0.00032669 -0.00009904
-0.01765475 -0.01289620 0.00270422
9.78409216 -7.19833893 -0.50213532
0.00012640 0.00033091 0.00029154
0.00918233 0.03091801 0.00576368
9.23698535 -4.21330134 -0.40470193
0.00009086 -0.00034022 0.00024544
0.01596231 -0.01604402 0.00404054
-16.96683898 -6.45925913 6.39820486
-0.00010448 -0.00057772 -0.00022724
-0.01043650 0.00310393 -0.00023456
-18.02331130 -5.39267762 3.73224881
-0.00062250 0.00063524 -0.00007596
0.00996913 -0.01115918 0.01519913
-14.28958814 -0.92388672 18.94956723
0.00025295 -0.00002144 -0.00099731
-0.00525576 0.00249008 0.02785723
-15.01149630 -0.31195239 21.92888532
-0.00039549 0.00057930 -0.00031910
0.00731159 -0.01121304 -0.01923253
-0.16844160 2.93663033 -3.56549892
0.00038163 -0.00015751 0.00003993
-0.02056748 0.00144125 0.03272121
0.82620729 2.24119505 -5.90094847
0.00015543 -0.00023900 -0.00032318
0.01469424 -0.00167159 -0.01414701
20.19995271 -9.09435117 -5.62598643
-0.00081144 -0.00023459 0.00032641
-0.00440612 0.00647555 -0.02278124
22.70733076 -9.55490220 -4.31951413
-0.00033389 0.00045206 0.00108883
0.05370388 0.00068205 -0.00777776
4.62406303 -11.30124679 6.48158189
0.00144003 -0.00023131 0.00060990
-0.03062816 0.01027499 -0.00426186
2.54251387 -11.60751652 8.39822917
-0.00021710 0.00003258 0.00084206
-0.00206801 0.00008490 0.00970854
-2.66656293 -3.06534894 -20.41525794
-0.00060768 -0.00080345 -0.00116257
0.00506346 -0.00084626 0.01104089
-2.60670652 -1.38360075 -17.89341110
-0.00009319 0.00009395 -0.00019532
-0.00218572 -0.00677428 -0.00552902
1.09931499 5.61761896 -11.26259110
0.00099911 0.00084067 -0.00111986
0.01913664 0.00516196 0.00076277
-0.84797874 4.17780570 -9.58755726
-0.00055579 0.00018248 -0.00012413
-0.00074627 0.02357876 -0.04252950
-4.04212250 16.48409978 14.83386370
0.00014197 0.00162592 0.00077971
-0.00396474 -0.00647221 -0.01369767
-6.64032288 15.89893412 13.85242742
-0.00006464 0.00072505 -0.00039715
-0.00260501 -0.00172514 -0.00165782
-5.56388609 2.04320843 -6.42182381
0.00049802 0.00012306 0.00010425
0.00203503 0.00129463 -0.01163430
-5.66037414 2.30169778 -9.40128907
0.00023508 -0.00092955 -0.00073653
0.00714892 0.00150364 0.00474317
-9.48762403 -1.53872074 -4.23242906
0.00074179 -0.00034523 -0.00081436
0.01083441 0.02891458 0.00099555
-9.37773475 1.34813091 -3.25534563
0.00044837 -0.00104365 -0.00018665
0.00412338 -0.01725053 -0.01326060
2.45563865 29.07088262 4.45155891
-0.00014022 0.00043848 -0.00111659
-0.00983990 0.01582792 -0.00625365
2.64942648 28.48516096 7.42124587
-0.00070121 -0.00130193 -0.00023840
-0.00096613 0.00141263 -0.01640621
7.38684735 -10.20451623 -3.07574813
-0.00015650 0.00044115 0.00031092
-0.05124745 -0.00314431 -0.03493640
8.76852647 -10.94452242 -0.85639034
0.00041269 0.00018516 -0.00031050
0.00786708 -0.01142052 0.01403238
-5.39368901 -0.29422461 9.59589232
-0.00042497 -0.00116617 0.00033754
-0.00538768 0.02478349 -0.00569400
-8.07734160 0.79502805 10.03730627
0.00076351 -0.00031838 -0.00035085
-0.00990223 0.00043520 0.00038358
19.35486899 9.47032490 7.89880229
-0.00033371 0.00053340 0.00021081
-0.00031060 0.00230968 -0.00795547
21.54479939 10.38405079 5.99674717
0.00026006 -0.00008733 0.00023988
-0.04825462 -0.02637573 0.00276891
-2.85912515 0.40466866 -22.56278190
-0.00063344 0.00081724 -0.00114794
-0.00247042 -0.00043625 0.00336814
-5.28877444 0.67217077 -24.28004742
-0.00117200 -0.00054119 -0.00058381
0.03070604 -0.00145831 -0.00273874
-12.70245825 9.49465604 10.67743455
-0.00039099 0.00034562 -0.00002779
-0.00043705 -0.00369186 -0.00122007
-13.41093054 9.54265094 7.97024597
-0.00006419 0.00043942 -0.00009772
-0.01031017 -0.01343450 0.01044239
-13.76234595 4.23685528 -4.79101762
-0.00015265 0.00092062 0.00006041
0.00121879 -0.03162484 -0.01794764
-14.93232901 6.86126066 -4.93076430
-0.00003867 -0.00035151 -0.00056870
-0.00951419 -0.00513512 0.00248890
-5.31102093 -16.16298881 21.34833011
0.00028403 0.00040228 -0.00029955
-0.00226884 0.00067986 -0.01309227
-3.01580798 -15.48220870 19.55074690
0.00008600 0.00038072 0.00048333
-0.00884526 -0.00000222 0.00815073
-6.51391429 6.68855226 -6.52365576
-0.00017753 -0.00028528 -0.00039620
0.00486809 0.01785316 0.00366313
-7.26159747 9.38281211 -5.36392007
-0.00108567 0.00004374 0.00009870
-0.01250359 0.00170918 0.00341146
-20.65311860 31.08604707 -0.17520653
-0.00068720 0.00000745 0.00032480
0.00124406 -0.01077744 0.01179692
-18.07113726 30.75669663 1.05578155
-0.00045649 -0.00064914 -0.00074676
0.02586904 -0.00048737 -0.00154779
9.14918813 2.97132947 6.72260601
-0.00063742 0.00037525 -0.00024266
0.02427688 0.00977796 0.03636358
9.93838815 5.31981216 8.38436828
-0.00011451 -0.00066972 -0.00017627
-0.01325216 0.03732178 0.00708901
8.51660369 17.79029585 -12.46681769
-0.00001801 0.00084782 0.00044634
0.00916006 0.00216201 -0.00861193
8.65909872 15.23751337 -11.20509989
-0.00052552 0.00000059 -0.00024804
0.00557722 -0.00264045 -0.00092427
12.75349810 5.58888992 0.16902213
-0.00078546 0.00015535 0.00047565
0.01982980 0.00150757 -0.02661654
14.27700855 3.49024994 0.65930894
0.00029792 -0.00041142 0.00058064
0.01160630 -0.02991870 0.01545090
-4.47479475 11.68149294 -2.81378681
-0.00120975 0.00065421 0.00049754
-0.01339978 -0.01090198 0.03955720
-5.57206724 10.38977011 -0.20972372
0.00021432 -0.00074172 -0.00046181
0.00996373 0.00010017 -0.01742807
7.89735668 13.47792489 4.72055629
-0.00012474 -0.00192307 0.00020963
0.00347620 -0.02821127 0.00459258
10.06801791 11.44433857 4.50292587
0.00022782 -0.00008464 0.00017998
-0.01295496 -0.00366074 0.00264552
18.57227457 -11.46269106 -9.16303232
0.00119228 0.00115810 -0.00006710
0.00575000 0.00189847 -0.00282593
20.59893325 -12.76785642 -10.66965802
-0.00035559 0.00076479 0.00026502
0.01893311 -0.03974640 -0.00040723
18.84306031 -5.17504761 -1.90954455
0.00002192 0.00051715 0.00103833
0.01096207 -0.00414761 0.00734834
18.12959207 -7.44707332 -0.34942437
-0.00015909 0.00002577 -0.00006260
0.00628231 -0.00042444 0.00789602
15.21581870 9.30720041 9.33545047
-0.00068151 0.00002274 -0.00015770
0.00271869 -0.01044467 0.00510276
16.53671830 7.55561633 11.36439684
0.00036384 0.00058610 0.00002832
-0.00828128 0.00356552 -0.01515602
2.65911076 -15.77486460 17.28653031
-0.00015529 0.00060188 0.00140007
-0.00025031 0.00026566 -0.00093951
3.55480888 -12.90380987 17.18923216
-0.00108521 -0.00023262 0.00076080
-0.00896506 0.02051070 0.00827511
-4.02670051 -4.33386468 -13.55332345
-0.00032086 -0.00025094 -0.00027713
-0.00567795 0.01947898 -0.00369412
-1.82699176 -2.31140168 -13.34414844
-0.00014990 0.00010228 -0.00002232
0.00006826 0.00250729 0.00105287
16.07592737 -7.47008194 -14.94584464
-0.00022354 0.00057778 0.00019668
-0.00179677 -0.00389335 -0.00686358
17.13637560 -7.72446517 -12.16806048
0.00047873 0.00010781 0.00064174
-0.00034097 0.00353374 0.00081953
9.66321131 -4.54616257 4.83346203
-0.00045481 0.00049506 0.00025216
-0.00998454 0.00571681 0.02197983
12.17020154 -4.77856323 5.67772825
-0.00047952 0.00061023 0.00045247
0.03707175 0.00010750 -0.00041455
-21.05876450 0.03784793 24.56746470
-0.00022432 0.00062037 -0.00013802
-0.02649747 -0.02592614 -0.00675757
-20.10911573 2.49958828 25.67539173
-0.00038679 0.00007871 -0.00118743
0.01034379 -0.02147846 -0.00733536
24.63615150 -2.49742488 -7.24599779
-0.00056074 0.00018650 0.00026670
0.00784640 -0.00198492 0.00208685
24.13129597 -0.47599125 -9.37100348
-0.00003497 -0.00063975 -0.00018827
-0.00121005 -0.00143768 0.02373822
12.54905344 -10.20130701 -9.86512008
-0.00011979 -0.00057678 0.00046706
0.01224469 -0.00316485 0.02679211
12.41802609 -8.49987328 -12.08642531
0.00027438 0.00031344 -0.00006992
0.00719641 0.01488100 -0.01448695
-9.37100023 -9.11617832 18.18727820
-0.00006486 0.00020923 0.00058426
-0.00050923 -0.00111071 0.00237886
-11.47625529 -10.10131764 16.56516762
0.00048426 0.00158125 0.00050561
-0.02981535 -0.00172850 0.00489467
8.46183344 0.53877149 -30.04901946
-0.00051055 -0.00095540 -0.00065291
-0.00040475 0.00615510 0.01252928
5.73942591 0.93398661 -28.94409072
0.00038175 -0.00064793 -0.00075231
-0.01742677 0.00283517 -0.00472545
12.46936841 19.57583539 12.47600760
-0.00023987 0.00090273 0.00036232
0.00404723 -0.00692269 -0.00250579
13.93208053 17.40783638 11.06401738
-0.00039240 -0.00071177 -0.00125232
0.00652816 0.00545573 -0.01191073
27.73154583 7.69489846 -11.65536548
0.00052061 0.00022134 0.00064048
-0.02242605 -0.00509148 0.00119421
26.02234537 7.48179703 -9.25283575
-0.00025571 -0.00089507 -0.00025655
-0.00615112 0.00069283 -0.01229145
-7.17664170 4.59531911 6.69785141
0.00028507 -0.00005641 -0.00003442
-0.00072222 -0.00756744 -0.00473420
-8.98521996 8.75260771 3.87153114
0.00023136 -0.00006905 0.00003032
-0.00244132 -0.00961517 -0.00336136
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07868209
0.29502362
393.10418808
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3320147548 (a.u.)
total exchange computation time: 3.2142109871 s
-153.9361639461
-931.36632124
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3321530284 (a.u.)
total exchange computation time: 3.2148120403 s
-153.9362268000
Anderson extrapolation: theta=1.3500790203 (1.3500790203)
-931.36652762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3322579346 (a.u.)
total exchange computation time: 3.2158930302 s
-153.9369270130
Anderson extrapolation: theta=0.0539154220 (0.0539154220)
-931.36665120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3321963253 (a.u.)
total exchange computation time: 3.2142229080 s
-153.9374975001
Anderson extrapolation: theta=1.9643883157 (1.9643883157)
-931.36665601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3320527451 (a.u.)
total exchange computation time: 3.2147881985 s
-153.9387270856
Anderson extrapolation: theta=0.2281858204 (0.2281858204)
-931.36666125
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3320128879 (a.u.)
total exchange computation time: 3.2148060799 s
-153.9389982297
Anderson extrapolation: theta=1.8323604185 (1.8323604185)
-931.36666229
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3319548152 (a.u.)
total exchange computation time: 3.2150969505 s
-153.9393267808
Anderson extrapolation: theta=0.2878817207 (0.2878817207)
-931.36666356
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3319531861 (a.u.)
total exchange computation time: 3.2160451412 s
-153.9392662217
Anderson extrapolation: theta=1.3014369642 (1.3014369642)
-931.36666387
73.121569 157.230675 -294.894287
547.277403 1079.640718 -416.176595
620.398972 1236.871392 -711.070882
1555.753041
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3319616171 (a.u.)
total exchange computation time: 3.2148411274 s
678.26031645
-1082.41494775
89.81942393
-389.99227409
-174.70722104
77.52471227
551.60419304
0.00000000
-931.36666412
3.73105092 -31.39359615 -3.83098279
-0.00038148 0.00042311 -0.00002815
-0.00368449 -0.00519279 0.01923299
-11.15355584 2.23897004 -9.32141202
-0.00008775 -0.00010726 -0.00004442
0.02131249 0.01816622 -0.01624755
-37.10160979 1.88144020 3.93877374
0.00027551 0.00024366 0.00013337
-0.01021188 0.00855049 -0.01333036
-7.73697679 -3.60375782 3.04667890
0.00008401 -0.00013524 -0.00025402
-0.00368508 0.00388190 -0.01207926
2.24864090 -0.09427498 9.71139968
0.00031779 0.00011891 -0.00008981
-0.02962503 0.03903943 -0.01462002
-31.24129433 1.38127504 3.51425225
-0.00007969 -0.00013363 -0.00002269
-0.02235900 0.04421112 -0.01173480
16.41013658 13.28409857 -17.70410439
0.00014731 -0.00006263 0.00014937
0.00369675 -0.01794036 -0.01341631
-3.22959534 4.95550706 4.29711555
-0.00013468 -0.00020796 -0.00048598
-0.02514799 -0.01815196 -0.03892405
4.82755339 17.36021534 -6.54060080
-0.00008287 0.00004758 -0.00014480
0.02936977 0.03276978 0.01230599
8.28256875 7.21532416 -21.16931587
0.00004957 0.00055939 -0.00016013
0.00454873 0.00123068 0.01966026
19.68987077 18.84951644 -5.36722655
0.00055195 -0.00014614 -0.00000157
0.00734196 0.01911602 0.00805922
2.02705271 14.69581466 -21.44033790
-0.00013423 -0.00009793 0.00010660
0.03730287 0.00203289 -0.00111048
10.49743209 -5.54209195 0.10573538
-0.00001323 -0.00006168 -0.00022791
-0.01514835 -0.00153320 -0.00587728
-16.56349702 -5.53747338 4.87747141
0.00026657 -0.00006517 -0.00018097
-0.00452983 0.00467388 -0.01475935
-14.24945987 -1.53767150 20.74516465
0.00013091 -0.00006263 0.00012222
-0.00692623 0.01985174 -0.01289893
0.91776500 3.66733554 -4.76148363
-0.00044192 0.00004534 -0.00011761
0.00405420 -0.00309525 -0.01677064
20.97719990 -9.60200123 -4.11661788
-0.00015093 0.00016337 -0.00047518
-0.06060877 -0.01321916 0.02644274
2.79799148 -10.82691603 6.77317574
-0.00026416 0.00003777 -0.00023525
0.04046906 -0.01241818 0.00277459
-1.77111252 -1.73717119 -19.47978429
-0.00016632 -0.00012977 0.00041494
-0.00772943 -0.00182813 -0.01575303
-0.61738830 5.08395822 -11.28282700
0.00002938 0.00026662 0.00007227
-0.02323274 -0.02597330 0.04131132
-4.89593203 15.47660556 13.49227027
-0.00000391 -0.00010940 0.00013203
0.01245139 0.01340555 0.04172431
-4.95809312 3.05994223 -7.84307475
0.00000359 0.00015519 -0.00048105
-0.00959085 -0.00091074 0.00883688
-8.65622089 0.12794520 -4.47786272
0.00000659 -0.00013809 0.00038200
-0.00610795 -0.01160563 0.01283736
2.93829812 27.87913050 5.70887842
0.00013741 -0.00018256 0.00005607
0.00837323 -0.02085011 0.01015547
8.70244972 -9.63393438 -2.10136090
-0.00009492 0.00015897 -0.00000669
0.03712933 0.00480735 0.02767177
-6.36926361 1.37504687 9.84724176
0.00025452 0.00027493 0.00039122
0.01703333 -0.03243982 -0.00172327
19.72440051 9.58707501 6.08225759
0.00004412 -0.00018827 -0.00047599
0.05536717 0.03221446 0.01233462
-3.38946507 0.65375457 -24.30035322
0.00015173 -0.00017244 0.00019202
-0.03709051 -0.00081448 -0.00967640
-13.62372055 8.42988308 9.48962637
-0.00007382 -0.00000067 -0.00008013
0.00684104 0.02040132 -0.01686872
-13.85439327 5.76856020 -3.93121620
0.00026964 -0.00017114 0.00005722
0.00968945 0.03853798 0.02059026
-3.80771178 -15.10852125 21.16836208
-0.00000256 0.00008438 0.00015457
0.01533440 0.00072223 0.00391873
-6.27130265 8.53425093 -6.60441344
-0.00024441 0.00020113 0.00037192
0.01275757 -0.02454874 -0.01602127
-19.77766572 30.26506976 1.22985417
0.00010188 0.00027065 0.00020724
-0.03069830 0.00979747 -0.01354316
10.33662440 3.61092615 8.16550022
-0.00011700 0.00026381 -0.00000488
-0.01617374 -0.05513966 -0.04785036
7.47317568 16.50572702 -11.73995018
-0.00007271 -0.00004017 -0.00002177
-0.02258881 0.00025519 0.01152540
14.04634689 4.55845600 -0.76557714
0.00013457 -0.00023462 0.00036030
-0.03695563 0.01984177 0.01869030
-5.62709128 11.86472966 -1.30349805
-0.00026498 -0.00007204 -0.00010854
-0.00009482 0.01901678 -0.01613827
8.26847019 11.61368859 4.95388822
0.00026989 -0.00050224 -0.00012918
0.00672360 0.02500270 -0.00279001
19.85745751 -11.18934561 -10.45989920
0.00002239 -0.00005495 -0.00026665
-0.02032726 0.04276208 0.00455688
19.18644604 -5.88339266 -0.23406991
0.00025068 0.00025958 0.00008871
-0.01791577 -0.00158169 -0.00905027
15.97408664 7.64777312 9.59702379
-0.00015111 -0.00024046 0.00003567
-0.00227294 0.01085634 0.01298635
3.86586329 -14.56481794 16.59719216
-0.00006600 -0.00027769 -0.00012124
0.00851398 -0.00676198 -0.01483406
-3.57947859 -2.50120781 -13.84477340
-0.00048131 -0.00021419 -0.00037762
0.01154768 -0.00889932 0.00349929
16.19427778 -6.61706577 -13.28881105
0.00024522 0.00052801 0.00029569
-0.00057090 -0.01185249 0.00113364
10.60920553 -4.37376762 6.43832679
-0.00005081 -0.00024677 0.00031756
-0.03225256 -0.00053214 -0.01875068
-19.52862768 0.80778877 25.03572155
0.00003357 0.00005031 0.00033926
0.00762433 0.05214163 0.01760676
24.06788534 -0.76626089 -7.47617872
-0.00004393 0.00004128 0.00024621
-0.01068996 0.01001667 -0.03173522
11.48998692 -9.77077236 -11.23249270
0.00000666 0.00011298 0.00005568
-0.01315009 -0.00962367 -0.00492602
-9.72449180 -9.93835498 16.60592275
-0.00010207 -0.00008859 0.00027356
0.04405565 0.00617533 -0.00495752
7.35626025 0.24270727 -28.57317156
-0.00001214 -0.00037867 -0.00006434
0.01987733 -0.01036147 -0.00074584
12.58778687 17.76208641 12.23348596
-0.00005928 -0.00000006 0.00008733
-0.00568182 0.01324345 0.01223964
25.91057295 7.38990205 -11.13010473
0.00003806 0.00021085 -0.00013533
0.03736422 0.01226316 0.01243832
3.63402149 -29.88824643 -4.88431531
0.00012630 -0.00004317 0.00003943
0.01032232 0.00587452 0.00330123
3.39824451 -30.80262265 -2.03515186
-0.00017678 0.00017729 -0.00026760
0.00258322 0.00290531 -0.02402925
-9.70238139 3.32894277 -8.73987705
0.00068841 -0.00036029 -0.00011415
-0.03050197 -0.02389616 -0.01154556
-11.49810750 2.65936226 -11.18384190
-0.00048303 -0.00016647 -0.00008237
0.00465322 -0.00008529 0.02468203
-36.99878887 3.51833049 3.09626144
0.00077230 -0.00072878 -0.00006047
-0.00189202 -0.00097812 0.00265509
-38.94776623 1.41442136 3.60472651
-0.00082279 0.00043120 0.00055419
0.02906314 -0.00278524 0.00819956
-8.92966543 -3.84382687 1.63104893
-0.00087042 -0.00050096 0.00058522
0.00416703 -0.00973851 0.00896528
-6.31049228 -4.66438488 2.63974162
0.00014787 0.00008881 0.00003157
-0.00174763 -0.00297700 0.00108745
3.44395857 -1.22735841 9.09778501
-0.00071420 0.00037359 0.00023239
0.02725081 -0.02441137 -0.01649122
1.97285243 1.16118250 8.32290153
-0.00085911 -0.00040981 -0.00033859
0.00373888 -0.01728494 0.02526661
-30.86429671 -0.35339085 3.76394142
0.00001996 0.00079441 0.00025879
0.00184599 -0.02632080 -0.00050693
-33.06560592 1.61282473 3.13777879
-0.00044183 -0.00011773 0.00065204
0.02208500 -0.01570666 0.01060017
15.52636470 11.82595613 -18.51749907
-0.00029545 -0.00102776 -0.00139122
-0.00811320 0.02238963 0.01096545
17.89866797 12.29042133 -17.26098900
0.00049823 -0.00027149 -0.00007439
0.00723630 0.00355209 0.00585270
-2.94298416 6.48926776 5.18963772
0.00050755 0.00010227 -0.00034913
0.01140518 0.02144222 0.00875931
-3.84466776 5.58859734 2.62368426
-0.00021889 0.00061661 -0.00058760
0.01813651 -0.00969270 0.02524364
5.78816690 16.78132342 -7.99970959
0.00096106 -0.00004186 -0.00106082
-0.00174406 0.00265371 -0.00586600
5.91384864 18.86466922 -5.91911067
-0.00053568 0.00023590 0.00123647
-0.02640157 -0.03717432 -0.01520507
8.75687342 6.46718961 -22.78831340
0.00120682 -0.00044116 0.00049411
0.00233771 0.00156382 0.00152985
9.70788641 7.44328841 -19.93660157
-0.00019410 -0.00020556 -0.00022897
-0.01424925 0.00012625 -0.02537906
19.48815832 20.10191967 -3.89463525
0.00057744 0.00087912 -0.00024059
0.00656201 -0.01114981 -0.03916741
20.82252824 19.60545345 -6.68656993
0.00050817 0.00005407 0.00037289
-0.01618448 -0.00176753 0.03042128
2.03828044 12.98373401 -20.82197223
-0.00016260 0.00012174 -0.00001068
-0.01786623 0.00539386 0.00569636
0.42651606 15.40742539 -21.91514358
0.00054763 -0.00037513 -0.00009049
-0.02217010 -0.01081514 0.00147983
9.78626950 -7.19242782 -0.49758556
0.00016143 0.00045099 0.00031293
0.00796428 0.02786230 0.00470697
9.23883731 -4.21889626 -0.40089656
0.00015288 -0.00040216 0.00026052
0.01439915 -0.01427665 0.00334193
-16.96872602 -6.46782980 6.39478912
-0.00014575 -0.00056245 -0.00023186
-0.00976612 0.00436964 -0.00202737
-18.03234335 -5.38349095 3.73157512
-0.00057432 0.00058886 -0.00000891
0.01361829 -0.01154291 0.01762562
-14.28595500 -0.92413202 18.93546125
0.00023174 -0.00001481 -0.00087267
-0.00512524 0.00075435 0.03315591
-15.01720466 -0.30360646 21.92350947
-0.00036369 0.00053032 -0.00039988
0.00825695 -0.01276367 -0.02030984
-0.16334734 2.93431181 -3.56389734
0.00029513 -0.00015421 0.00017593
-0.02177885 0.00017589 0.03385314
0.82898895 2.23755889 -5.90622961
0.00021505 -0.00024170 -0.00037710
0.01449164 0.00034634 -0.01224699
20.18764606 -9.09767159 -5.62178841
-0.00083048 -0.00020547 0.00022600
-0.00491249 0.00777792 -0.02636898
22.70396806 -9.54810040 -4.30342000
-0.00011028 0.00045658 0.00105446
0.05575312 0.00152931 -0.00904641
4.64472495 -11.30440161 6.49059974
0.00129845 -0.00018570 0.00059425
-0.03867696 0.01205226 -0.00339615
2.53919393 -11.60702524 8.41115762
-0.00022338 0.00003902 0.00086816
-0.00100150 0.00306583 0.00306450
-2.67552292 -3.07742658 -20.43235817
-0.00057822 -0.00079333 -0.00110647
0.00935632 0.00579841 0.01642122
-2.60817135 -1.38239914 -17.89651035
-0.00010671 0.00006687 -0.00021134
-0.00443102 -0.00647937 -0.00231286
1.11488809 5.63038725 -11.27936565
0.00105974 0.00085513 -0.00111412
0.01054218 0.00191486 0.00204835
-0.85633853 4.18126542 -9.59072241
-0.00055611 0.00027893 -0.00029639
0.00059028 0.02363289 -0.04179387
-4.04011448 16.50829020 14.84513964
0.00011895 0.00159005 0.00071243
-0.00730048 -0.01108277 -0.01923695
-6.64137224 15.90975704 13.84641938
-0.00007364 0.00071727 -0.00040460
-0.00180070 -0.00208232 -0.00198945
-5.55635342 2.04509402 -6.42061659
0.00050759 0.00013076 0.00005310
0.00264794 0.00247453 -0.01340127
-5.65662885 2.28780057 -9.41219170
0.00026604 -0.00092039 -0.00071229
0.00800599 0.00298321 0.00712197
-9.47616514 -1.54301317 -4.24461391
0.00078341 -0.00023024 -0.00080849
0.00953754 0.02737359 0.00187873
-9.37088288 1.33194759 -3.25855168
0.00045811 -0.00110453 -0.00023041
0.00064376 -0.01255170 -0.00816025
2.45323383 29.07794484 4.43461847
-0.00017483 0.00048898 -0.00112574
-0.00709990 0.00889383 0.00177568
2.63887877 28.46567537 7.41716715
-0.00070657 -0.00129193 -0.00029883
-0.00166065 0.00347781 -0.01317424
7.38292953 -10.19799536 -3.07215482
-0.00036772 0.00042721 0.00016729
-0.05214796 -0.00367680 -0.03537554
8.77495789 -10.94209502 -0.86061786
0.00044472 0.00013632 -0.00025175
0.00781246 -0.01248312 0.01472506
-5.40022868 -0.31095778 9.60078098
-0.00044683 -0.00105774 0.00031428
-0.00531065 0.02829377 -0.00569400
-8.06619236 0.79026571 10.03205526
0.00071579 -0.00031641 -0.00034830
-0.01345598 0.00052984 0.00086478
19.34985386 9.47839675 7.90172070
-0.00033373 0.00054266 0.00016895
0.00029867 0.00222195 -0.01253736
21.54722163 10.38193254 6.00043016
0.00006259 -0.00019536 0.00024981
-0.04840781 -0.02650435 0.00209406
-2.86870240 0.41691384 -22.57989785
-0.00063662 0.00081196 -0.00111019
0.00091316 -0.00214629 0.01511282
-5.30541346 0.66400830 -24.28888850
-0.00103192 -0.00054714 -0.00059461
0.03786304 -0.00145466 -0.00254859
-12.70833657 9.49972726 10.67698033
-0.00039297 0.00032966 -0.00003305
-0.00053088 -0.00412002 -0.00135369
-13.41220932 9.54883054 7.96910014
-0.00010673 0.00038226 -0.00005326
-0.01051407 -0.01454547 0.01131969
-13.76459839 4.24969543 -4.79066139
-0.00014555 0.00077429 -0.00002121
0.00225908 -0.04000037 -0.02200885
-14.93320062 6.85583060 -4.93921847
-0.00007373 -0.00037429 -0.00055360
-0.00764823 -0.00601498 0.00490207
-5.30683005 -16.15693379 21.34343570
0.00026900 0.00040112 -0.00035188
-0.00508892 -0.00124760 -0.01252619
-3.01478903 -15.47649796 19.55824660
0.00005211 0.00038001 0.00051201
-0.00774329 -0.00034394 0.00589124
-6.51642809 6.68482008 -6.52948657
-0.00015742 -0.00020677 -0.00038094
0.00497545 0.02058152 0.00380642
-7.27826567 9.38352064 -5.36233511
-0.00113503 0.00004846 0.00011005
-0.01165902 0.00060089 0.00214542
-20.66338849 31.08582855 -0.16997299
-0.00068067 -0.00003741 0.00037495
0.00195124 -0.01118307 0.01275019
-18.07719186 30.74694454 1.04453279
-0.00033945 -0.00064783 -0.00075477
0.03142112 0.00112862 -0.00237399
9.14037073 2.97725784 6.72008035
-0.00053632 0.00041515 -0.00009233
0.02521245 0.00975585 0.03722354
9.93626447 5.31090997 8.38194149
-0.00017171 -0.00050145 -0.00014480
-0.01475125 0.04505040 0.00831708
8.51661427 17.80307942 -12.46038652
0.00001516 0.00084996 0.00041479
0.00707458 -0.00111521 -0.00683303
8.65138683 15.23744128 -11.20884887
-0.00049791 -0.00001399 -0.00025038
0.00793756 -0.00449331 -0.00021739
12.74232387 5.59126639 0.17534124
-0.00069631 0.00015472 0.00036311
0.02380925 -0.00181472 -0.02847121
14.28183295 3.48316185 0.66849200
0.00034350 -0.00052876 0.00063935
0.01070969 -0.02752092 0.01329069
-4.49335159 11.69097209 -2.80511161
-0.00125603 0.00060790 0.00064742
-0.00925674 -0.01176723 0.03381008
-5.56854710 10.37864744 -0.21718489
0.00025474 -0.00073711 -0.00053558
0.00982161 0.00215663 -0.01868486
7.89559213 13.44821429 4.72384146
-0.00011321 -0.00202201 0.00022618
0.00216885 -0.02021759 0.00350810
10.07103816 11.44295681 4.50570664
0.00017719 -0.00010017 0.00019017
-0.01182655 -0.00394158 0.00233997
18.59033501 -11.44526138 -9.16412539
0.00120675 0.00116414 -0.00007010
0.00133229 0.00105760 0.00135471
20.59417960 -12.75760252 -10.66569516
-0.00027054 0.00058638 0.00026148
0.02270054 -0.04758728 -0.00132914
18.84372498 -5.16741743 -1.89374441
0.00006486 0.00050429 0.00105844
0.01006097 -0.00214596 0.00249343
18.12739817 -7.44669977 -0.35012141
-0.00013057 0.00002827 -0.00002966
0.00767847 0.00164617 0.00822820
15.20567932 9.30722143 9.33324129
-0.00066757 -0.00002597 -0.00013620
0.00410549 -0.01339633 0.00542263
16.54192219 7.56451717 11.36435723
0.00032959 0.00060004 -0.00003445
-0.00848394 0.00325451 -0.01556881
2.65677371 -15.76582832 17.30750253
-0.00015447 0.00060071 0.00139359
0.00065248 -0.00083552 -0.00223294
3.53825606 -12.90667068 17.20089770
-0.00111762 -0.00015627 0.00078971
-0.00690179 0.01686438 0.00587654
-4.03168733 -4.33703194 -13.55759359
-0.00034413 -0.00017220 -0.00029196
-0.00571335 0.01906645 -0.00356671
-1.82923816 -2.30979062 -13.34445090
-0.00015656 0.00011166 -0.00002001
-0.00332855 0.00208225 0.00007565
16.07251924 -7.46153447 -14.94310475
-0.00023024 0.00056167 0.00016967
-0.00148355 -0.00399313 -0.00635695
17.14354603 -7.72273970 -12.15840931
0.00047285 0.00012726 0.00063978
-0.00253485 0.00598588 -0.00177967
9.65608314 -4.53856151 4.83791789
-0.00049384 0.00051776 0.00034420
-0.00911703 0.00539738 0.02307536
12.16414467 -4.76940650 5.68450264
-0.00031914 0.00060838 0.00044593
0.04143707 -0.00101283 -0.00278634
-21.06294129 0.04635897 24.56518737
-0.00033024 0.00051362 -0.00016541
-0.02534928 -0.02632642 -0.00665243
-20.11460059 2.50011074 25.65735547
-0.00034449 -0.00000419 -0.00121424
0.01035992 -0.01910336 -0.00578582
24.62798081 -2.49468826 -7.24193341
-0.00052698 0.00017409 0.00027644
0.00867943 -0.00408943 0.00268168
24.13073433 -0.48563157 -9.37310011
-0.00004037 -0.00064463 -0.00008830
-0.00143361 -0.00094882 0.02519963
12.54763174 -10.21005562 -9.85729321
-0.00007405 -0.00058690 0.00056945
0.01014655 -0.00179254 0.02333156
12.42236233 -8.49471575 -12.08791811
0.00030099 0.00036894 -0.00012471
0.00582779 0.01228913 -0.01232972
-9.37198867 -9.11307391 18.19611496
-0.00006657 0.00020176 0.00058806
-0.00033216 -0.00254744 -0.00051649
-11.46990503 -10.07765188 16.57290181
0.00034791 0.00157303 0.00052418
-0.03692752 -0.00229322 0.00419248
8.45416272 0.52462908 -30.05842913
-0.00051128 -0.00093077 -0.00059993
0.00005064 0.00590259 0.01340556
5.74461821 0.92435457 -28.95552011
0.00030525 -0.00063465 -0.00077141
-0.02002021 0.00366675 -0.00462646
12.46589443 19.58916424 12.48136565
-0.00022131 0.00086081 0.00034901
0.00503687 -0.01359701 -0.00401232
13.92639457 17.39732696 11.04486754
-0.00037398 -0.00068570 -0.00129330
0.00248668 0.00730728 -0.00814624
27.73866784 7.69806251 -11.64572165
0.00042701 0.00020022 0.00064397
-0.02339454 -0.00524543 0.00051080
26.01832116 7.46839228 -9.25706071
-0.00028126 -0.00089153 -0.00030411
-0.00635233 0.00103721 -0.01098766
-7.17236757 4.59445265 6.69732234
0.00028482 -0.00005911 -0.00003611
-0.00067227 -0.00752122 -0.00471024
-8.98175376 8.75155523 3.87198015
0.00023080 -0.00007128 0.00002953
-0.00240896 -0.00956650 -0.00347035
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07859531
0.28806881
383.83724373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3261281242 (a.u.)
total exchange computation time: 3.2164590359 s
-153.9092288704
-931.35916085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3262745570 (a.u.)
total exchange computation time: 3.2143850327 s
-153.9093353052
Anderson extrapolation: theta=1.3405653549 (1.3405653549)
-931.35938222
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3264043156 (a.u.)
total exchange computation time: 3.2149300575 s
-153.9100384717
Anderson extrapolation: theta=0.0514359282 (0.0514359282)
-931.35951349
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3263543882 (a.u.)
total exchange computation time: 3.2137501240 s
-153.9105777754
Anderson extrapolation: theta=1.9136222614 (1.9136222614)
-931.35951831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3262377626 (a.u.)
total exchange computation time: 3.2159969807 s
-153.9117301990
Anderson extrapolation: theta=0.2259283817 (0.2259283817)
-931.35952333
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3262040022 (a.u.)
total exchange computation time: 3.2142260075 s
-153.9119968955
Anderson extrapolation: theta=1.8637027651 (1.8637027651)
-931.35952428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3261539189 (a.u.)
total exchange computation time: 3.2139360905 s
-153.9123397494
Anderson extrapolation: theta=0.2900081845 (0.2900081845)
-931.35952542
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3261526253 (a.u.)
total exchange computation time: 3.2144970894 s
-153.9122935369
Anderson extrapolation: theta=1.2855709281 (1.2855709281)
-931.35952568
73.137867 112.811886 -294.956257
547.214343 1079.667474 -416.188413
620.352210 1192.479360 -711.144670
1520.713855
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3261603743 (a.u.)
total exchange computation time: 3.2150950432 s
678.18463055
-1082.24670904
89.82688232
-390.10469724
-174.69347208
77.43244635
551.60419304
0.00000000
-931.35952585
3.72531451 -31.38726957 -3.83133086
-0.00038321 0.00041955 -0.00001816
-0.00302882 -0.00863699 0.01963363
-11.15478988 2.23743120 -9.32214094
-0.00007650 -0.00009775 -0.00005264
0.02245424 0.01879816 -0.01573746
-37.09751647 1.88512813 3.94072280
0.00026924 0.00024657 0.00012707
-0.01420372 0.00275996 -0.01116962
-7.73573093 -3.60577150 3.04282202
0.00008179 -0.00013297 -0.00025996
-0.00491534 0.00495105 -0.01102774
2.25329349 -0.09234075 9.70999618
0.00030095 0.00014037 -0.00009638
-0.03586444 0.04442739 -0.01093520
-31.24257595 1.37944112 3.51386659
-0.00009181 -0.00010921 -0.00002897
-0.02474551 0.05076497 -0.01267547
16.41236052 13.28308996 -17.70191560
0.00014862 -0.00007365 0.00014160
0.00138992 -0.02492713 -0.01681796
-3.23171253 4.95231761 4.28967578
-0.00014758 -0.00021615 -0.00050592
-0.02503366 -0.01370088 -0.03864019
4.82642364 17.36105539 -6.54272533
-0.00006666 0.00006380 -0.00013997
0.03367596 0.03031553 0.00649392
8.28332978 7.22371978 -21.17164194
0.00005192 0.00055970 -0.00015073
0.00459595 -0.00004628 0.01688840
19.69817831 18.84739802 -5.36721908
0.00055551 -0.00013589 0.00000313
0.00652737 0.02076478 0.01024074
2.02518315 14.69435360 -21.43874315
-0.00011401 -0.00009691 0.00010619
0.04130713 0.00193732 -0.00048049
10.49717515 -5.54302306 0.10229406
-0.00002014 -0.00006203 -0.00023035
-0.01169324 0.00017754 -0.00363148
-16.55951596 -5.53843285 4.87469994
0.00026321 -0.00006298 -0.00018861
-0.00852371 0.00382346 -0.01494272
-14.24752294 -1.53853439 20.74694816
0.00012714 -0.00005173 0.00011459
-0.00773784 0.02255452 -0.01677806
0.91115186 3.66800368 -4.76331240
-0.00043968 0.00004342 -0.00012674
0.00464116 -0.00436587 -0.01873902
20.97470221 -9.59960168 -4.12364363
-0.00018187 0.00015613 -0.00046065
-0.05970433 -0.01494224 0.03007083
2.79418513 -10.82639739 6.76965763
-0.00024190 0.00003028 -0.00023233
0.04612384 -0.01670104 0.00859188
-1.77363713 -1.73912474 -19.47362092
-0.00017058 -0.00013231 0.00040475
-0.00882713 -0.00807144 -0.02388427
-0.61703721 5.08785727 -11.28158360
0.00001934 0.00025423 0.00009274
-0.01581891 -0.02217653 0.03829181
-4.89594272 15.47501633 13.49441159
0.00000303 -0.00010135 0.00015482
0.01454900 0.01788560 0.04692455
-4.95807630 3.06226654 -7.85025643
-0.00000167 0.00015418 -0.00047663
-0.01087328 -0.00300742 0.00833746
-8.65614566 0.12582904 -4.47208326
0.00000484 -0.00014485 0.00038693
-0.00066602 -0.01467097 0.00636229
2.94039162 27.87631168 5.70975865
0.00014126 -0.00019206 0.00005833
0.00657877 -0.01609998 -0.00135650
8.70116919 -9.63153135 -2.10135443
-0.00007614 0.00016153 0.00000711
0.03587774 0.00515119 0.02597447
-6.36538005 1.37904576 9.85310336
0.00026407 0.00025735 0.00039014
0.02008423 -0.03594838 -0.00248028
19.72527584 9.58437526 6.07516537
0.00007230 -0.00017177 -0.00046838
0.05421858 0.03192740 0.01724093
-3.38733221 0.65116480 -24.29751026
0.00013021 -0.00017251 0.00018372
-0.04659780 0.00055083 -0.02259394
-13.62480142 8.42995171 9.48835929
-0.00007026 0.00001013 -0.00008885
0.00698105 0.02160146 -0.01703371
-13.85031131 5.76614175 -3.93027849
0.00027393 -0.00014936 0.00006805
0.00700724 0.04617206 0.02154646
-3.80769108 -15.10725276 21.17069568
0.00000564 0.00008533 0.00015710
0.01656659 0.00296399 0.00592895
-6.27491957 8.53717317 -6.59889651
-0.00023813 0.00018826 0.00036401
0.01167308 -0.02547673 -0.01472250
-19.77625592 30.26916728 1.23291055
0.00008485 0.00027541 0.00020036
-0.03554091 0.00872633 -0.01320605
10.33480701 3.61467068 8.16524241
-0.00012515 0.00023394 -0.00002984
-0.01552792 -0.06102224 -0.04919161
7.47199787 16.50512544 -11.74023233
-0.00008433 -0.00003876 -0.00001641
-0.02259666 0.00524289 0.00932878
14.04822291 4.55501321 -0.76010056
0.00011507 -0.00022442 0.00037093
-0.03887360 0.01981423 0.02264036
-5.63106634 11.86372242 -1.30518834
-0.00026619 -0.00006250 -0.00011483
-0.00460804 0.01808656 -0.00835179
8.27254452 11.60625147 4.95193979
0.00027343 -0.00049163 -0.00013018
0.00703813 0.01624217 -0.00110535
19.85771502 -11.19000496 -10.46388136
0.00001235 -0.00003122 -0.00026536
-0.01871983 0.04951052 0.00045076
19.19013712 -5.87950511 -0.23277416
0.00024135 0.00025773 0.00008528
-0.01837692 -0.00558439 -0.00427684
15.97181122 7.64420816 9.59760894
-0.00015257 -0.00023411 0.00004229
-0.00341424 0.01383359 0.01275307
3.86490614 -14.56900937 16.59531641
-0.00006235 -0.00027985 -0.00012791
0.00566511 -0.00164282 -0.01111122
-3.58665371 -2.50445501 -13.85042427
-0.00047455 -0.00021832 -0.00037556
0.01472392 -0.00715224 0.00454134
16.19795385 -6.60919131 -13.28437131
0.00024525 0.00052121 0.00029662
0.00068849 -0.01459642 0.00247942
10.60831894 -4.37747120 6.44301785
-0.00006833 -0.00024677 0.00030821
-0.03586999 0.00053693 -0.01758659
-19.52809470 0.80874449 25.04087844
0.00003691 0.00007628 0.00034781
0.00536240 0.04885152 0.01561755
24.06718513 -0.76560304 -7.47260797
-0.00004953 0.00004680 0.00022947
-0.01109681 0.01144244 -0.03338059
11.49003614 -9.76911473 -11.23167655
0.00000095 0.00010835 0.00005357
-0.00904858 -0.00840605 -0.00327206
-9.72585287 -9.93965999 16.61000696
-0.00007811 -0.00008500 0.00027187
0.04912441 0.00778959 -0.00158309
7.35615481 0.23698725 -28.57413949
-0.00000158 -0.00038403 -0.00006490
0.02118293 -0.01049833 -0.00142588
12.58687572 17.76213660 12.23484306
-0.00006135 0.00000782 0.00009298
-0.00236900 0.01739874 0.00974595
25.91128793 7.39311209 -11.13208677
0.00005739 0.00021711 -0.00012918
0.03783126 0.01206578 0.01151430
3.63623234 -29.88871393 -4.88362275
0.00016791 -0.00001359 0.00004895
0.01004452 0.00860211 0.00135934
3.39567203 -30.79987430 -2.03990212
-0.00016645 0.00019056 -0.00036220
0.00247260 0.00359076 -0.02228191
-9.69298986 3.32280621 -8.74194313
0.00056060 -0.00045967 -0.00016294
-0.03206247 -0.02475183 -0.01233466
-11.50521039 2.65686258 -11.18432119
-0.00046273 -0.00016643 0.00001897
0.00528383 0.00010331 0.02492806
-36.98726239 3.50736881 3.09543578
0.00076452 -0.00072303 -0.00005452
-0.00191343 0.00379538 0.00025518
-38.95921751 1.42080405 3.61329061
-0.00069616 0.00042165 0.00058828
0.03292217 -0.00188852 0.00848676
-8.94259405 -3.85163962 1.64010199
-0.00085171 -0.00054132 0.00062117
0.00499231 -0.01002152 0.00863104
-6.30832771 -4.66314390 2.64024845
0.00014133 0.00007511 0.00003474
-0.00145654 -0.00373283 0.00046470
3.43408058 -1.22250261 9.10076558
-0.00059085 0.00026212 0.00015819
0.03313120 -0.03015216 -0.01983322
1.96008038 1.15450575 8.31859687
-0.00084305 -0.00047990 -0.00023577
0.00412210 -0.01702462 0.02506482
-30.86394079 -0.34228126 3.76780780
0.00003011 0.00067371 0.00025863
0.00312502 -0.03276351 0.00042792
-33.07155657 1.61057750 3.14788418
-0.00034933 -0.00018235 0.00069539
0.02319197 -0.01592504 0.01062274
15.52168428 11.81122580 -18.53803135
-0.00031942 -0.00092333 -0.00133723
-0.00361969 0.02873109 0.01546165
17.90636319 12.28645784 -17.26192546
0.00052271 -0.00025500 -0.00005188
0.00474377 0.00452052 0.00516556
-2.93502149 6.49145886 5.18466915
0.00055289 0.00018290 -0.00031674
0.01079357 0.01802738 0.00709711
-3.84739529 5.59754947 2.61564387
-0.00014379 0.00057491 -0.00048139
0.01862206 -0.01072140 0.02674627
5.80252929 16.78077684 -8.01580159
0.00094507 -0.00002381 -0.00106986
-0.00608222 0.00618160 0.00143863
5.90500445 18.86706859 -5.90102959
-0.00064353 0.00008144 0.00117110
-0.02639234 -0.03843695 -0.01679044
8.77504739 6.46062018 -22.78085483
0.00121355 -0.00043329 0.00050164
0.00095648 0.00228770 0.00215725
9.70453832 7.44020891 -19.94081375
-0.00025011 -0.00020365 -0.00032846
-0.01317058 0.00080766 -0.02332566
19.49702107 20.11476479 -3.89944426
0.00060345 0.00082970 -0.00040153
0.00616650 -0.01304013 -0.03961744
20.82965485 19.60621037 -6.68004444
0.00044389 0.00004714 0.00049363
-0.01528091 -0.00162640 0.02868301
2.03529389 12.98572545 -20.82195780
-0.00023525 0.00014012 0.00001395
-0.01769225 0.00360338 0.00635673
0.43405110 15.40146703 -21.91645562
0.00044866 -0.00041522 -0.00008683
-0.02627275 -0.00881133 0.00031386
9.78893493 -7.18480913 -0.49274733
0.00019088 0.00055694 0.00032955
0.00645611 0.02400089 0.00342799
9.24157175 -4.22536614 -0.39688638
0.00020779 -0.00045606 0.00027252
0.01247883 -0.01210767 0.00253147
-16.97121160 -6.47613267 6.39124912
-0.00018414 -0.00054203 -0.00024374
-0.00902295 0.00562636 -0.00378991
-18.04054079 -5.37501170 3.73198165
-0.00051232 0.00054107 0.00006698
0.01672766 -0.01185285 0.01952040
-14.28263596 -0.92433110 18.92338727
0.00021107 -0.00001473 -0.00072835
-0.00499426 -0.00071165 0.03748535
-15.02240698 -0.29604277 21.91688892
-0.00032855 0.00047583 -0.00048407
0.00894209 -0.01390890 -0.02090303
-0.15958783 2.93200408 -3.56022103
0.00020553 -0.00015508 0.00031429
-0.02207989 -0.00060241 0.03387329
0.83265874 2.23394396 -5.91226132
0.00027357 -0.00023602 -0.00042278
0.01415506 0.00243378 -0.01011515
20.17503833 -9.10051533 -5.61920643
-0.00085087 -0.00017161 0.00011266
-0.00506756 0.00879943 -0.02911395
22.70402225 -9.54120487 -4.28788029
0.00011594 0.00046436 0.00101559
0.05498614 0.00227845 -0.00998127
4.66301650 -11.30681778 6.49940945
0.00112690 -0.00013363 0.00058154
-0.04529846 0.01343442 -0.00282670
2.53581261 -11.60634605 8.42427389
-0.00022539 0.00005728 0.00086757
0.00001375 0.00587516 -0.00335089
-2.68390949 -3.08914885 -20.44845201
-0.00053238 -0.00075793 -0.00102955
0.01307991 0.01153131 0.02122942
-2.60990774 -1.38159462 -17.89975135
-0.00012943 0.00004121 -0.00021398
-0.00669310 -0.00608147 0.00102210
1.13110728 5.64327290 -11.29601467
0.00108543 0.00085635 -0.00110294
0.00202957 -0.00131597 0.00342151
-0.86466214 4.18617351 -9.59644894
-0.00055138 0.00037439 -0.00046350
0.00172694 0.02309566 -0.04000849
-4.03855388 16.53180139 14.85523661
0.00008351 0.00153642 0.00062435
-0.01004986 -0.01517185 -0.02387767
-6.64253195 15.92045234 13.84028941
-0.00007918 0.00070798 -0.00041340
-0.00091534 -0.00246940 -0.00231868
-5.54865847 2.04713127 -6.42023068
0.00051939 0.00014288 -0.00000459
0.00312799 0.00345687 -0.01483972
-5.65239289 2.27408620 -9.42265786
0.00030025 -0.00090527 -0.00067881
0.00873800 0.00441735 0.00927043
-9.46412173 -1.54562797 -4.25668362
0.00081913 -0.00012301 -0.00079898
0.00794656 0.02511481 0.00277308
-9.36399156 1.31499503 -3.26225783
0.00045296 -0.00114497 -0.00025207
-0.00316162 -0.00724326 -0.00244386
2.45039388 29.08555214 4.41778686
-0.00019848 0.00051179 -0.00110287
-0.00447945 0.00227065 0.00941623
2.62822927 28.44640293 7.41228104
-0.00071502 -0.00127351 -0.00034530
-0.00247279 0.00553918 -0.00957633
7.37581577 -10.19169983 -3.07072954
-0.00057811 0.00041282 0.00002543
-0.05083746 -0.00336953 -0.03406490
8.78186810 -10.94043267 -0.86394294
0.00047627 0.00008395 -0.00019119
0.00763178 -0.01315473 0.01491965
-5.40709381 -0.32595694 9.60532068
-0.00046776 -0.00093614 0.00029094
-0.00493824 0.03123342 -0.00572893
-8.05586779 0.78553584 10.02685724
0.00065453 -0.00031388 -0.00034395
-0.01653363 0.00070804 0.00126343
19.34485702 9.48660477 7.90387074
-0.00033145 0.00055139 0.00010934
0.00081864 0.00205221 -0.01664228
21.54667713 10.37818995 6.00424149
-0.00013363 -0.00030307 0.00025688
-0.04764393 -0.02621747 0.00136466
-2.87822369 0.42902749 -22.59608760
-0.00062580 0.00079988 -0.00102346
0.00438057 -0.00376872 0.02734159
-5.31973200 0.65575668 -24.29788577
-0.00086540 -0.00055293 -0.00060448
0.04364922 -0.00137979 -0.00228175
-12.71424742 9.50454599 10.67644314
-0.00039518 0.00031210 -0.00003874
-0.00055031 -0.00447663 -0.00143346
-13.41413247 9.55411870 7.96864804
-0.00014993 0.00032119 -0.00000606
-0.01063236 -0.01534672 0.01178895
-13.76671239 4.26008410 -4.79165400
-0.00013451 0.00059699 -0.00011776
0.00314174 -0.04679178 -0.02525035
-14.93454097 6.85003189 -4.94737221
-0.00010135 -0.00040044 -0.00052881
-0.00587183 -0.00678444 0.00723279
-5.30295105 -16.15095522 21.33777361
0.00024267 0.00039214 -0.00040180
-0.00779628 -0.00314701 -0.01190779
-3.01424464 -15.47080830 19.56610735
0.00002315 0.00037784 0.00053083
-0.00643126 -0.00071762 0.00332109
-6.51863697 6.68234926 -6.53508409
-0.00013705 -0.00011845 -0.00036505
0.00499634 0.02264889 0.00397552
-7.29564841 9.38426600 -5.36061866
-0.00118038 0.00004835 0.00011563
-0.01054051 -0.00065505 0.00058753
-20.67353880 31.08492466 -0.16395804
-0.00067169 -0.00008341 0.00042813
0.00244614 -0.01133278 0.01328356
-18.08132079 30.73726162 1.03313854
-0.00020218 -0.00064073 -0.00076611
0.03577544 0.00234926 -0.00318093
9.13309852 2.98378412 6.71983597
-0.00043239 0.00045445 0.00006018
0.02566164 0.00948169 0.03743309
9.93323675 5.30476874 8.38002442
-0.00023426 -0.00030523 -0.00010876
-0.01586482 0.05099910 0.00932425
8.51705842 17.81579465 -12.45437413
0.00003959 0.00083840 0.00039054
0.00488628 -0.00454297 -0.00503494
8.64416141 15.23709381 -11.21261118
-0.00046102 -0.00003583 -0.00024996
0.01011850 -0.00619803 0.00041920
12.73260882 5.59353163 0.17991545
-0.00059222 0.00014150 0.00024418
0.02714140 -0.00466078 -0.02974485
14.28731370 3.47438711 0.67848959
0.00038494 -0.00063511 0.00068791
0.00957363 -0.02453575 0.01047802
-4.51247575 11.69973007 -2.79436431
-0.00128385 0.00055818 0.00077140
-0.00436193 -0.01257387 0.02688187
-5.56442502 10.36765694 -0.22579118
0.00029443 -0.00072446 -0.00061395
0.00960452 0.00403499 -0.01967683
7.89396050 13.41726463 4.72734163
-0.00010768 -0.00208582 0.00023802
0.00053650 -0.01101686 0.00228632
10.07333361 11.44133348 4.50863082
0.00013180 -0.00011686 0.00019895
-0.01039161 -0.00422591 0.00196248
18.60847710 -11.42776689 -9.16513543
0.00120299 0.00116684 -0.00005552
-0.00317200 0.00026515 0.00578204
20.59081718 -12.75026507 -10.66181376
-0.00017200 0.00037979 0.00025485
0.02553332 -0.05353851 -0.00191195
18.84500624 -5.15991877 -1.87779146
0.00010388 0.00049993 0.00105806
0.00903882 0.00001012 -0.00267562
18.12567486 -7.44622533 -0.35031418
-0.00009662 0.00003889 0.00000450
0.00894225 0.00355199 0.00849509
15.19579155 9.30642144 9.33136444
-0.00064839 -0.00008576 -0.00011358
0.00528250 -0.01587506 0.00565007
16.54660614 7.57361745 11.36336346
0.00029485 0.00061260 -0.00009796
-0.00852382 0.00289686 -0.01552384
2.65447664 -15.75684324 17.32833790
-0.00014984 0.00059515 0.00138171
0.00161609 -0.00188865 -0.00357960
3.52128025 -12.90849793 17.21292339
-0.00114125 -0.00009595 0.00080822
-0.00466558 0.01266062 0.00318769
-4.03702430 -4.33903069 -13.56208232
-0.00036756 -0.00009585 -0.00030613
-0.00575720 0.01830601 -0.00337008
-1.83168856 -2.30805194 -13.34474874
-0.00017670 0.00011925 -0.00002161
-0.00652785 0.00163372 -0.00085953
16.06902018 -7.45323173 -14.94075445
-0.00023561 0.00054530 0.00014508
-0.00114328 -0.00402047 -0.00567941
17.15056111 -7.72064738 -12.14886721
0.00045836 0.00015633 0.00062762
-0.00455673 0.00824349 -0.00417162
9.64839623 -4.53062965 4.84378795
-0.00052954 0.00053899 0.00043981
-0.00835867 0.00499297 0.02372787
12.16062732 -4.76031185 5.69110627
-0.00014376 0.00060274 0.00043070
0.04441099 -0.00174778 -0.00467108
-21.06867165 0.05325656 24.56250234
-0.00042891 0.00040657 -0.00019144
-0.02295102 -0.02607394 -0.00608783
-20.11945053 2.49946243 25.63896462
-0.00030262 -0.00007626 -0.00123443
0.01013544 -0.01617102 -0.00410018
24.62034204 -2.49220227 -7.23770469
-0.00049004 0.00015358 0.00028853
0.00940441 -0.00594977 0.00323577
24.13008484 -0.49533005 -9.37365235
-0.00004665 -0.00064735 0.00001645
-0.00163906 -0.00038371 0.02607249
12.54683189 -10.21891409 -9.84803644
-0.00003775 -0.00059086 0.00065641
0.00762143 -0.00014642 0.01923326
12.42705572 -8.48880507 -12.09016654
0.00032145 0.00041299 -0.00017007
0.00419052 0.00927190 -0.00987508
-9.37299746 -9.11012562 18.20492008
-0.00006750 0.00018854 0.00058039
-0.00012248 -0.00392330 -0.00324101
-11.46581791 -10.05412667 16.58089294
0.00018611 0.00156312 0.00054003
-0.04227471 -0.00255962 0.00356579
8.44649510 0.51084843 -30.06701723
-0.00050992 -0.00090713 -0.00054380
0.00061390 0.00567048 0.01406857
5.74858354 0.91494725 -28.96723302
0.00021972 -0.00061862 -0.00078981
-0.02184827 0.00417691 -0.00438185
12.46272913 19.60165977 12.48647780
-0.00019894 0.00079325 0.00032981
0.00591345 -0.01947773 -0.00538637
13.92086100 17.38726539 11.02521844
-0.00037198 -0.00065211 -0.00131863
-0.00150356 0.00913532 -0.00425408
27.74435608 7.70090509 -11.63604651
0.00033045 0.00017862 0.00064442
-0.02387065 -0.00532729 -0.00028893
26.01390765 7.45505109 -9.26195906
-0.00030753 -0.00088660 -0.00034574
-0.00650641 0.00137889 -0.00939208
-7.16809704 4.59354581 6.69676798
0.00028459 -0.00006179 -0.00003780
-0.00064032 -0.00746059 -0.00469903
-8.97829595 8.75046944 3.87241708
0.00023025 -0.00007349 0.00002871
-0.00233295 -0.00947425 -0.00358754
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07854177
0.28098409
374.39721033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3216958807 (a.u.)
total exchange computation time: 3.1568500996 s
-153.8882913425
-931.35280806
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3218257213 (a.u.)
total exchange computation time: 3.1590249538 s
-153.8885589859
Anderson extrapolation: theta=1.3384310216 (1.3384310216)
-931.35304621
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3219429201 (a.u.)
total exchange computation time: 3.1577320099 s
-153.8894281197
Anderson extrapolation: theta=0.0507006429 (0.0507006429)
-931.35318705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3218999663 (a.u.)
total exchange computation time: 3.1597340107 s
-153.8899441096
Anderson extrapolation: theta=1.8986916532 (1.8986916532)
-931.35319212
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3218006840 (a.u.)
total exchange computation time: 3.1569819450 s
-153.8910349717
Anderson extrapolation: theta=0.2250442047 (0.2250442047)
-931.35319728
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3217732483 (a.u.)
total exchange computation time: 3.1585900784 s
-153.8912812380
Anderson extrapolation: theta=1.8740203480 (1.8740203480)
-931.35319824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3217354260 (a.u.)
total exchange computation time: 3.1594729424 s
-153.8915867625
Anderson extrapolation: theta=0.2892972440 (0.2892972440)
-931.35319935
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3217381749 (a.u.)
total exchange computation time: 3.1573610306 s
-153.8915279556
Anderson extrapolation: theta=1.2777043971 (1.2777043971)
-931.35319960
73.156088 112.763537 -295.010613
547.151578 1079.691408 -416.199414
620.307666 1192.454945 -711.210026
1520.707105
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3217512353 (a.u.)
total exchange computation time: 3.1590869427 s
678.12897497
-1082.12274806
89.83294311
-390.18734547
-174.68327305
77.36459322
551.60419304
0.00000000
-931.35319974
3.71955474 -31.38100961 -3.83152747
-0.00038459 0.00041424 -0.00000812
-0.00235625 -0.01199979 0.01938611
-11.15585070 2.23603739 -9.32299127
-0.00006483 -0.00008809 -0.00006058
0.02292349 0.01877080 -0.01511450
-37.09353272 1.88883736 3.94258569
0.00026107 0.00024652 0.00012194
-0.01753565 -0.00294557 -0.00874460
-7.73452299 -3.60774698 3.03888007
0.00007898 -0.00013016 -0.00026534
-0.00600604 0.00599028 -0.00986997
2.25766940 -0.09006377 9.70850832
0.00028130 0.00016414 -0.00010107
-0.04053802 0.04801023 -0.00731679
-31.24404849 1.37799884 3.51338314
-0.00010490 -0.00008177 -0.00003565
-0.02617092 0.05591883 -0.01331709
16.41459518 13.28188905 -17.69985654
0.00014892 -0.00008798 0.00013221
-0.00024241 -0.03079177 -0.01967698
-3.23402284 4.94902247 4.28193791
-0.00016030 -0.00022196 -0.00052542
-0.02442598 -0.00888813 -0.03716446
4.82555368 17.36212931 -6.54479976
-0.00004846 0.00007864 -0.00013804
0.03708702 0.02740708 0.00098425
8.28412627 7.23211505 -21.17383772
0.00005419 0.00055931 -0.00014289
0.00424349 -0.00146085 0.01357629
19.70653620 18.84543980 -5.36713260
0.00055857 -0.00012495 0.00000895
0.00534492 0.02177606 0.01237255
2.02363226 14.69290750 -21.43715210
-0.00009193 -0.00009586 0.00010606
0.04459277 0.00211891 -0.00003075
10.49682799 -5.54395280 0.09882473
-0.00002510 -0.00006140 -0.00023156
-0.00759944 0.00226292 -0.00105369
-16.55560066 -5.53936284 4.87181320
0.00025794 -0.00006124 -0.00019622
-0.01198579 0.00293388 -0.01466167
-14.24564570 -1.53922327 20.74860224
0.00012302 -0.00003961 0.00010508
-0.00828906 0.02455573 -0.02017255
0.90457453 3.66863814 -4.76528573
-0.00043734 0.00004072 -0.00013662
0.00446117 -0.00615152 -0.01969486
20.97174391 -9.59731739 -4.13043740
-0.00021174 0.00014811 -0.00044456
-0.05646445 -0.01623190 0.03251337
2.79073461 -10.82600759 6.76620580
-0.00021704 0.00002075 -0.00022646
0.05051917 -0.02036185 0.01424679
-1.77622984 -1.74114055 -19.46764182
-0.00017526 -0.00013784 0.00039054
-0.00938635 -0.01343402 -0.03138581
-0.61680816 5.09158524 -11.28004478
0.00001308 0.00024394 0.00011136
-0.00853372 -0.01785492 0.03412985
-4.89584117 15.47356507 13.49691492
0.00001089 -0.00009113 0.00018006
0.01601865 0.02184637 0.05120280
-4.95814336 3.06456765 -7.85737378
-0.00000753 0.00015217 -0.00047250
-0.01187786 -0.00481412 0.00774507
-8.65607555 0.12359970 -4.46625471
0.00000603 -0.00015313 0.00038841
0.00528697 -0.01750962 -0.00061913
2.94253586 27.87336865 5.71062841
0.00014426 -0.00019924 0.00005477
0.00508666 -0.01180016 -0.01248075
8.70016544 -9.62908859 -2.10114759
-0.00005853 0.00016396 0.00001974
0.03262058 0.00433000 0.02313856
-6.36134154 1.38276731 9.85894583
0.00027496 0.00023807 0.00038869
0.02225351 -0.03900679 -0.00314574
19.72656945 9.58192182 6.06820616
0.00009967 -0.00015552 -0.00045838
0.05221496 0.03127476 0.02165199
-3.38555885 0.64857929 -24.29484160
0.00010417 -0.00017192 0.00016881
-0.05465678 0.00173294 -0.03540177
-13.62582844 8.43018698 9.48696079
-0.00006667 0.00002144 -0.00009757
0.00700474 0.02238538 -0.01686653
-13.84617529 5.76407951 -3.92917455
0.00027693 -0.00012423 0.00007913
0.00463810 0.05152968 0.02150465
-3.80754258 -15.10596141 21.17307503
0.00001439 0.00008740 0.00016071
0.01746152 0.00507320 0.00812168
-6.27844644 8.53989886 -6.59349316
-0.00023245 0.00017513 0.00035682
0.01041785 -0.02559279 -0.01321615
-19.77512032 30.27333213 1.23586506
0.00006577 0.00027967 0.00019376
-0.03864924 0.00784736 -0.01248893
10.33286983 3.61794443 8.16460510
-0.00013297 0.00020171 -0.00005523
-0.01486741 -0.06433249 -0.04957085
7.47064572 16.50456430 -11.74044250
-0.00009589 -0.00003484 -0.00001213
-0.02233378 0.01000589 0.00730953
14.04979903 4.55172327 -0.75444932
0.00009480 -0.00021448 0.00038357
-0.03994284 0.01885069 0.02650854
-5.63507695 11.86285472 -1.30694305
-0.00026989 -0.00005340 -0.00011691
-0.00976679 0.01728187 0.00027483
8.27667314 11.59893966 4.94998284
0.00027714 -0.00048582 -0.00013027
0.00739421 0.00636679 0.00075719
19.85782811 -11.19028235 -10.46786004
0.00000342 -0.00000467 -0.00026631
-0.01601384 0.05375728 -0.00414229
19.19368644 -5.87566063 -0.23151141
0.00023184 0.00025386 0.00008437
-0.01857579 -0.00946921 0.00072355
15.96950947 7.64074992 9.59829247
-0.00015460 -0.00022635 0.00004870
-0.00448138 0.01631851 0.01216285
3.86399268 -14.57321349 16.59335493
-0.00006022 -0.00027932 -0.00013260
0.00261396 0.00371439 -0.00714195
-3.59371523 -2.50775738 -13.85604011
-0.00046622 -0.00022146 -0.00037299
0.01767270 -0.00506381 0.00542733
16.20163523 -6.60142945 -13.27991245
0.00024584 0.00051303 0.00029813
0.00162971 -0.01720789 0.00339955
10.60715561 -4.38117063 6.44757324
-0.00008726 -0.00024630 0.00029943
-0.03775240 0.00126928 -0.01655846
-19.52752035 0.81007709 25.04615581
0.00003886 0.00010026 0.00035519
0.00223238 0.04440099 0.01308217
24.06639931 -0.76485692 -7.46929475
-0.00005532 0.00005295 0.00021205
-0.01138364 0.01247006 -0.03435738
11.49001555 -9.76752195 -11.23088564
-0.00000253 0.00010436 0.00005237
-0.00449398 -0.00710313 -0.00137231
-9.72683497 -9.94090490 16.61407895
-0.00005211 -0.00008067 0.00027184
0.05196539 0.00903195 0.00144719
7.35621280 0.23118623 -28.57511842
0.00000940 -0.00038938 -0.00006580
0.02151201 -0.01027101 -0.00209116
12.58594630 17.76232102 12.23627533
-0.00006173 0.00001762 0.00009731
0.00089385 0.02072762 0.00710222
25.91229476 7.39641521 -11.13397998
0.00007682 0.00022324 -0.00012352
0.03770587 0.01177643 0.01046502
3.63905879 -29.88865423 -4.88284688
0.00020848 0.00002681 0.00005062
0.00981671 0.01117699 -0.00053975
3.39325108 -30.79690588 -2.04601796
-0.00015673 0.00020684 -0.00044844
0.00228549 0.00437651 -0.01992928
-9.68556331 3.31515271 -8.74476516
0.00042805 -0.00056130 -0.00021423
-0.03282353 -0.02499611 -0.01277209
-11.51198944 2.65436923 -11.18327273
-0.00044009 -0.00016549 0.00012044
0.00580126 0.00035732 0.02474080
-36.97585317 3.49663973 3.09462576
0.00075675 -0.00069767 -0.00005857
-0.00188953 0.00861666 -0.00223395
-38.96865112 1.42707100 3.62237483
-0.00055524 0.00041547 0.00062318
0.03606300 -0.00113932 0.00859840
-8.95521672 -3.86006655 1.64968402
-0.00082992 -0.00058284 0.00065546
0.00567334 -0.01030021 0.00815369
-6.30625241 -4.66213169 2.64078376
0.00013597 0.00005836 0.00003543
-0.00116439 -0.00446316 -0.00012504
3.42623308 -1.21949472 9.10253065
-0.00044641 0.00012982 0.00007175
0.03757231 -0.03461123 -0.02247820
1.94756095 1.14678563 8.31582833
-0.00082568 -0.00054784 -0.00013510
0.00437915 -0.01623606 0.02421708
-30.86339336 -0.33317961 3.77170040
0.00004518 0.00052913 0.00026202
0.00424905 -0.03800818 0.00123253
-33.07608587 1.60735428 3.15864060
-0.00025389 -0.00024746 0.00073849
0.02352717 -0.01594995 0.01047100
15.51678202 11.79825629 -18.55761604
-0.00032634 -0.00079528 -0.00126593
0.00023215 0.03394996 0.01944146
17.91434914 12.28277140 -17.26254534
0.00053690 -0.00023457 -0.00003227
0.00220586 0.00547823 0.00443232
-2.92639733 6.49475479 5.18013554
0.00059538 0.00024829 -0.00029186
0.01000586 0.01398208 0.00507968
-3.84898155 5.60584453 2.60924266
-0.00006741 0.00052957 -0.00037075
0.01876811 -0.01147119 0.02741236
5.81651893 16.78060910 -8.03180543
0.00091208 0.00000796 -0.00105044
-0.01006722 0.00936888 0.00806824
5.89454277 18.86711230 -5.88397753
-0.00075021 -0.00007662 0.00110005
-0.02582846 -0.03893060 -0.01799341
8.79327997 6.45419094 -22.77326406
0.00121445 -0.00042233 0.00051184
-0.00051632 0.00307832 0.00283278
9.70038306 7.43717891 -19.94645548
-0.00030073 -0.00019881 -0.00041855
-0.01160814 0.00155992 -0.02077328
19.50626174 20.12681072 -3.90668127
0.00062759 0.00077336 -0.00056299
0.00565140 -0.01453822 -0.03941460
20.83584495 19.60686761 -6.67176108
0.00038423 0.00004125 0.00060605
-0.01392344 -0.00125767 0.02634813
2.03122305 12.98793772 -20.82155380
-0.00030699 0.00015100 0.00004131
-0.01742514 0.00172047 0.00703612
0.43997599 15.39496867 -21.91774841
0.00033418 -0.00044749 -0.00008767
-0.02976805 -0.00698221 -0.00072742
9.79199603 -7.17571952 -0.48769902
0.00021360 0.00064551 0.00034051
0.00466201 0.01935139 0.00193470
9.24507097 -4.23257805 -0.39272105
0.00025416 -0.00050032 0.00028100
0.01022029 -0.00955677 0.00162038
-16.97425015 -6.48409072 6.38747686
-0.00021937 -0.00051657 -0.00026264
-0.00822125 0.00683539 -0.00546073
-18.04771306 -5.36725886 3.73358450
-0.00043882 0.00049220 0.00014947
0.01925409 -0.01207060 0.02086031
-14.27962300 -0.92457379 18.91361062
0.00019094 -0.00002011 -0.00056830
-0.00485630 -0.00192636 0.04086061
-15.02706128 -0.28933151 21.90898730
-0.00029118 0.00041753 -0.00056970
0.00935467 -0.01463233 -0.02101262
-0.15718151 2.92965942 -3.55446875
0.00011658 -0.00015806 0.00045035
-0.02145853 -0.00085470 0.03273223
0.83719603 2.23047819 -5.91891295
0.00033045 -0.00022182 -0.00045941
0.01368659 0.00451783 -0.00781712
20.16212004 -9.10281978 -5.61840874
-0.00087101 -0.00013422 -0.00000991
-0.00479097 0.00950097 -0.03088191
22.70744634 -9.53416971 -4.27295229
0.00033339 0.00047493 0.00097339
0.05145796 0.00289798 -0.01067618
4.67853189 -11.30841062 6.50804593
0.00093106 -0.00007666 0.00057064
-0.05056775 0.01445229 -0.00250858
2.53243214 -11.60530681 8.43718480
-0.00022344 0.00008651 0.00084163
0.00094082 0.00843303 -0.00934707
-2.69149444 -3.10016442 -20.46324478
-0.00047255 -0.00070101 -0.00093428
0.01620701 0.01633032 0.02540590
-2.61205433 -1.38116281 -17.90292970
-0.00016128 0.00001731 -0.00020304
-0.00889407 -0.00561619 0.00433266
1.14745086 5.65607789 -11.31245400
0.00107717 0.00084463 -0.00108601
-0.00607241 -0.00442485 0.00486884
-0.87287992 4.19249704 -9.60462744
-0.00054245 0.00046642 -0.00062115
0.00264499 0.02195512 -0.03716073
-4.03760920 16.55438277 14.86387021
0.00003798 0.00146716 0.00051909
-0.01223614 -0.01872860 -0.02764989
-6.64374777 15.93099630 13.83401734
-0.00008102 0.00069704 -0.00042353
0.00001898 -0.00288215 -0.00263829
-5.54077182 2.04938038 -6.42075423
0.00053286 0.00015856 -0.00006741
0.00346631 0.00421872 -0.01591002
-5.64762142 2.26064254 -9.43255587
0.00033716 -0.00088443 -0.00063706
0.00933328 0.00578225 0.01116605
-9.45159131 -1.54670359 -4.26858337
0.00084778 -0.00002646 -0.00078584
0.00607922 0.02214790 0.00365800
-9.35729400 1.29759855 -3.26611376
0.00043177 -0.00116275 -0.00024937
-0.00721184 -0.00145987 0.00376449
2.44727940 29.09329860 4.40153233
-0.00021184 0.00050863 -0.00105009
-0.00206120 -0.00382064 0.01641838
2.61742823 28.42746996 7.40680803
-0.00072698 -0.00124680 -0.00037661
-0.00338263 0.00753942 -0.00574692
7.36558637 -10.18561081 -3.07139197
-0.00077881 0.00040126 -0.00010771
-0.04740956 -0.00228970 -0.03110721
8.78924604 -10.93957652 -0.86635365
0.00050681 0.00002969 -0.00013089
0.00731827 -0.01340578 0.01459996
-5.41426159 -0.33904192 9.60950927
-0.00048667 -0.00080365 0.00026742
-0.00431692 0.03362015 -0.00578609
-8.04655649 0.78084936 10.02173666
0.00058191 -0.00031036 -0.00033815
-0.01901274 0.00101658 0.00157638
19.33991036 9.49493856 7.90500085
-0.00032726 0.00055928 0.00003411
0.00123229 0.00180676 -0.02018268
21.54321271 10.37284059 6.00813645
-0.00032484 -0.00040874 0.00026088
-0.04595315 -0.02550926 0.00059331
-2.88747651 0.44091017 -22.61060169
-0.00060104 0.00078153 -0.00088705
0.00774198 -0.00521414 0.03943446
-5.33137545 0.64742050 -24.30702289
-0.00067794 -0.00055829 -0.00061314
0.04811259 -0.00124528 -0.00195688
-12.72019200 9.50909035 10.67581811
-0.00039731 0.00029324 -0.00004464
-0.00049346 -0.00475693 -0.00145243
-13.41670723 9.55846631 7.96891845
-0.00019344 0.00025751 0.00004221
-0.01066440 -0.01582474 0.01183892
-13.76863384 4.26760509 -4.79419410
-0.00012024 0.00039625 -0.00022523
0.00384585 -0.05147246 -0.02735706
-14.93624117 6.84381740 -4.95508268
-0.00012199 -0.00042942 -0.00049479
-0.00423174 -0.00740124 0.00941999
-5.29954985 -16.14516953 21.33138173
0.00020554 0.00037566 -0.00044912
-0.01038279 -0.00492156 -0.01125388
-3.01409440 -15.46516262 19.57417164
-0.00000013 0.00037412 0.00053869
-0.00496620 -0.00110668 0.00052307
-6.52053964 6.68126651 -6.54043798
-0.00011678 -0.00002310 -0.00034843
0.00492813 0.02402841 0.00415974
-7.31367713 9.38497121 -5.35886621
-0.00122068 0.00004290 0.00011440
-0.00918796 -0.00201177 -0.00119161
-20.68353919 31.08332624 -0.15712898
-0.00066114 -0.00012949 0.00048261
0.00271617 -0.01122278 0.01338374
-18.08325717 30.72772267 1.02154934
-0.00005019 -0.00062957 -0.00078057
0.03862201 0.00311336 -0.00389711
9.12739900 2.99089148 6.72188572
-0.00032760 0.00049215 0.00021226
0.02563366 0.00896921 0.03701206
9.92923672 5.30175305 8.37867879
-0.00030031 -0.00008933 -0.00006917
-0.01646852 0.05468476 0.01005172
8.51780203 17.82823146 -12.44867030
0.00005508 0.00081281 0.00037353
0.00269543 -0.00798317 -0.00328991
8.63755612 15.23636650 -11.21634779
-0.00041578 -0.00006414 -0.00024717
0.01203003 -0.00766221 0.00094812
12.72455716 5.59551124 0.18266672
-0.00047590 0.00011761 0.00012120
0.02980181 -0.00703138 -0.03045750
14.29338118 3.46410867 0.68912934
0.00042136 -0.00072833 0.00072399
0.00825257 -0.02109648 0.00718188
-4.53186723 11.70771745 -2.78196953
-0.00129020 0.00050531 0.00086477
0.00125605 -0.01330424 0.01882026
-5.55971433 10.35691374 -0.23560339
0.00033306 -0.00070461 -0.00069575
0.00930966 0.00568051 -0.02036519
7.89236175 13.38563979 4.73098192
-0.00010949 -0.00210980 0.00024462
-0.00142216 -0.00072074 0.00094431
10.07499219 11.43945116 4.51167528
0.00009285 -0.00013469 0.00020607
-0.00867364 -0.00450360 0.00151997
18.62642479 -11.41025614 -9.16579111
0.00118100 0.00116645 -0.00002269
-0.00759247 -0.00045899 0.01029296
20.58901961 -12.74620878 -10.65804953
-0.00006431 0.00015379 0.00024665
0.02717999 -0.05709151 -0.00210638
18.84684146 -5.15241949 -1.86200249
0.00013855 0.00050456 0.00103626
0.00792905 0.00225318 -0.00799904
18.12449958 -7.44553320 -0.34998632
-0.00005782 0.00005688 0.00003960
0.01004838 0.00525711 0.00868558
15.18622753 9.30464852 9.32983386
-0.00062489 -0.00015462 -0.00009024
0.00622240 -0.01782993 0.00577459
16.55076769 7.58289528 11.36141830
0.00026029 0.00062364 -0.00016038
-0.00839551 0.00250351 -0.01502680
2.65227861 -15.74797391 17.34895389
-0.00014116 0.00058538 0.00136425
0.00262946 -0.00289033 -0.00497002
3.50401850 -12.90954926 17.22514445
-0.00115550 -0.00005345 0.00081536
-0.00230880 0.00814295 0.00030264
-4.04271411 -4.33990754 -13.56677759
-0.00039118 -0.00002329 -0.00031937
-0.00580705 0.01721529 -0.00310718
-1.83453902 -2.30621313 -13.34509925
-0.00020930 0.00012499 -0.00002689
-0.00943151 0.00117429 -0.00172441
16.06545106 -7.44517539 -14.93875221
-0.00023953 0.00052896 0.00012359
-0.00077543 -0.00397901 -0.00484021
17.15729693 -7.71804985 -12.13958077
0.00043607 0.00019410 0.00060622
-0.00635802 0.01024517 -0.00630132
9.64019705 -4.52239180 4.85111220
-0.00056238 0.00055841 0.00053715
-0.00771972 0.00451475 0.02391883
12.15983174 -4.75132431 5.69742363
0.00004044 0.00059495 0.00040900
0.04575640 -0.00206702 -0.00595261
-21.07580858 0.05855618 24.55944421
-0.00051554 0.00030174 -0.00021429
-0.01945458 -0.02524218 -0.00509582
-20.12367931 2.49782306 25.62032248
-0.00026216 -0.00013528 -0.00124754
0.00967419 -0.01272001 -0.00231618
24.61327963 -2.49008092 -7.23327765
-0.00045040 0.00012612 0.00030277
0.00999950 -0.00748881 0.00373589
24.12933490 -0.50505204 -9.37260671
-0.00005372 -0.00064763 0.00012354
-0.00182475 0.00024559 0.02635047
12.54649912 -10.22778153 -9.83760093
-0.00001233 -0.00058768 0.00072573
0.00482274 0.00170253 0.01470200
12.43200594 -8.48232615 -12.09302018
0.00033486 0.00044412 -0.00020500
0.00237169 0.00596730 -0.00722541
-9.37401376 -9.10741778 18.21352656
-0.00006749 0.00016992 0.00056211
0.00013078 -0.00519128 -0.00570702
-11.46432165 -10.03075832 16.58910260
0.00000694 0.00155263 0.00055348
-0.04543048 -0.00257358 0.00302198
8.43886511 0.49741529 -30.07474312
-0.00050605 -0.00088439 -0.00048544
0.00128270 0.00546104 0.01450045
5.75120988 0.90579593 -28.97921449
0.00012846 -0.00060124 -0.00080686
-0.02282294 0.00433221 -0.00396378
12.45992625 19.61296159 12.49125984
-0.00017324 0.00070346 0.00030531
0.00666585 -0.02447410 -0.00660628
13.91523528 17.37776368 11.00530862
-0.00038587 -0.00061120 -0.00132807
-0.00529862 0.01089145 -0.00036510
27.74858138 7.70342118 -11.62638907
0.00023295 0.00015684 0.00064141
-0.02385550 -0.00533656 -0.00118491
26.00909537 7.44179441 -9.26743302
-0.00033433 -0.00088029 -0.00038033
-0.00661497 0.00170839 -0.00753951
-7.16382996 4.59259892 6.69618839
0.00028436 -0.00006445 -0.00003948
-0.00062903 -0.00738433 -0.00469868
-8.97484626 8.74935068 3.87284152
0.00022972 -0.00007567 0.00002787
-0.00223799 -0.00934593 -0.00369294
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07849814
0.27470160
366.02610365
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3186541454 (a.u.)
total exchange computation time: 3.1574230194 s
-153.8729500818
-931.34805662
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3187614165 (a.u.)
total exchange computation time: 3.1565010548 s
-153.8734206652
Anderson extrapolation: theta=1.3388559323 (1.3388559323)
-931.34830925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3188560022 (a.u.)
total exchange computation time: 3.1573338509 s
-153.8745277071
Anderson extrapolation: theta=0.0505845379 (0.0505845379)
-931.34845882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3188175979 (a.u.)
total exchange computation time: 3.1557209492 s
-153.8750361427
Anderson extrapolation: theta=1.9017551039 (1.9017551039)
-931.34846421
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3187291548 (a.u.)
total exchange computation time: 3.1602261066 s
-153.8761086176
Anderson extrapolation: theta=0.2259629045 (0.2259629045)
-931.34846969
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3187056418 (a.u.)
total exchange computation time: 3.1566767693 s
-153.8763480357
Anderson extrapolation: theta=1.8796120929 (1.8796120929)
-931.34847070
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3186754330 (a.u.)
total exchange computation time: 3.1551179886 s
-153.8766402635
Anderson extrapolation: theta=0.2884090233 (0.2884090233)
-931.34847186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3186805964 (a.u.)
total exchange computation time: 3.1565558910 s
-153.8765758908
Anderson extrapolation: theta=1.2748036977 (1.2748036977)
-931.34847211
73.176752 112.709803 -295.055908
547.089111 1079.712516 -416.209411
620.265862 1192.422318 -711.265319
1520.690330
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638808140
ExchangeOperator: pair fraction: ispin=0: 0.1629637642
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3186967009 (a.u.)
total exchange computation time: 3.1557161808 s
678.09143194
-1082.03886013
89.83745119
-390.24337073
-174.67642780
77.31870859
551.60419304
0.00000000
-931.34847223
3.71377679 -31.37484224 -3.83157452
-0.00038563 0.00040726 0.00000160
-0.00168291 -0.01516900 0.01842940
-11.15673467 2.23478839 -9.32395820
-0.00005309 -0.00007861 -0.00006816
0.02272510 0.01810522 -0.01437459
-37.08968425 1.89252386 3.94438112
0.00025136 0.00024361 0.00011811
-0.02022759 -0.00840049 -0.00618116
-7.73336138 -3.60967625 3.03486197
0.00007566 -0.00012682 -0.00027009
-0.00692705 0.00698112 -0.00862123
2.26173257 -0.08741641 9.70696402
0.00025975 0.00018919 -0.00010397
-0.04325522 0.04940148 -0.00396420
-31.24572292 1.37698795 3.51279696
-0.00011845 -0.00005214 -0.00004258
-0.02654020 0.05932102 -0.01360267
16.41682798 13.28045059 -17.69794929
0.00014852 -0.00010504 0.00012149
-0.00130102 -0.03554738 -0.02200001
-3.23652160 4.94565875 4.27391333
-0.00017259 -0.00022526 -0.00054388
-0.02335780 -0.00393540 -0.03462991
4.82496984 17.36341467 -6.54686660
-0.00002876 0.00009189 -0.00013885
0.03952787 0.02409385 -0.00412717
8.28495550 7.24049905 -21.17592877
0.00005618 0.00055817 -0.00013688
0.00348518 -0.00297508 0.00979519
19.71493532 18.84364957 -5.36695066
0.00056092 -0.00011365 0.00001585
0.00382065 0.02215043 0.01446446
2.02242539 14.69147774 -21.43556129
-0.00006837 -0.00009465 0.00010610
0.04698636 0.00260687 0.00019295
10.49642221 -5.54486508 0.09534728
-0.00002780 -0.00005961 -0.00023136
-0.00291552 0.00470921 0.00182019
-16.55177782 -5.54027019 4.86881335
0.00025103 -0.00005997 -0.00020358
-0.01486661 0.00202332 -0.01396410
-14.24383241 -1.53972272 20.75010069
0.00011868 -0.00002665 0.00009396
-0.00857754 0.02586384 -0.02309745
0.89803162 3.66922514 -4.76741101
-0.00043528 0.00003698 -0.00014673
0.00356038 -0.00837137 -0.01961685
20.96835002 -9.59515834 -4.13698033
-0.00023944 0.00013955 -0.00042751
-0.05126483 -0.01704523 0.03378676
2.78767383 -10.82577487 6.76286388
-0.00019022 0.00000950 -0.00021777
0.05377121 -0.02337765 0.01955576
-1.77889495 -1.74326001 -19.46190484
-0.00018012 -0.00014590 0.00037267
-0.00950770 -0.01788797 -0.03807617
-0.61664495 5.09517546 -11.27824266
0.00001047 0.00023598 0.00012756
-0.00160923 -0.01308025 0.02884280
-4.89561604 15.47228235 13.49981327
0.00001936 -0.00007901 0.00020726
0.01692726 0.02528822 0.05460470
-4.95830205 3.06683163 -7.86443139
-0.00001382 0.00014931 -0.00046869
-0.01259085 -0.00629254 0.00705412
-8.65596467 0.12123527 -4.46043094
0.00001038 -0.00016276 0.00038622
0.01160617 -0.01994627 -0.00789865
2.94471935 27.87033459 5.71140189
0.00014658 -0.00020434 0.00004568
0.00392388 -0.00803597 -0.02288278
8.69941335 -9.62661241 -2.10076223
-0.00004303 0.00016571 0.00003068
0.02764041 0.00247576 0.01940280
-6.35713135 1.38618795 9.86476403
0.00028672 0.00021732 0.00038692
0.02348147 -0.04167651 -0.00373726
19.72826589 9.57970965 6.06141399
0.00012578 -0.00013970 -0.00044626
0.04934339 0.03023912 0.02549447
-3.38420714 0.64600715 -24.29244606
0.00007440 -0.00017080 0.00014754
-0.06109880 0.00264020 -0.04730009
-13.62680141 8.43059495 9.48543217
-0.00006309 0.00003305 -0.00010612
0.00691490 0.02274519 -0.01637235
-13.84200349 5.76241480 -3.92790472
0.00027880 -0.00009704 0.00008987
0.00263091 0.05420817 0.02027387
-3.80725936 -15.10463091 21.17551703
0.00002351 0.00009050 0.00016548
0.01800795 0.00698870 0.01043727
-6.28189295 8.54242712 -6.58819176
-0.00022744 0.00016214 0.00035045
0.00904611 -0.02493926 -0.01156748
-19.77428288 30.27755751 1.23872321
0.00004560 0.00028354 0.00018760
-0.03979628 0.00719095 -0.01146360
10.33081794 3.62072189 8.16358537
-0.00014046 0.00016851 -0.00008057
-0.01427456 -0.06477048 -0.04895592
7.46912128 16.50408035 -11.74059628
-0.00010724 -0.00002858 -0.00000882
-0.02181008 0.01433351 0.00556164
14.05106701 4.54857877 -0.74859357
0.00007420 -0.00020524 0.00039813
-0.04019146 0.01708593 0.03013519
-5.63916290 11.86212033 -1.30869565
-0.00027638 -0.00004468 -0.00011437
-0.01549467 0.01663987 0.00958466
8.28085880 11.59167697 4.94803172
0.00028105 -0.00048531 -0.00012937
0.00779205 -0.00440248 0.00275414
19.85781766 -11.19014503 -10.47187068
-0.00000385 0.00002334 -0.00026970
-0.01225150 0.05516877 -0.00903110
19.19709245 -5.87188922 -0.23024307
0.00022230 0.00024805 0.00008604
-0.01853616 -0.01312762 0.00576020
15.96717314 7.63741757 9.59906983
-0.00015716 -0.00021746 0.00005471
-0.00545444 0.01826441 0.01123938
3.86309940 -14.57738895 16.59133836
-0.00005970 -0.00027603 -0.00013522
-0.00056510 0.00907577 -0.00303870
-3.60064042 -2.51109882 -13.86161409
-0.00045645 -0.00022345 -0.00037002
0.02031882 -0.00267486 0.00613021
16.20532918 -6.59380035 -13.27542737
0.00024684 0.00050356 0.00030000
0.00224116 -0.01961885 0.00387699
10.60570104 -4.38486028 6.45200088
-0.00010668 -0.00024555 0.00029113
-0.03775697 0.00165528 -0.01572732
-19.52692878 0.81175223 25.05153410
0.00003904 0.00012169 0.00036115
-0.00155998 0.03895156 0.01009555
24.06552567 -0.76401460 -7.46624658
-0.00006121 0.00005951 0.00019430
-0.01153616 0.01304057 -0.03465932
11.48996029 -9.76598397 -11.23010532
-0.00000361 0.00010105 0.00005219
0.00026894 -0.00577863 0.00066697
-9.72741617 -9.94208014 16.61816211
-0.00002529 -0.00007579 0.00027326
0.05231642 0.00994248 0.00406278
7.35643674 0.22530598 -28.57611349
0.00002029 -0.00039451 -0.00006705
0.02083144 -0.00967696 -0.00275100
12.58502377 17.76266535 12.23776240
-0.00006047 0.00002893 0.00010027
0.00399742 0.02322014 0.00441082
25.91359249 7.39980919 -11.13579246
0.00009603 0.00022920 -0.00011844
0.03699701 0.01140261 0.00931685
3.64248687 -29.88790954 -4.88210410
0.00024824 0.00007721 0.00004479
0.00964361 0.01349141 -0.00231529
3.39097020 -30.79366924 -2.05335519
-0.00014793 0.00022653 -0.00052385
0.00202253 0.00526198 -0.01698701
-9.68014840 3.30596729 -8.74836994
0.00029402 -0.00066271 -0.00026660
-0.03278300 -0.02464530 -0.01286355
-11.51841296 2.65189778 -11.18070801
-0.00041557 -0.00016338 0.00022025
0.00619716 0.00067617 0.02411818
-36.96455976 3.48643874 3.09367883
0.00074915 -0.00065289 -0.00007276
-0.00183114 0.01330264 -0.00471583
-38.97587456 1.43326813 3.63198601
-0.00040288 0.00041208 0.00065822
0.03851524 -0.00051754 0.00855435
-8.96749168 -3.86912474 1.65976575
-0.00080566 -0.00062548 0.00068752
0.00620187 -0.01057460 0.00753910
-6.30424848 -4.66139302 2.64131141
0.00013177 0.00003873 0.00003380
-0.00089343 -0.00514763 -0.00067388
3.42068824 -1.21860802 9.10291812
-0.00028752 -0.00001727 -0.00002365
0.04020496 -0.03738950 -0.02422297
1.93530990 1.13807046 8.31454396
-0.00080756 -0.00061151 -0.00003922
0.00448983 -0.01492939 0.02271410
-30.86258552 -0.32640734 3.77566854
0.00006434 0.00036630 0.00026829
0.00513039 -0.04170055 0.00183471
-33.07917328 1.60315355 3.17003874
-0.00015867 -0.00031229 0.00078062
0.02308278 -0.01578101 0.01015618
15.51189399 11.78736745 -18.57600924
-0.00031877 -0.00064809 -0.00117947
0.00347330 0.03809779 0.02288231
17.92247028 12.27942069 -17.26289359
0.00054080 -0.00021033 -0.00001570
-0.00029953 0.00639033 0.00367780
-2.91715994 6.49890763 5.17591324
0.00063435 0.00029628 -0.00027571
0.00906891 0.00950663 0.00282673
-3.84941758 5.61343656 2.60452145
0.00000889 0.00048176 -0.00025908
0.01857888 -0.01192999 0.02725190
5.82989158 16.78101555 -8.04731479
0.00086371 0.00005196 -0.00100554
-0.01360710 0.01217104 0.01390982
5.88249817 18.86477010 -5.86802821
-0.00085348 -0.00023511 0.00102490
-0.02472434 -0.03865349 -0.01878892
8.81148091 6.44795037 -22.76549967
0.00120919 -0.00040805 0.00052479
-0.00205934 0.00391242 0.00350809
9.69551638 7.43424451 -19.95337033
-0.00034399 -0.00019078 -0.00049723
-0.00956896 0.00237296 -0.01773871
19.51584876 20.13796567 -3.91633385
0.00064940 0.00071171 -0.00072233
0.00502367 -0.01564126 -0.03858671
20.84118173 19.60744778 -6.66186294
0.00033103 0.00003732 0.00070776
-0.01211952 -0.00066376 0.02343952
2.02608430 12.99025543 -20.82071858
-0.00037746 0.00015412 0.00007144
-0.01707156 -0.00019543 0.00771432
0.44407651 15.38804238 -21.91908579
0.00020703 -0.00047282 -0.00009238
-0.03247282 -0.00541861 -0.00157879
9.79534285 -7.16544393 -0.48253213
0.00022843 0.00071357 0.00034496
0.00259788 0.01396405 0.00024403
9.24919655 -4.24037566 -0.38845641
0.00029068 -0.00053344 0.00028558
0.00765489 -0.00665625 0.00062360
-16.97779256 -6.49162985 6.38336993
-0.00025123 -0.00048635 -0.00028806
-0.00737672 0.00796095 -0.00698276
-18.05370531 -5.36024578 3.73646581
-0.00035624 0.00044265 0.00023629
0.02116919 -0.01218182 0.02163629
-14.27690767 -0.92493454 18.90633817
0.00017141 -0.00002999 -0.00039635
-0.00470550 -0.00290822 0.04330970
-15.03114226 -0.28351700 21.89979790
-0.00025269 0.00035715 -0.00065480
0.00948677 -0.01492405 -0.02064597
-0.15609030 2.92726238 -3.54671045
0.00003195 -0.00016101 0.00057946
-0.01997242 -0.00058958 0.03046520
0.84257213 2.22728930 -5.92604366
0.00038515 -0.00019926 -0.00048646
0.01309204 0.00652637 -0.00542326
20.14890812 -9.10454196 -5.61950368
-0.00088902 -0.00009467 -0.00013753
-0.00402701 0.00986058 -0.03159038
22.71402408 -9.52695694 -4.25867860
0.00053144 0.00048773 0.00092863
0.04548596 0.00336689 -0.01123584
4.69094817 -11.30911773 6.51652867
0.00071626 -0.00001621 0.00056061
-0.05457445 0.01513904 -0.00240089
2.52910932 -11.60375073 8.44952285
-0.00021794 0.00012557 0.00079234
0.00175408 0.01068475 -0.01478104
-2.69808613 -3.11017916 -20.47648051
-0.00040115 -0.00062634 -0.00082328
0.01874441 0.02022188 0.02893149
-2.61474600 -1.38107520 -17.90584253
-0.00020181 -0.00000463 -0.00017894
-0.01094939 -0.00512540 0.00746372
1.16342228 5.66861170 -11.32859493
0.00103714 0.00082061 -0.00106305
-0.01352237 -0.00733084 0.00636794
-0.88093559 4.20016612 -9.61508338
-0.00053025 0.00055254 -0.00076496
0.00332392 0.02020081 -0.03323800
-4.03741443 16.57581634 14.87080925
-0.00001541 0.00138444 0.00040007
-0.01389915 -0.02176482 -0.03060995
-6.64496242 15.94136362 13.82758358
-0.00007900 0.00068438 -0.00043493
0.00096881 -0.00331532 -0.00294121
-5.53267274 2.05188803 -6.42225286
0.00054741 0.00017687 -0.00013379
0.00365800 0.00474334 -0.01658503
-5.64227795 2.24755326 -9.44176955
0.00037622 -0.00085820 -0.00058811
0.00978599 0.00705827 0.01279417
-9.43868831 -1.54642184 -4.28025895
0.00086829 0.00005658 -0.00076915
0.00396005 0.01850125 0.00451375
-9.35103843 1.28011260 -3.26973898
0.00039377 -0.00115633 -0.00022069
-0.01138966 0.00459934 0.01027410
2.44403860 29.10081090 4.38628402
-0.00021584 0.00048194 -0.00097034
0.00010370 -0.00924092 0.02262063
2.60641989 28.40899905 7.40098281
-0.00074280 -0.00121215 -0.00039212
-0.00436079 0.00941941 -0.00184720
7.35245141 -10.17966211 -3.07396084
-0.00096176 0.00039539 -0.00022589
-0.04214418 -0.00058165 -0.02674468
8.79707249 -10.93954195 -0.86786958
0.00053580 -0.00002472 -0.00007292
0.00687090 -0.01322839 0.01377474
-5.42169393 -0.35006645 9.61334326
-0.00050262 -0.00066249 0.00024364
-0.00349156 0.03547701 -0.00585540
-8.03841042 0.77622519 10.01671268
0.00050058 -0.00030522 -0.00033124
-0.02079866 0.00149510 0.00180574
19.33503922 9.50338309 7.90489403
-0.00032162 0.00056602 -0.00005431
0.00152689 0.00149451 -0.02309800
21.53693201 10.36592787 6.01206777
-0.00050717 -0.00051063 0.00026167
-0.04330200 -0.02436635 -0.00020652
-2.89625485 0.45247330 -22.62269898
-0.00056322 0.00075782 -0.00070308
0.01077153 -0.00639187 0.05061981
-5.34007026 0.63900800 -24.31627994
-0.00047483 -0.00056300 -0.00062039
0.05131189 -0.00106094 -0.00159185
-12.72616682 9.51334318 10.67510406
-0.00039906 0.00027339 -0.00005048
-0.00036065 -0.00495889 -0.00140695
-13.41993557 9.56184409 7.96991442
-0.00023690 0.00019256 0.00008982
-0.01061190 -0.01597146 0.01146478
-13.77031960 4.27197153 -4.79841082
-0.00010346 0.00018146 -0.00033850
0.00436879 -0.05366945 -0.02808856
-14.93820073 6.83714931 -4.96221583
-0.00013629 -0.00046055 -0.00045223
-0.00276552 -0.00783500 0.01141300
-5.29678497 -16.13968546 21.32430015
0.00015837 0.00035235 -0.00049374
-0.01270691 -0.00648791 -0.01058799
-3.01424851 -15.45958477 19.58226798
-0.00001721 0.00036883 0.00053486
-0.00339564 -0.00148095 -0.00239576
-6.52214028 6.68165636 -6.54553693
-0.00009696 0.00007646 -0.00033105
0.00477133 0.02470596 0.00434771
-7.33226895 9.38555313 -5.35718678
-0.00125509 0.00003181 0.00010560
-0.00765192 -0.00341829 -0.00311549
-20.69337312 31.08104001 -0.14947969
-0.00064997 -0.00017459 0.00053660
0.00275155 -0.01085600 0.01304438
-18.08282656 30.71837453 1.00972130
0.00010989 -0.00061627 -0.00079763
0.03974027 0.00339490 -0.00445253
9.12327048 2.99854854 6.72620381
-0.00022391 0.00052727 0.00036135
0.02512449 0.00822552 0.03596756
9.92422741 5.30208878 8.37794920
-0.00036761 0.00013637 -0.00002727
-0.01647535 0.05579632 0.01045896
8.51871084 17.84017900 -12.44316811
0.00006179 0.00077340 0.00036342
0.00059033 -0.01130892 -0.00165939
8.63168809 15.23516959 -11.22002629
-0.00036344 -0.00009777 -0.00024250
0.01358929 -0.00879999 0.00133633
12.71833194 5.59705992 0.18355137
-0.00035008 0.00008504 -0.00000359
0.03178473 -0.00891236 -0.03062757
14.29995443 3.45253731 0.70020923
0.00045206 -0.00080686 0.00074597
0.00677761 -0.01734805 0.00357822
-4.55118173 11.71488946 -2.76842133
-0.00127228 0.00044966 0.00092313
0.00751562 -0.01393748 0.00974964
-5.55443308 10.34651867 -0.24666371
0.00037036 -0.00067861 -0.00077969
0.00894597 0.00704434 -0.02072488
7.89067584 13.35397077 4.73468009
-0.00011991 -0.00208994 0.00024555
-0.00367977 0.01044175 -0.00048675
10.07611920 11.43729283 4.51481288
0.00006144 -0.00015362 0.00021126
-0.00670493 -0.00476384 0.00102078
18.64390716 -11.39277353 -9.16581598
0.00114152 0.00116327 0.00002834
-0.01173297 -0.00109680 0.01468556
20.58888779 -12.74565142 -10.65441440
0.00004736 -0.00008119 0.00023846
0.02748299 -0.05793092 -0.00190024
18.84916262 -5.14478211 -1.84670374
0.00016859 0.00051834 0.00099278
0.00677604 0.00449618 -0.01328093
18.12394013 -7.44451889 -0.34912615
-0.00001487 0.00008137 0.00007530
0.01097642 0.00673218 0.00879044
15.17704485 9.30178288 9.32865719
-0.00059807 -0.00023032 -0.00006662
0.00690469 -0.01922725 0.00578864
16.55441471 7.59232654 11.35855220
0.00022659 0.00063301 -0.00021986
-0.00809774 0.00208602 -0.01409362
2.65024174 -15.73928172 17.36926528
-0.00012828 0.00057163 0.00134104
0.00367531 -0.00384068 -0.00639051
3.48661525 -12.91010154 17.23738405
-0.00115999 -0.00002957 0.00081050
0.00010971 0.00354647 -0.00268023
-4.04875981 -4.33972933 -13.57166328
-0.00041502 0.00004419 -0.00033140
-0.00586240 0.01581657 -0.00278226
-1.83796750 -2.30430236 -13.34555544
-0.00025299 0.00012885 -0.00003551
-0.01195813 0.00071573 -0.00249414
16.06183442 -7.43736290 -14.93704662
-0.00024189 0.00051291 0.00010583
-0.00038085 -0.00387662 -0.00385564
17.16364308 -7.71482443 -12.13068052
0.00040693 0.00023943 0.00057675
-0.00790226 0.01194296 -0.00812807
9.63152475 -4.51387726 4.85990235
-0.00059288 0.00057576 0.00063430
-0.00721038 0.00397647 0.02363923
12.16184041 -4.74246345 5.70337617
0.00022654 0.00058669 0.00038342
0.04534126 -0.00197389 -0.00656606
-21.08413782 0.06230881 24.55607378
-0.00058608 0.00020129 -0.00023232
-0.01507772 -0.02393057 -0.00373395
-20.12731519 2.49540413 25.60153839
-0.00022403 -0.00017925 -0.00125324
0.00898687 -0.00880669 -0.00047582
24.60683005 -2.48841854 -7.22862166
-0.00040863 0.00009317 0.00031892
0.01044840 -0.00864039 0.00416894
24.12847312 -0.51475898 -9.36994615
-0.00006151 -0.00064524 0.00023055
-0.00198872 0.00092638 0.02602995
12.54646193 -10.23654463 -9.82626440
0.00000141 -0.00057669 0.00077609
0.00190269 0.00367755 0.00994672
12.43710151 -8.47548152 -12.09631664
0.00034065 0.00046145 -0.00022892
0.00046090 0.00251597 -0.00448419
-9.37502204 -9.10502810 18.22178328
-0.00006633 0.00014641 0.00053442
0.00043601 -0.00631400 -0.00784512
-11.46560965 -10.00754770 16.59749746
-0.00018012 0.00154244 0.00056489
-0.04613660 -0.00241340 0.00255972
8.43131372 0.48431685 -30.08158033
-0.00049923 -0.00086245 -0.00042580
0.00205267 0.00527688 0.01468972
5.75243749 0.89691010 -28.99143888
0.00003505 -0.00058397 -0.00082181
-0.02290512 0.00412141 -0.00335446
12.45753189 19.62276349 12.49563701
-0.00014474 0.00059516 0.00027617
0.00728799 -0.02853705 -0.00765798
13.90928484 17.36892947 10.98537643
-0.00041465 -0.00056334 -0.00132185
-0.00878693 0.01253569 0.00340744
27.75134467 7.70561022 -11.61680426
0.00013651 0.00013516 0.00063458
-0.02335357 -0.00527317 -0.00215706
26.00387770 7.42864243 -9.27336905
-0.00036149 -0.00087268 -0.00040692
-0.00668006 0.00201771 -0.00547621
-7.15956625 4.59161238 6.69558358
0.00028413 -0.00006707 -0.00004116
-0.00064126 -0.00729206 -0.00470977
-8.97140437 8.74819937 3.87325311
0.00022921 -0.00007782 0.00002700
-0.00213565 -0.00919269 -0.00378323
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07847070
0.27000152
359.76349546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3176687553 (a.u.)
total exchange computation time: 3.1559400558 s
-153.8639107735
-931.34617191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3177370701 (a.u.)
total exchange computation time: 3.1542580128 s
-153.8645703035
Anderson extrapolation: theta=1.3642693915 (1.3642693915)
-931.34644272
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3177682488 (a.u.)
total exchange computation time: 3.1547169685 s
-153.8659663303
Anderson extrapolation: theta=0.0622547674 (0.0622547674)
-931.34661204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3177154323 (a.u.)
total exchange computation time: 3.1530749798 s
-153.8665256550
Anderson extrapolation: theta=2.3433480234 (2.0000000000)
-931.34662153
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3175882867 (a.u.)
total exchange computation time: 3.1541249752 s
-153.8677365084
Anderson extrapolation: theta=0.4679346579 (0.4679346579)
-931.34663476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3175279042 (a.u.)
total exchange computation time: 3.1574330330 s
-153.8682085854
Anderson extrapolation: theta=1.1206945492 (1.1206945492)
-931.34663920
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3174776846 (a.u.)
total exchange computation time: 3.1555619240 s
-153.8684981538
Anderson extrapolation: theta=0.5786341663 (0.5786341663)
-931.34664260
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3174693194 (a.u.)
total exchange computation time: 3.1571848392 s
-153.8684249228
Anderson extrapolation: theta=0.7602050706 (0.7602050706)
-931.34664380
73.194177 112.644492 -295.090374
547.026914 1079.730946 -416.218223
620.221091 1192.375438 -711.308597
1520.655551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1641752299
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3174794549 (a.u.)
total exchange computation time: 3.1535861492 s
678.06774536
-1081.99011067
89.84117998
-390.27554707
-174.67243234
77.29288107
551.60419304
0.00000000
-931.34664419
3.70798586 -31.36879188 -3.83147939
-0.00038633 0.00039871 0.00001066
-0.00104596 -0.01807042 0.01677413
-11.15744332 2.23367906 -9.32503603
-0.00004160 -0.00006961 -0.00007535
0.02194185 0.01688865 -0.01359215
-37.08599184 1.89614555 3.94612886
0.00024040 0.00023799 0.00011558
-0.02238363 -0.01345482 -0.00365736
-7.73225321 -3.61155167 3.03077736
0.00007190 -0.00012299 -0.00027419
-0.00767238 0.00793836 -0.00732064
2.26546204 -0.08438793 9.70538913
0.00023734 0.00021437 -0.00010526
-0.04390489 0.04850292 -0.00103958
-31.24760210 1.37643471 3.51210584
-0.00013193 -0.00002122 -0.00004956
-0.02586263 0.06092645 -0.01353455
16.41905074 13.27873788 -17.69621176
0.00014782 -0.00012412 0.00010981
-0.00143245 -0.03864718 -0.02341966
-3.23920055 4.94226467 4.26562158
-0.00018424 -0.00022603 -0.00056083
-0.02195562 0.00093846 -0.03128201
4.82469094 17.36488591 -6.54896527
-0.00000803 0.00010335 -0.00014218
0.04108348 0.02047337 -0.00882167
8.28581162 7.24886010 -21.17794425
0.00005768 0.00055623 -0.00013290
0.00234861 -0.00454645 0.00568019
19.72336393 18.84203023 -5.36665715
0.00056243 -0.00010230 0.00002383
0.00202252 0.02198568 0.01657628
2.02158101 14.69006809 -21.43396899
-0.00004382 -0.00009310 0.00010619
0.04850984 0.00341818 0.00015332
10.49599393 -5.54574104 0.09188386
-0.00002797 -0.00005646 -0.00022962
0.00227195 0.00751580 0.00494522
-16.54806967 -5.54116192 4.86570576
0.00024279 -0.00005916 -0.00021050
-0.01718679 0.00111270 -0.01294485
-14.24208530 -1.54002263 20.75142095
0.00011425 -0.00001316 0.00008142
-0.00864196 0.02659167 -0.02565891
0.89151617 3.66974756 -4.76968762
-0.00043384 0.00003201 -0.00015656
0.00204328 -0.01094339 -0.01860820
20.96456063 -9.59313078 -4.14326261
-0.00026416 0.00013069 -0.00041006
-0.04483582 -0.01742972 0.03407013
2.78502788 -10.82572251 6.75967282
-0.00016195 -0.00000315 -0.00020645
0.05617488 -0.02582669 0.02446410
-1.78163342 -1.74551747 -19.45646161
-0.00018497 -0.00015602 0.00035159
-0.00935921 -0.02149372 -0.04392930
-0.61649415 5.09866477 -11.27621803
0.00001129 0.00023058 0.00014077
0.00479775 -0.00793071 0.02254780
-4.89526031 15.47119473 13.50313287
0.00002819 -0.00006523 0.00023606
0.01740547 0.02831352 0.05738780
-4.95855788 3.06904705 -7.87143457
-0.00002041 0.00014578 -0.00046527
-0.01306150 -0.00743689 0.00626762
-8.65576424 0.11871697 -4.45466811
0.00001803 -0.00017350 0.00038027
0.01813886 -0.02183008 -0.01522429
2.94693311 27.86723853 5.71199883
0.00014838 -0.00020765 0.00003147
0.00308923 -0.00485255 -0.03236423
8.69887450 -9.62411714 -2.10022719
-0.00003041 0.00016630 0.00003956
0.02144242 -0.00019866 0.01512862
-6.35274002 1.38928705 9.87055339
0.00029888 0.00019525 0.00038485
0.02382332 -0.04417356 -0.00430191
19.73034299 9.57773076 6.05481850
0.00015024 -0.00012449 -0.00043229
0.04574123 0.02890698 0.02881528
-3.38332679 0.64345537 -24.29041542
0.00004173 -0.00016929 0.00012058
-0.06594337 0.00323105 -0.05755103
-13.62772104 8.43117840 9.48377725
-0.00005957 0.00004475 -0.00011434
0.00675680 0.02274399 -0.01561824
-13.83781140 5.76116829 -3.92647847
0.00027973 -0.00006916 0.00009967
0.00101803 0.05421064 0.01782682
-3.80683722 -15.10324650 21.17803955
0.00003283 0.00009452 0.00017147
0.01821182 0.00863939 0.01282271
-6.28526966 8.54476298 -6.58297961
-0.00022315 0.00014964 0.00034493
0.00765130 -0.02365622 -0.00988904
-19.77375246 30.28183837 1.24149293
0.00002533 0.00028714 0.00018202
-0.03901271 0.00678392 -0.01023800
10.32865594 3.62299966 8.16218797
-0.00014769 0.00013579 -0.00010538
-0.01381320 -0.06247415 -0.04750948
7.46742858 16.50370698 -11.74070715
-0.00011828 -0.00002024 -0.00000631
-0.02111495 0.01809272 0.00419018
14.05202492 4.54556607 -0.74250534
0.00005363 -0.00019706 0.00041449
-0.03979339 0.01471781 0.03346672
-5.64336840 11.86151432 -1.31037430
-0.00028595 -0.00003623 -0.00010693
-0.02170790 0.01623050 0.01937678
8.28510458 11.58438031 4.94610185
0.00028517 -0.00049050 -0.00012741
0.00823636 -0.01576592 0.00483999
19.85771269 -11.18958209 -10.47595099
-0.00000896 0.00005138 -0.00027562
-0.00763499 0.05385688 -0.01400070
19.20035546 -5.86821907 -0.22893029
0.00021281 0.00024043 0.00009025
-0.01835381 -0.01649444 0.01064020
15.96479473 7.63422612 9.59993391
-0.00016019 -0.00020770 0.00006019
-0.00633321 0.01970003 0.01005334
3.86220175 -14.58149439 16.58929835
-0.00006082 -0.00027002 -0.00013573
-0.00380083 0.01427726 0.00106695
-3.60740885 -2.51446090 -13.86714076
-0.00044540 -0.00022415 -0.00036674
0.02268138 -0.00006328 0.00663603
16.20904042 -6.58632260 -13.27091237
0.00024806 0.00049290 0.00030201
0.00252072 -0.02184667 0.00393676
10.60395518 -4.38853716 6.45630718
-0.00012564 -0.00024468 0.00028319
-0.03598809 0.00172228 -0.01514437
-19.52634925 0.81372787 25.05699027
0.00003714 0.00014015 0.00036549
-0.00581991 0.03281999 0.00680123
24.06456304 -0.76307167 -7.46346580
-0.00006715 0.00006624 0.00017654
-0.01158537 0.01315304 -0.03440856
11.48990710 -9.76449057 -11.22931985
-0.00000226 0.00009840 0.00005307
0.00501622 -0.00450109 0.00275625
-9.72759377 -9.94317867 16.62227662
0.00000110 -0.00007050 0.00027590
0.05030966 0.01062044 0.00621484
7.35682139 0.21935107 -28.57712977
0.00003059 -0.00039925 -0.00006863
0.01923069 -0.00876258 -0.00342574
12.58413209 17.76318882 12.23928350
-0.00005768 0.00004132 0.00010186
0.00688176 0.02496147 0.00176581
25.91517563 7.40329113 -11.13753306
0.00011476 0.00023496 -0.00011395
0.03585250 0.01099355 0.00813121
3.64650596 -29.88633801 -4.88150321
0.00028740 0.00013633 0.00003211
0.00952627 0.01545099 -0.00389304
3.38881328 -30.79011012 -2.06173349
-0.00014036 0.00025004 -0.00058612
0.00168370 0.00624711 -0.01349493
-9.67674263 3.29527145 -8.75276308
0.00016177 -0.00076153 -0.00031866
-0.03195424 -0.02372888 -0.01262206
-11.52445668 2.64946777 -11.17666517
-0.00038970 -0.00015984 0.00031667
0.00646928 0.00105619 0.02307933
-36.95337857 3.47705301 3.09244288
0.00074181 -0.00058966 -0.00009686
-0.00176523 0.01765002 -0.00708166
-38.98073755 1.43943353 3.64212146
-0.00024184 0.00041101 0.00069280
0.04031432 -0.00001000 0.00837434
-8.97938656 -3.87883101 1.67030953
-0.00077954 -0.00066925 0.00071682
0.00658241 -0.01085165 0.00680665
-6.30229929 -4.66096982 2.64179776
0.00012860 0.00001639 0.00003004
-0.00066018 -0.00578612 -0.00116504
3.41760741 -1.22001278 9.10182106
-0.00012198 -0.00017177 -0.00012411
0.04082839 -0.03824033 -0.02494966
1.92333401 1.12844032 8.31465165
-0.00078933 -0.00066884 0.00004920
0.00443712 -0.01313164 0.02056710
-30.86146325 -0.32219074 3.77974912
0.00008648 0.00019201 0.00027648
0.00570898 -0.04361383 0.00217513
-33.08084603 1.59798566 3.18205932
-0.00006682 -0.00037607 0.00082118
0.02187850 -0.01543953 0.00969645
15.50721882 11.77881347 -18.59300007
-0.00030001 -0.00048874 -0.00108066
0.00571219 0.03990632 0.02548506
17.93057306 12.27646162 -17.26301644
0.00053437 -0.00018260 -0.00000233
-0.00284506 0.00718345 0.00286989
-2.90736676 6.50364310 5.17186418
0.00066927 0.00032556 -0.00026898
0.00802501 0.00482603 0.00046636
-3.84871498 5.62029745 2.60147040
0.00008378 0.00043269 -0.00014970
0.01808098 -0.01209077 0.02628767
5.84243030 16.78216791 -8.06197168
0.00080188 0.00010660 -0.00093847
-0.01665982 0.01457611 0.01892158
5.86893831 18.86005898 -5.85323040
-0.00095119 -0.00039092 0.00094738
-0.02310420 -0.03761799 -0.01916022
8.82955564 6.44194957 -22.75752029
0.00119753 -0.00039033 0.00054037
-0.00364788 0.00475725 0.00411669
9.69006325 7.43145554 -19.96137231
-0.00037823 -0.00017934 -0.00056276
-0.00718769 0.00322763 -0.01433754
19.52574367 20.14816201 -3.92835126
0.00066843 0.00064635 -0.00087710
0.00429189 -0.01635075 -0.03717247
20.84577576 19.60798726 -6.65052828
0.00028607 0.00003626 0.00079651
-0.00988872 0.00014430 0.02000328
2.01989929 12.99256117 -20.81941058
-0.00044634 0.00014947 0.00010431
-0.01664606 -0.00207624 0.00837428
0.44618689 15.38078402 -21.92051993
0.00007072 -0.00049245 -0.00010007
-0.03425413 -0.00419187 -0.00218452
9.79884889 -7.15431254 -0.47735028
0.00023435 0.00075831 0.00034216
0.00029945 0.00793833 -0.00161288
9.25379127 -4.24858121 -0.38415355
0.00031619 -0.00055410 0.00028596
0.00483245 -0.00345792 -0.00043809
-16.98178705 -6.49868109 6.37883505
-0.00027960 -0.00045175 -0.00031930
-0.00650813 0.00897413 -0.00830742
-18.05840019 -5.35397929 3.74067312
-0.00026710 0.00039288 0.00032514
0.02246507 -0.01218168 0.02185858
-14.27448072 -0.92547352 18.90172000
0.00015252 -0.00004344 -0.00021619
-0.00453895 -0.00367601 0.04488219
-15.03464183 -0.27861713 21.88934318
-0.00021423 0.00029644 -0.00073749
0.00933883 -0.01479404 -0.01982890
-0.15622312 2.92482922 -3.53708504
-0.00004512 -0.00016193 0.00069725
-0.01775277 0.00013705 0.02719760
0.84875059 2.22450038 -5.93350674
0.00043720 -0.00016878 -0.00050367
0.01238465 0.00839397 -0.00300050
20.13544941 -9.10565982 -5.62253468
-0.00090289 -0.00005433 -0.00026588
-0.00276392 0.00988410 -0.03123867
22.72338949 -9.51953782 -4.24509351
0.00070118 0.00050212 0.00088165
0.03760600 0.00367911 -0.01175904
4.70001979 -11.30889702 6.52486426
0.00048744 0.00004646 0.00055067
-0.05743779 0.01553806 -0.00246547
2.52589400 -11.60153982 8.46095504
-0.00020938 0.00017314 0.00072218
0.00243595 0.01260461 -0.01956261
-2.70352904 -3.11895458 -20.48794315
-0.00032052 -0.00053750 -0.00069916
0.02072740 0.02326475 0.03182470
-2.61810872 -1.38130170 -17.90829793
-0.00025028 -0.00002462 -0.00014273
-0.01277757 -0.00465901 0.01026175
1.17856497 5.68069623 -11.34434560
0.00096829 0.00078525 -0.00103392
-0.02017672 -0.00998067 0.00789439
-0.88878756 4.20907323 -9.62757636
-0.00051582 0.00063025 -0.00089059
0.00374258 0.01783941 -0.02825552
-4.03807148 16.59591602 14.87587233
-0.00007464 0.00129031 0.00027045
-0.01509358 -0.02431509 -0.03283989
-6.64611769 15.95152776 13.82096957
-0.00007313 0.00066992 -0.00044752
0.00190392 -0.00376370 -0.00322169
-5.52434947 2.05468639 -6.42476791
0.00056245 0.00019682 -0.00020210
0.00370526 0.00502150 -0.01685432
-5.63633473 2.23489655 -9.45019913
0.00041685 -0.00082696 -0.00053306
0.01009987 0.00823213 0.01415250
-9.42554262 -1.54500623 -4.29165789
0.00087970 0.00012344 -0.00074905
0.00162404 0.01422974 0.00532399
-9.34548088 1.26290853 -3.27273454
0.00033875 -0.00112514 -0.00016533
-0.01554493 0.01066988 0.01682717
2.44080416 29.10775686 4.37242204
-0.00021157 0.00043462 -0.00086704
0.00198637 -0.01392462 0.02794890
2.59514428 28.39110542 7.39504438
-0.00076268 -0.00117018 -0.00039192
-0.00537285 0.01112471 0.00194389
7.33673360 -10.17374905 -3.07816878
-0.00112033 0.00039739 -0.00032411
-0.03547667 0.00155930 -0.02133133
8.80532003 -10.94031811 -0.86854132
0.00056270 -0.00007755 -0.00001929
0.00629611 -0.01263263 0.01247777
-5.42934026 -0.35891673 9.61681839
-0.00051487 -0.00051477 0.00021955
-0.00250200 0.03683413 -0.00593513
-8.03153902 0.77169264 10.01179938
0.00041347 -0.00029775 -0.00032355
-0.02184262 0.00216451 0.00195846
19.33026166 9.51191920 7.90337162
-0.00031504 0.00057139 -0.00015332
0.00169762 0.00113439 -0.02537130
21.52799749 10.35752182 6.01598644
-0.00067667 -0.00060694 0.00025916
-0.03966892 -0.02277918 -0.00101959
-2.90437305 0.46364469 -22.63169399
-0.00051417 0.00072999 -0.00047696
0.01323771 -0.00723173 0.06006683
-5.34562036 0.63053048 -24.32563454
-0.00026105 -0.00056689 -0.00062610
0.05333412 -0.00084078 -0.00120412
-12.73216374 9.51729210 10.67430378
-0.00040010 0.00025288 -0.00005600
-0.00015092 -0.00507990 -0.00129481
-13.42381428 9.56424304 7.97161302
-0.00028001 0.00012769 0.00013506
-0.01048789 -0.01578203 0.01068324
-13.77173761 4.27304877 -4.80434898
-0.00008488 -0.00003700 -0.00045174
0.00472727 -0.05326648 -0.02734471
-14.94032977 6.83000104 -4.96864953
-0.00014501 -0.00049304 -0.00040200
-0.00150457 -0.00806946 0.01317395
-5.29479886 -16.13459900 21.31656967
0.00010245 0.00032320 -0.00053565
-0.01466638 -0.00777934 -0.00993046
-3.01461073 -15.45409767 19.59021750
-0.00002777 0.00036208 0.00051906
-0.00177442 -0.00182480 -0.00534147
-6.52344851 6.68356035 -6.55036942
-0.00007795 0.00017738 -0.00031292
0.00453407 0.02469354 0.00452826
-7.35132973 9.38592556 -5.35569829
-0.00128295 0.00001498 0.00008880
-0.00598941 -0.00482061 -0.00510479
-20.70303842 31.07808845 -0.14103096
-0.00063914 -0.00021770 0.00058833
0.00254972 -0.01024464 0.01227815
-18.07996041 30.70923445 0.99762039
0.00027084 -0.00060276 -0.00081652
0.03904609 0.00321848 -0.00479151
9.12068174 3.00670971 6.73272620
-0.00012330 0.00055888 0.00050492
0.02412288 0.00724807 0.03431184
9.91820838 5.30584406 8.37786060
-0.00043368 0.00036123 0.00001564
-0.01586548 0.05427698 0.01054698
8.51965582 17.85143347 -12.43776761
0.00006023 0.00072085 0.00035964
-0.00135638 -0.01441669 -0.00019223
8.62665291 15.23343337 -11.22362290
-0.00030558 -0.00013525 -0.00023659
0.01473354 -0.00954437 0.00156047
12.71405469 5.59806240 0.18255896
-0.00021752 0.00004574 -0.00012810
0.03310629 -0.01032214 -0.03031923
14.30694306 3.43990275 0.71150843
0.00047653 -0.00086978 0.00075297
0.00519731 -0.01344793 -0.00015305
-4.57003563 11.72120729 -2.75427561
-0.00122780 0.00039167 0.00094286
0.01425595 -0.01444918 -0.00009114
-5.54860356 10.33655532 -0.25899417
0.00040604 -0.00064763 -0.00086432
0.00851856 0.00812377 -0.02069957
7.88876442 13.32294169 4.73834842
-0.00014005 -0.00202339 0.00024055
-0.00618063 0.02213398 -0.00196122
10.07683529 11.43484254 4.51801305
0.00003855 -0.00017353 0.00021430
-0.00449663 -0.00498159 0.00046596
18.66067047 -11.37535813 -9.16494083
0.00108611 0.00115769 0.00009662
-0.01539005 -0.00163355 0.01873603
20.59044030 -12.74864443 -10.65089572
0.00015748 -0.00031399 0.00023187
0.02642394 -0.05602653 -0.00132721
18.85189906 -5.13686919 -1.83221894
0.00019394 0.00054108 0.00092827
0.00563497 0.00663388 -0.01830172
18.12405339 -7.44309199 -0.34772725
0.00003147 0.00011136 0.00011127
0.01170709 0.00794645 0.00881556
15.16828533 9.29773887 9.32783527
-0.00056900 -0.00031056 -0.00004317
0.00732870 -0.02004836 0.00568996
16.55756546 7.60188564 11.35482235
0.00019445 0.00064066 -0.00027472
-0.00763432 0.00165716 -0.01275667
2.64843011 -15.73082491 17.38918503
-0.00011110 0.00055410 0.00131199
0.00473418 -0.00474319 -0.00782822
3.46921873 -12.91043647 17.24945939
-0.00115461 -0.00002420 0.00079344
0.00252650 -0.00091558 -0.00566775
-4.05516479 -4.33858178 -13.57671949
-0.00043911 0.00010537 -0.00034200
-0.00593059 0.01412995 -0.00240620
-1.84212886 -2.30234772 -13.34616449
-0.00030612 0.00013085 -0.00004704
-0.01404923 0.00026480 -0.00314932
16.05819443 -7.42978800 -14.93557732
-0.00024257 0.00049733 0.00009222
0.00004561 -0.00375095 -0.00280793
17.16950494 -7.71086707 -12.12227840
0.00037206 0.00029101 0.00054045
-0.00917080 0.01330990 -0.00963835
9.62241056 -4.50511901 4.87014125
-0.00062158 0.00059081 0.00072938
-0.00683597 0.00339241 0.02290106
12.16662786 -4.73372357 5.70892631
0.00040740 0.00057956 0.00035669
0.04319034 -0.00151479 -0.00651789
-21.09339111 0.06459482 24.55247450
-0.00063750 0.00010692 -0.00024420
-0.01009073 -0.02226178 -0.00208159
-20.13040030 2.49244547 25.58272515
-0.00018914 -0.00020647 -0.00125141
0.00809134 -0.00451448 0.00137518
24.60102082 -2.48728568 -7.22371016
-0.00036533 0.00005640 0.00033668
0.01074512 -0.00936331 0.00452490
24.12748946 -0.52440914 -9.36569031
-0.00006993 -0.00063999 0.00033504
-0.00212996 0.00164422 0.02512158
12.54654134 -10.24508235 -9.81431827
0.00000325 -0.00055752 0.00080696
-0.00099861 0.00570689 0.00516617
12.44222533 -8.46848269 -12.09988791
0.00033862 0.00046466 -0.00024167
-0.00145035 -0.00094433 -0.00175442
-9.37600360 -9.10302537 18.22955921
-0.00006380 0.00011867 0.00049877
0.00080378 -0.00726738 -0.00960712
-11.46972519 -9.98448499 16.60604921
-0.00036502 0.00153307 0.00057454
-0.04437444 -0.00217711 0.00216682
8.42388814 0.47154180 -30.08751727
-0.00048908 -0.00084120 -0.00036590
0.00291563 0.00512307 0.01463639
5.75226133 0.88827686 -29.00386885
-0.00005694 -0.00056827 -0.00083388
-0.02212312 0.00356133 -0.00255337
12.45558419 19.63081646 12.49954484
-0.00011395 0.00047217 0.00024308
0.00778100 -0.03166871 -0.00853746
13.90279587 17.36086353 10.96565307
-0.00045689 -0.00050905 -0.00130065
-0.01189072 0.01403649 0.00696947
27.75267671 7.70747608 -11.60735164
0.00004307 0.00011389 0.00062367
-0.02238712 -0.00513955 -0.00318271
25.99825062 7.41561410 -9.27964069
-0.00038884 -0.00086385 -0.00042477
-0.00670595 0.00230250 -0.00326187
-7.15530599 4.59058669 6.69495348
0.00028390 -0.00006967 -0.00004285
-0.00066055 -0.00721167 -0.00471645
-8.96796991 8.74701606 3.87365152
0.00022877 -0.00007979 0.00002610
-0.00165034 -0.00778465 -0.00395902
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07922892
0.26741527
356.31744236
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3166754666 (a.u.)
total exchange computation time: 3.2053229809 s
-153.8603989131
-931.34576888
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3167931604 (a.u.)
total exchange computation time: 3.2104709148 s
-153.8609191850
Anderson extrapolation: theta=1.3680373827 (1.3680373827)
-931.34604319
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3169373588 (a.u.)
total exchange computation time: 3.2062158585 s
-153.8619616673
Anderson extrapolation: theta=0.0634110144 (0.0634110144)
-931.34621613
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3169286975 (a.u.)
total exchange computation time: 3.2047748566 s
-153.8623762882
Anderson extrapolation: theta=2.3403320435 (2.0000000000)
-931.34622633
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3169081506 (a.u.)
total exchange computation time: 3.2073440552 s
-153.8632601656
Anderson extrapolation: theta=0.4469093001 (0.4469093001)
-931.34624097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3169073202 (a.u.)
total exchange computation time: 3.2051582336 s
-153.8635635776
Anderson extrapolation: theta=1.0509130309 (1.0509130309)
-931.34624596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3169238218 (a.u.)
total exchange computation time: 3.2066619396 s
-153.8636854102
Anderson extrapolation: theta=0.5462690365 (0.5462690365)
-931.34625001
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3169497049 (a.u.)
total exchange computation time: 3.2051198483 s
-153.8635628554
Anderson extrapolation: theta=0.7409530179 (0.7409530179)
-931.34625173
73.216257 68.204678 -295.116311
546.964922 1079.747004 -416.225713
620.181179 1147.951682 -711.342024
1486.077129
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3169803623 (a.u.)
total exchange computation time: 3.2065269947 s
678.06376369
-1081.97912051
89.84231551
-390.28420234
-174.67202864
77.28606506
551.60419304
0.00000000
-931.34625266
3.70218686 -31.36288094 -3.83125486
-0.00038670 0.00038878 0.00001864
-0.00038126 -0.02054341 0.01427674
-11.15798270 2.23270003 -9.32621871
-0.00003072 -0.00006142 -0.00008208
0.02037100 0.01496508 -0.01258252
-37.08247211 1.89966344 3.94784839
0.00022853 0.00022994 0.00011432
-0.02379243 -0.01782125 -0.00122005
-7.73120424 -3.61336584 3.02663627
0.00006782 -0.00011868 -0.00027760
-0.00820213 0.00880237 -0.00594408
2.26885279 -0.08098527 9.70380622
0.00021522 0.00023839 -0.00010515
-0.04211889 0.04488859 0.00147733
-31.24968080 1.37635149 3.51131030
-0.00014474 0.00000992 -0.00005637
-0.02393717 0.06016059 -0.01297716
16.42126244 13.27672703 -17.69465491
0.00014703 -0.00014462 0.00009746
-0.00161808 -0.04108788 -0.02462664
-3.24204888 4.93887783 4.25708851
-0.00019505 -0.00022436 -0.00057581
-0.02007415 0.00556218 -0.02698137
4.82472899 17.36651509 -6.55113201
0.00001320 0.00011281 -0.00014782
0.04144998 0.01632686 -0.01311555
8.28668585 7.25718608 -21.17991590
0.00005851 0.00055349 -0.00013111
0.00089461 -0.00613389 0.00129032
19.73180813 18.84058050 -5.36623574
0.00056292 -0.00009123 0.00003286
-0.00009530 0.02105824 0.01853697
2.02111087 14.68868481 -21.43237550
-0.00001882 -0.00009106 0.00010619
0.04869444 0.00449173 -0.00016210
10.49558319 -5.54655901 0.08845859
-0.00002535 -0.00005182 -0.00022623
0.00788768 0.01052880 0.00824633
-16.54449411 -5.54204508 4.86249832
0.00023354 -0.00005883 -0.00021680
-0.01878876 0.00020150 -0.01154676
-14.24040485 -1.54011740 20.75254326
0.00010987 0.00000050 0.00006771
-0.00840002 0.02652643 -0.02764587
0.88501649 3.67018556 -4.77210778
-0.00043331 0.00002569 -0.00016562
0.00002350 -0.01365497 -0.01662883
20.96042535 -9.59123768 -4.14928205
-0.00028528 0.00012177 -0.00039276
-0.03729388 -0.01727026 0.03320486
2.78281530 -10.82586939 6.75667050
-0.00013275 -0.00001687 -0.00019277
0.05738060 -0.02754180 0.02871709
-1.78444410 -1.74794075 -19.45135728
-0.00018968 -0.00016776 0.00032781
-0.00895469 -0.02413391 -0.04852359
-0.61630634 5.10209290 -11.27401945
0.00001526 0.00022793 0.00015044
0.01066541 -0.00237484 0.01505786
-4.89477032 15.47032553 13.50689520
0.00003714 -0.00005004 0.00026604
0.01739934 0.03073794 0.05917028
-4.95891448 3.07120510 -7.87838940
-0.00002716 0.00014177 -0.00046228
-0.01316302 -0.00818125 0.00535713
-8.65542388 0.11603025 -4.44902273
0.00002901 -0.00018497 0.00037064
0.02458589 -0.02276321 -0.02222824
2.94917071 27.86410504 5.71234609
0.00014982 -0.00020945 0.00001272
0.00252598 -0.00214030 -0.04055197
8.69850108 -9.62162340 -2.09957544
-0.00002123 0.00016535 0.00004615
0.01424378 -0.00350304 0.01051637
-6.34816489 1.39204538 9.87630957
0.00031094 0.00017202 0.00038251
0.02308349 -0.04614145 -0.00479677
19.73277297 9.57597489 6.04844532
0.00017253 -0.00011014 -0.00041681
0.04096269 0.02691416 0.03138272
-3.38295517 0.64092852 -24.28882877
0.00000715 -0.00016757 0.00008907
-0.06855390 0.00343592 -0.06497902
-13.62858854 8.43193731 9.48200183
-0.00005617 0.00005631 -0.00012209
0.00645849 0.02222909 -0.01448497
-13.83361145 5.76034000 -3.92491470
0.00027995 -0.00004205 0.00010788
-0.00019555 0.05121426 0.01410478
-3.80627458 -15.10179544 21.18066100
0.00004211 0.00009927 0.00017864
0.01789794 0.00986717 0.01508831
-6.28858734 8.54691633 -6.57784375
-0.00021959 0.00013801 0.00034030
0.00619111 -0.02158829 -0.00812918
-19.77352301 30.28617157 1.24418367
0.00000603 0.00029055 0.00017712
-0.03603463 0.00650977 -0.00880090
10.32638736 3.62479546 8.16042403
-0.00015466 0.00010504 -0.00012912
-0.01331324 -0.05706804 -0.04480184
7.46557299 16.50347320 -11.74078570
-0.00012886 -0.00001017 -0.00000442
-0.02005959 0.02104572 0.00315928
14.05267584 4.54266692 -0.73615892
0.00003350 -0.00019026 0.00043239
-0.03848517 0.01172611 0.03615693
-5.64774136 11.86103352 -1.31190347
-0.00029874 -0.00002796 -0.00009444
-0.02804851 0.01592285 0.02916573
8.28941389 11.57696203 4.94420933
0.00028950 -0.00050153 -0.00012439
0.00858420 -0.02713868 0.00691195
19.85754882 -11.18860367 -10.48013932
-0.00001154 0.00007797 -0.00028401
-0.00239119 0.04956182 -0.01862952
19.20347687 -5.86467618 -0.22753543
0.00020349 0.00023122 0.00009687
-0.01792375 -0.01932706 0.01506891
15.96236746 7.63118666 9.60087554
-0.00016364 -0.00019737 0.00006497
-0.00708585 0.02046101 0.00853490
3.86127478 -14.58548968 16.58726657
-0.00006359 -0.00026145 -0.00013416
-0.00696977 0.01906515 0.00500648
-3.61400230 -2.51782346 -13.87261625
-0.00043325 -0.00022344 -0.00036325
0.02454778 0.00284841 0.00692199
16.21277110 -6.57901339 -13.26636700
0.00024934 0.00048120 0.00030395
0.00245166 -0.02364603 0.00360677
10.60193169 -4.39220074 6.46049666
-0.00014320 -0.00024385 0.00027553
-0.03226911 0.00151098 -0.01466316
-19.52581461 0.81595670 25.06249892
0.00003301 0.00015526 0.00036808
-0.01021811 0.02592255 0.00325258
24.06351103 -0.76202727 -7.46095047
-0.00007308 0.00007289 0.00015913
-0.01144096 0.01269986 -0.03328969
11.48989261 -9.76303189 -11.22851312
0.00000149 0.00009640 0.00005501
0.00956047 -0.00329434 0.00479321
-9.72738324 -9.94419527 16.62643906
0.00002578 -0.00006492 0.00027953
0.04567537 0.01108245 0.00790977
7.35735440 0.21332856 -28.57817249
0.00003981 -0.00040343 -0.00007056
0.01661741 -0.00750076 -0.00406442
12.58329349 17.76390485 12.24081822
-0.00005348 0.00005437 0.00010211
0.00944682 0.02581631 -0.00079010
25.91703537 7.40685789 -11.13921094
0.00013272 0.00024047 -0.00011009
0.03397387 0.01045551 0.00688564
3.65110889 -29.88381955 -4.88114091
0.00032618 0.00020250 0.00001356
0.00945815 0.01693784 -0.00518789
3.38675954 -30.78616813 -2.07093884
-0.00013430 0.00027774 -0.00063306
0.00127898 0.00731530 -0.00948393
-9.67529521 3.28312136 -8.75792977
0.00003465 -0.00085540 -0.00036901
-0.03027523 -0.02221898 -0.01202460
-11.53010393 2.64710249 -11.17120789
-0.00036301 -0.00015461 0.00040787
0.00659703 0.00150710 0.02156453
-36.94230557 3.46874899 3.09077293
0.00073474 -0.00050978 -0.00013013
-0.00169229 0.02144925 -0.00920405
-38.98312983 1.44559833 3.65277013
-0.00007480 0.00041181 0.00072640
0.04145477 0.00040337 0.00807265
-8.99087803 -3.88920233 1.68127047
-0.00075221 -0.00071412 0.00074288
0.00679579 -0.01111061 0.00594700
-6.30039057 -4.66090123 2.64221271
0.00012623 -0.00000834 0.00002438
-0.00049923 -0.00631966 -0.00160948
3.41702880 -1.22376114 9.09919492
0.00004176 -0.00032545 -0.00022528
0.03932514 -0.03698533 -0.02457514
1.91163006 1.11800540 8.31601982
-0.00077169 -0.00071782 0.00012749
0.00419894 -0.01084526 0.01775952
-30.85999111 -0.32064707 3.78396301
0.00011022 0.00001400 0.00028542
0.00591035 -0.04352402 0.00220225
-33.08117794 1.59187154 3.19467416
0.00001850 -0.00043804 0.00085957
0.01988639 -0.01489831 0.00909779
15.50289373 11.77270520 -18.60842901
-0.00027214 -0.00032101 -0.00097168
0.00793196 0.04220123 0.02786210
17.93850147 12.27394280 -17.26296340
0.00051818 -0.00015174 0.00000790
-0.00508019 0.00792237 0.00213806
-2.89708175 6.50867433 5.16784370
0.00069972 0.00033556 -0.00027195
0.00687891 0.00006929 -0.00191596
-3.84690427 5.62641734 2.60003042
0.00015592 0.00038363 -0.00004596
0.01723224 -0.01192449 0.02449502
5.85394801 16.78421358 -8.07546893
0.00072866 0.00017022 -0.00085268
-0.01918109 0.01656645 0.02307161
5.85396248 18.85304240 -5.83960684
-0.00104113 -0.00054078 0.00086933
-0.02092356 -0.03573885 -0.01904520
8.84740680 6.43624033 -22.74928862
0.00117936 -0.00036919 0.00055826
-0.00524829 0.00559322 0.00464127
9.68416962 7.42886438 -19.97025298
-0.00040168 -0.00016432 -0.00061342
-0.00429386 0.00412290 -0.01046421
19.53590160 20.15735629 -3.94264683
0.00068424 0.00057900 -0.00102482
0.00345023 -0.01661754 -0.03513872
20.84976374 19.60853559 -6.63796770
0.00025106 0.00003893 0.00087016
-0.00724504 0.00116413 0.01604934
2.01269411 12.99473966 -20.81758935
-0.00051331 0.00013738 0.00013975
-0.01613642 -0.00384615 0.00897638
0.44619797 15.37326875 -21.92208795
-0.00007066 -0.00050787 -0.00010964
-0.03494905 -0.00335570 -0.00249710
9.80237327 -7.14269465 -0.47226729
0.00023047 0.00077735 0.00033151
-0.00219806 0.00138012 -0.00360029
9.25868216 -4.25699868 -0.37987755
0.00032973 -0.00056119 0.00028191
0.00179474 -0.00001202 -0.00154592
-16.98618041 -6.50518234 6.37379104
-0.00030438 -0.00041332 -0.00035544
-0.00562285 0.00983831 -0.00938603
-18.06171826 -5.34845936 3.74622006
-0.00017401 0.00034339 0.00041373
0.02310066 -0.01204531 0.02150474
-14.27233194 -0.92623780 18.89985249
0.00013437 -0.00005960 -0.00003148
-0.00434683 -0.00423243 0.04553639
-15.03756907 -0.27462393 21.87767323
-0.00017698 0.00023719 -0.00081587
0.00889466 -0.01420636 -0.01854156
-0.15744394 2.92240445 -3.52579280
-0.00011186 -0.00015908 0.00079988
-0.01491632 0.00125874 0.02303984
0.85568806 2.22222590 -5.94115371
0.00048612 -0.00013107 -0.00051105
0.01156544 0.01006523 -0.00061194
20.12182130 -9.10617192 -5.62748018
-0.00091055 -0.00001460 -0.00039058
-0.00098471 0.00956704 -0.02980234
22.73505962 -9.51189323 -4.23222908
0.00083595 0.00051746 0.00083249
0.02836362 0.00383037 -0.01230365
4.70557127 -11.30772405 6.53304875
0.00024930 0.00011015 0.00054015
-0.05913041 0.01564187 -0.00268365
2.52282797 -11.59855643 8.47118830
-0.00019832 0.00022782 0.00063399
0.00297606 0.01416031 -0.02360899
-2.70770165 -3.12630420 -20.49745537
-0.00023289 -0.00043786 -0.00056454
0.02216756 0.02551002 0.03407383
-2.62225453 -1.38181374 -17.91012443
-0.00030556 -0.00004282 -0.00009610
-0.01428031 -0.00425002 0.01256203
1.19247110 5.69216909 -11.35961245
0.00087412 0.00073965 -0.00099856
-0.02592141 -0.01233899 0.00941486
-0.89641015 4.21907365 -9.64180100
-0.00050024 0.00069700 -0.00099359
0.00388328 0.01483688 -0.02216419
-4.03965356 16.61452553 14.87892278
-0.00013783 0.00118676 0.00013317
-0.01583923 -0.02636950 -0.03436093
-6.64715629 15.96146124 13.81415810
-0.00006354 0.00065362 -0.00046118
0.00278760 -0.00421538 -0.00346920
-5.51579911 2.05779250 -6.42831591
0.00057738 0.00021737 -0.00027062
0.00360326 0.00504208 -0.01668368
-5.62977253 2.22274436 -9.45776135
0.00045844 -0.00079119 -0.00047305
0.01025978 0.00927821 0.01522286
-9.41229740 -1.54271853 -4.30273055
0.00088119 0.00017170 -0.00072579
-0.00089379 0.00939340 0.00606513
-9.34087603 1.24635837 -3.27469883
0.00026721 -0.00106979 -0.00008378
-0.01947504 0.01642491 0.02309070
2.43769145 29.11384944 4.36027295
-0.00020019 0.00036973 -0.00074386
0.00358743 -0.01783853 0.03234867
2.58353940 28.37389358 7.38922509
-0.00078665 -0.00112174 -0.00037687
-0.00636030 0.01258850 0.00542462
7.31884157 -10.16774044 -3.08368405
-0.00124960 0.00040863 -0.00039871
-0.02780431 0.00394252 -0.01518835
8.81395343 -10.94186847 -0.86844833
0.00058700 -0.00012715 0.00002817
0.00559846 -0.01164795 0.01075516
-5.43713993 -0.36550958 9.61992978
-0.00052279 -0.00036255 0.00019515
-0.00137440 0.03768149 -0.00600753
-8.02600627 0.76729275 10.00700610
0.00032372 -0.00028708 -0.00031537
-0.02209123 0.00305825 0.00204742
19.32558814 9.52052484 7.90029430
-0.00030804 0.00057517 -0.00026017
0.00172882 0.00071677 -0.02692848
21.51663181 10.34771973 6.01984261
-0.00082899 -0.00069574 0.00025333
-0.03489307 -0.02069030 -0.00183350
-2.91167996 0.47437287 -22.63700772
-0.00045670 0.00069954 -0.00021768
0.01489315 -0.00767152 0.06685093
-5.34790182 0.62200144 -24.33506294
-0.00004150 -0.00056981 -0.00063021
0.05413809 -0.00059010 -0.00080524
-12.73816992 9.52092970 10.67342415
-0.00040015 0.00023204 -0.00006094
0.00012567 -0.00512507 -0.00112469
-13.42833575 9.56567477 7.97396636
-0.00032242 0.00006430 0.00017622
-0.01027248 -0.01524944 0.00946059
-13.77286590 4.27086151 -4.81196299
-0.00006509 -0.00024847 -0.00055882
0.00495660 -0.05024726 -0.02507002
-14.94255103 6.82235823 -4.97427584
-0.00014866 -0.00052621 -0.00034478
-0.00027985 -0.00816904 0.01483660
-5.29371159 -16.12998932 21.30823058
0.00003943 0.00028946 -0.00057487
-0.01618078 -0.00874018 -0.00926896
-3.01508170 -15.44872242 19.59783965
-0.00003173 0.00035402 0.00049140
-0.00016194 -0.00212215 -0.00819758
-6.52447886 6.68697771 -6.55492439
-0.00006010 0.00027676 -0.00029408
0.00420537 0.02395383 0.00469227
-7.37075757 9.38600254 -5.35452265
-0.00130387 -0.00000748 0.00006390
-0.00425127 -0.00617601 -0.00708823
-20.71254745 31.07450905 -0.13182975
-0.00062962 -0.00025783 0.00063605
0.00211272 -0.00939821 0.01108272
-18.07470128 30.70029162 0.98522582
0.00042524 -0.00059084 -0.00083623
0.03653050 0.00261838 -0.00486010
9.11957140 3.01531508 6.74135144
-0.00002792 0.00058601 0.00064032
0.02256882 0.00603106 0.03196599
9.91121702 5.31292577 8.37841838
-0.00049597 0.00057466 0.00005820
-0.01462537 0.05019642 0.01028799
8.52051767 17.86180440 -12.43237889
0.00005115 0.00065626 0.00036145
-0.00308679 -0.01719937 0.00107612
8.62252069 15.23111220 -11.22712387
-0.00024403 -0.00017482 -0.00023014
0.01539374 -0.00982599 0.00159600
12.71180639 5.59843227 0.17970841
-0.00008109 0.00000181 -0.00025019
0.03367624 -0.01118466 -0.02944361
14.31425021 3.42644402 0.72279824
0.00049435 -0.00091660 0.00074476
0.00352770 -0.00947282 -0.00386620
-4.58801584 11.72663959 -2.74013548
-0.00115527 0.00033190 0.00092145
0.02125125 -0.01480731 -0.01039028
-5.54225198 10.32708985 -0.27259323
0.00043985 -0.00061303 -0.00094817
0.00803305 0.00881201 -0.02034633
7.88647420 13.29326912 4.74189655
-0.00017065 -0.00190919 0.00022957
-0.00879556 0.03376815 -0.00341350
10.07727580 11.43208695 4.52124177
0.00002497 -0.00019428 0.00021501
-0.00215301 -0.00517638 -0.00011617
18.67649058 -11.35804285 -9.16291741
0.00101719 0.00115014 0.00018021
-0.01834745 -0.00206145 0.02218148
20.59361223 -12.75507108 -10.64745839
0.00026058 -0.00053359 0.00022825
0.02404394 -0.05146894 -0.00044100
18.85498084 -5.12854970 -1.81885578
0.00021476 0.00057212 0.00084426
0.00455610 0.00855866 -0.02281732
18.12488412 -7.44117808 -0.34578807
0.00008038 0.00014578 0.00014711
0.01223509 0.00890187 0.00872951
15.15997497 9.29246617 9.32736208
-0.00053880 -0.00039293 -0.00002038
0.00745399 -0.02027554 0.00546798
16.56024832 7.61154630 11.35031070
0.00016454 0.00064654 -0.00032331
-0.00700912 0.00122379 -0.01103070
2.64690862 -15.72265879 17.40862501
-0.00008964 0.00053298 0.00127712
0.00577369 -0.00559189 -0.00924363
3.45197705 -12.91082752 17.26118737
-0.00113947 -0.00003648 0.00076437
0.00488267 -0.00509385 -0.00856233
-4.06193324 -4.33656826 -13.58192316
-0.00046349 0.00015914 -0.00035094
-0.00600074 0.01219000 -0.00197043
-1.84715123 -2.30037686 -13.34696655
-0.00036678 0.00013107 -0.00006097
-0.01564353 -0.00015743 -0.00367046
16.05455724 -7.42244298 -14.93428011
-0.00024147 0.00048240 0.00008317
0.00049432 -0.00356003 -0.00161867
17.17480475 -7.70609400 -12.11446698
0.00033263 0.00034742 0.00049873
-0.01012914 0.01430133 -0.01078311
9.61287742 -4.49615286 4.88178367
-0.00064905 0.00060342 0.00082045
-0.00661405 0.00277974 0.02167844
12.17406229 -4.72507652 5.71407698
0.00057596 0.00057497 0.00033146
0.03932349 -0.00073428 -0.00583514
-21.10326282 0.06551649 24.54874766
-0.00066773 0.00001995 -0.00024888
-0.00470743 -0.02031310 -0.00020958
-20.13298952 2.48921014 25.56399618
-0.00015827 -0.00021554 -0.00124208
0.00702015 0.00007208 0.00319067
24.59587011 -2.48672667 -7.21852136
-0.00032117 0.00001765 0.00035571
0.01087017 -0.00960377 0.00479237
24.12637526 -0.53395854 -9.35989486
-0.00007887 -0.00063174 0.00043454
-0.00224555 0.00239398 0.02358395
12.54655955 -10.25327031 -9.80205552
-0.00000649 -0.00053011 0.00081856
-0.00377165 0.00771269 0.00051271
12.44726026 -8.46154174 -12.10356671
0.00032892 0.00045392 -0.00024342
-0.00330237 -0.00431274 0.00089540
-9.37693591 -9.10146803 18.23674635
-0.00005964 0.00008743 0.00045676
0.00122801 -0.00802181 -0.01095450
-11.47656026 -9.96155571 16.61473374
-0.00053785 0.00152460 0.00058272
-0.04022738 -0.00196548 0.00183495
8.41664124 0.45908072 -30.09255719
-0.00047522 -0.00082054 -0.00030673
0.00386836 0.00499342 0.01432545
5.75072933 0.87986189 -29.01645531
-0.00014401 -0.00055555 -0.00084227
-0.02049902 0.00266909 -0.00155524
12.45411335 19.63692857 12.50292945
-0.00008143 0.00033840 0.00020679
0.00813911 -0.03381141 -0.00922974
13.89557817 17.35365782 10.94635684
-0.00051092 -0.00044898 -0.00126546
-0.01455650 0.01537029 0.01025695
27.75263673 7.70902695 -11.59809408
-0.00004540 0.00009332 0.00060849
-0.02092052 -0.00492888 -0.00425027
25.99221257 7.40272689 -9.28611224
-0.00041621 -0.00085393 -0.00043336
-0.00669347 0.00255571 -0.00094070
-7.15104927 4.58952228 6.69429806
0.00028365 -0.00007223 -0.00004454
-0.00071945 -0.00708585 -0.00474741
-8.96454119 8.74580564 3.87403615
0.00022844 -0.00008156 0.00002517
-0.00123369 -0.00742712 -0.00405567
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07909568
0.26715698
355.97327813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3179901571 (a.u.)
total exchange computation time: 3.0206007957 s
-153.8600881318
-931.34789546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3180507077 (a.u.)
total exchange computation time: 3.0192191601 s
-153.8608148310
Anderson extrapolation: theta=1.3493410745 (1.3493410745)
-931.34816111
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3180760766 (a.u.)
total exchange computation time: 3.0191669464 s
-153.8623329138
Anderson extrapolation: theta=0.0532049296 (0.0532049296)
-931.34832129
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3180288449 (a.u.)
total exchange computation time: 3.0197310448 s
-153.8629195897
Anderson extrapolation: theta=1.9981775246 (1.9981775246)
-931.34832783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3179185833 (a.u.)
total exchange computation time: 3.0206089020 s
-153.8642097683
Anderson extrapolation: theta=0.2391607069 (0.2391607069)
-931.34833530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3178896822 (a.u.)
total exchange computation time: 3.0193300247 s
-153.8645162179
Anderson extrapolation: theta=1.8908192309 (1.8908192309)
-931.34833690
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3178519047 (a.u.)
total exchange computation time: 3.0186579227 s
-153.8649227822
Anderson extrapolation: theta=0.2949511832 (0.2949511832)
-931.34833897
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3178574018 (a.u.)
total exchange computation time: 3.0198330879 s
-153.8648799664
Anderson extrapolation: theta=1.3194957873 (1.3194957873)
-931.34833949
73.246223 68.143928 -295.129844
546.903098 1079.761143 -416.231730
620.149321 1147.905071 -711.361574
1486.037187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3178761129 (a.u.)
total exchange computation time: 3.0183129311 s
678.07456306
-1082.00243530
89.84222479
-390.27040261
-174.67441376
77.29836589
551.60419304
0.00000000
-931.34833993
3.69638492 -31.35712847 -3.83092018
-0.00038673 0.00037772 0.00002514
0.00024666 -0.02248057 0.01100649
-11.15836492 2.23183645 -9.32749847
-0.00002083 -0.00005439 -0.00008825
0.01807752 0.01239232 -0.01141042
-37.07913592 1.90304385 3.94955851
0.00021611 0.00021988 0.00011425
-0.02450807 -0.02130842 0.00092490
-7.73021854 -3.61511210 3.02244932
0.00006354 -0.00011397 -0.00028029
-0.00845420 0.00950432 -0.00451496
2.27191861 -0.07723631 9.70223470
0.00019459 0.00025990 -0.00010385
-0.03810791 0.03877156 0.00355766
-31.25194417 1.37673239 3.51041465
-0.00015624 0.00004008 -0.00006279
-0.02081705 0.05711536 -0.01196175
16.42346167 13.27439920 -17.69328805
0.00014620 -0.00016620 0.00008456
-0.00162313 -0.04280138 -0.02550994
-3.24505208 4.93553391 4.24834729
-0.00020479 -0.00022042 -0.00058838
-0.01779556 0.00974157 -0.02188909
4.82508682 17.36827023 -6.55339992
0.00003432 0.00012002 -0.00015557
0.04067774 0.01170764 -0.01701702
8.28756699 7.26546473 -21.18187761
0.00005848 0.00054993 -0.00013165
-0.00102986 -0.00768426 -0.00337991
19.74025160 18.83929323 -5.36567134
0.00056227 -0.00008082 0.00004286
-0.00243682 0.01943320 0.02033117
2.02101639 14.68733619 -21.43078327
0.00000593 -0.00008842 0.00010596
0.04755929 0.00577702 -0.00074704
10.49523329 -5.54729575 0.08509695
-0.00001979 -0.00004560 -0.00022112
0.01374904 0.01367800 0.01161388
-16.54106350 -5.54292668 4.85920179
0.00022365 -0.00005895 -0.00022230
-0.01967357 -0.00067148 -0.00984790
-14.23878921 -1.54000752 20.75345229
0.00010568 0.00001394 0.00005312
-0.00788263 0.02573040 -0.02909251
0.87851698 3.67051821 -4.77465624
-0.00043390 0.00001797 -0.00017346
-0.00233612 -0.01636645 -0.01386845
20.95600235 -9.58947782 -4.15504533
-0.00030244 0.00011304 -0.00037615
-0.02946837 -0.01664193 0.03139228
2.78104539 -10.82622875 6.75388973
-0.00010321 -0.00003130 -0.00017709
0.05749614 -0.02855955 0.03226662
-1.78732385 -1.75055021 -19.44662730
-0.00019416 -0.00018061 0.00030202
-0.00846142 -0.02585885 -0.05177042
-0.61603624 5.10550271 -11.27170470
0.00002209 0.00022822 0.00015600
0.01587910 0.00348986 0.00654739
-4.89414609 15.46969347 13.51111402
0.00004599 -0.00003375 0.00029670
0.01700174 0.03260112 0.06007982
-4.95937262 3.07330004 -7.88530291
-0.00003387 0.00013747 -0.00045979
-0.01293654 -0.00851722 0.00433427
-8.65489385 0.11316793 -4.44354883
0.00004322 -0.00019661 0.00035760
0.03065262 -0.02252731 -0.02847706
2.95142779 27.86095504 5.71238051
0.00015103 -0.00020997 -0.00000984
0.00217380 0.00010610 -0.04720236
8.69823753 -9.61915669 -2.09884255
-0.00001586 0.00016261 0.00005038
0.00662862 -0.00714585 0.00591292
-6.34341168 1.39444774 9.88202875
0.00032238 0.00014788 0.00037993
0.02136747 -0.04772641 -0.00525255
19.73551897 9.57442665 6.04231424
0.00019207 -0.00009693 -0.00040022
0.03501955 0.02446254 0.03313864
-3.38311242 0.63842818 -24.28774341
-0.00002819 -0.00016585 0.00005464
-0.06885829 0.00325363 -0.06887875
-13.62940621 8.43286771 9.48011467
-0.00005296 0.00006749 -0.00012915
0.00603317 0.02125023 -0.01300141
-13.82941300 5.75990681 -3.92324212
0.00027961 -0.00001714 0.00011389
-0.00110236 0.04564172 0.00925934
-3.80557387 -15.10026826 21.18339884
0.00005112 0.00010455 0.00018693
0.01711640 0.01065951 0.01713565
-6.29185727 8.54890314 -6.57277060
-0.00021677 0.00012761 0.00033657
0.00477227 -0.01884698 -0.00638888
-19.77357156 30.29055499 1.24680651
-0.00001125 0.00029386 0.00017300
-0.03114900 0.00635271 -0.00722993
10.32401608 3.62615100 8.15831447
-0.00016135 0.00007774 -0.00015117
-0.01270933 -0.04909882 -0.04095010
7.46356264 16.50340177 -11.74083988
-0.00013884 0.00000118 -0.00000296
-0.01873021 0.02308888 0.00254401
14.05302985 4.53985824 -0.72953357
0.00001426 -0.00018513 0.00045148
-0.03631811 0.00821734 0.03806391
-5.65233071 11.86067556 -1.31320763
-0.00031475 -0.00001981 -0.00007703
-0.03419052 0.01575198 0.03857115
8.29378944 11.56933438 4.94237012
0.00029395 -0.00051822 -0.00012033
0.00872776 -0.03775529 0.00887429
19.85736650 -11.18724289 -10.48447136
-0.00001137 0.00010173 -0.00029462
0.00305585 0.04283655 -0.02260842
19.20646001 -5.86128238 -0.22602432
0.00019441 0.00022071 0.00010558
-0.01736231 -0.02154825 0.01881313
15.95988553 7.62830504 9.60188301
-0.00016743 -0.00018681 0.00006891
-0.00764310 0.02058181 0.00679967
3.86029404 -14.58933790 16.58527341
-0.00006796 -0.00025055 -0.00013058
-0.01003422 0.02333384 0.00892176
-3.62040637 -2.52116405 -13.87803833
-0.00042027 -0.00022119 -0.00035968
0.02591823 0.00588080 0.00695818
16.21652070 -6.57188660 -13.26179381
0.00025050 0.00046866 0.00030559
0.00204800 -0.02510534 0.00275024
10.59965925 -4.39585268 6.46457301
-0.00015841 -0.00024318 0.00026810
-0.02688312 0.00108663 -0.01422693
-19.52535880 0.81838552 25.06803266
0.00002663 0.00016671 0.00036882
-0.01459600 0.01861424 -0.00037960
24.06237075 -0.76088489 -7.45869196
-0.00007888 0.00007917 0.00014249
-0.01114252 0.01169877 -0.03140787
11.48995188 -9.76159863 -11.22766941
0.00000748 0.00009499 0.00005797
0.01372128 -0.00218761 0.00671254
-9.72682034 -9.94512637 16.63066253
0.00004753 -0.00005914 0.00028391
0.03891710 0.01142052 0.00910950
7.35801561 0.20724819 -28.57924656
0.00004746 -0.00040690 -0.00007281
0.01315595 -0.00598601 -0.00466850
12.58252777 17.76482005 12.24234685
-0.00004805 0.00006765 0.00010109
0.01167074 0.02581666 -0.00318705
25.91915720 7.41050530 -11.14083569
0.00014955 0.00024569 -0.00010686
0.03147663 0.00982913 0.00567388
3.65629147 -29.88026303 -4.88109655
0.00036477 0.00027365 -0.00000960
0.00943016 0.01788921 -0.00614588
3.38478418 -30.78177782 -2.08072542
-0.00013002 0.00030996 -0.00066276
0.00081624 0.00845289 -0.00505465
-9.67570324 3.26960956 -8.76383341
-0.00008392 -0.00094195 -0.00041622
-0.02776433 -0.02015136 -0.01108674
-11.53534686 2.64482958 -11.16442901
-0.00033610 -0.00014739 0.00049195
0.00657600 0.00202705 0.01959368
-36.93133627 3.46175951 3.08853889
0.00072791 -0.00041593 -0.00017133
-0.00165132 0.02449345 -0.01095996
-38.98298151 1.45178785 3.66391355
0.00009562 0.00041412 0.00075856
0.04196402 0.00072527 0.00766635
-9.00195301 -3.90025458 1.69259587
-0.00072432 -0.00076004 0.00076523
0.00685865 -0.01136656 0.00499212
-6.29851244 -4.66121995 2.64252902
0.00012436 -0.00003505 0.00001700
-0.00041566 -0.00675826 -0.00199890
3.41886027 -1.22977620 9.09506267
0.00019541 -0.00046997 -0.00032284
0.03588645 -0.03375798 -0.02318141
1.90018345 1.10690581 8.31847641
-0.00075541 -0.00075658 0.00019308
0.00376964 -0.00813124 0.01434400
-30.85815674 -0.32177082 3.78831186
0.00013401 -0.00015969 0.00029381
0.00573491 -0.04149738 0.00190344
-33.08029108 1.58484436 3.20784656
0.00009419 -0.00049748 0.00089530
0.01716748 -0.01419666 0.00838992
15.49905477 11.76918328 -18.62215040
-0.00023624 -0.00014571 -0.00085400
0.00963882 0.04360894 0.02973986
17.94611854 12.27190952 -17.26277933
0.00049330 -0.00011819 0.00001520
-0.00709967 0.00849840 0.00143206
-2.88637517 6.51370981 5.16370580
0.00072538 0.00032639 -0.00028445
0.00568154 -0.00455824 -0.00420590
-3.84403746 5.63180642 2.60009165
0.00022390 0.00033590 0.00004888
0.01604601 -0.01144007 0.02192850
5.86429018 16.78727455 -8.08755221
0.00064621 0.00024116 -0.00075164
-0.02118114 0.01815841 0.02638947
5.83770432 18.84383551 -5.82715050
-0.00112107 -0.00068126 0.00079278
-0.01820840 -0.03302733 -0.01842441
8.86493632 6.43087387 -22.74077249
0.00115465 -0.00034469 0.00057804
-0.00684750 0.00639942 0.00504269
9.67801283 7.42652590 -19.97977497
-0.00041253 -0.00014560 -0.00064751
-0.00101519 0.00504211 -0.00622298
19.54627099 20.16553214 -3.95909592
0.00069641 0.00051149 -0.00116304
0.00250416 -0.01643104 -0.03252083
20.85330770 19.60915526 -6.62442351
0.00022761 0.00004614 0.00092678
-0.00423845 0.00236159 0.01166609
2.00449999 12.99668244 -20.81521799
-0.00057806 0.00011843 0.00017750
-0.01555743 -0.00542685 0.00950035
0.44406715 15.36554782 -21.92380900
-0.00021260 -0.00052070 -0.00011983
-0.03453216 -0.00292461 -0.00249425
9.80576295 -7.13099217 -0.46740494
0.00021615 0.00076894 0.00031261
-0.00481301 -0.00549728 -0.00565295
9.26368303 -4.26541689 -0.37569629
0.00033060 -0.00055389 0.00027330
-0.00136626 0.00358731 -0.00266744
-16.99091837 -6.51108064 6.36817180
-0.00032555 -0.00037170 -0.00039541
-0.00474140 0.01053223 -0.01018070
-18.06362059 -5.34367764 3.75308494
-0.00007967 0.00029473 0.00049974
0.02307979 -0.01177316 0.02059866
-14.27044956 -0.92726146 18.90077573
0.00011705 -0.00007762 0.00015411
-0.00412990 -0.00458831 0.04530755
-15.03995118 -0.27150139 21.86486693
-0.00014213 0.00018122 -0.00088812
0.00816488 -0.01319193 -0.01682358
-0.15957893 2.92005682 -3.51308854
-0.00016617 -0.00015108 0.00088418
-0.01166687 0.00265600 0.01822262
0.86333433 2.22056828 -5.94883818
0.00053152 -0.00008703 -0.00050886
0.01065624 0.01149137 0.00168518
20.10813285 -9.10609769 -5.63425215
-0.00091002 0.00002325 -0.00050746
0.00124582 0.00895829 -0.02741152
22.74846806 -9.50401389 -4.22011870
0.00093158 0.00053313 0.00078098
0.01844647 0.00383682 -0.01291230
4.70749887 -11.30559244 6.54106878
0.00000648 0.00017374 0.00052847
-0.05973535 0.01548383 -0.00303268
2.51994434 -11.59470521 8.47997466
-0.00018536 0.00028812 0.00053084
0.00336733 0.01535448 -0.02688430
-2.71051570 -3.13209040 -20.50487933
-0.00014039 -0.00033053 -0.00042196
0.02310920 0.02702824 0.03572143
-2.62727552 -1.38258624 -17.91118105
-0.00036617 -0.00005956 -0.00004136
-0.01538829 -0.00394771 0.01423792
1.20478861 5.70288573 -11.37430229
0.00075839 0.00068505 -0.00095705
-0.03073095 -0.01438750 0.01090410
-0.90379476 4.22998336 -9.65738400
-0.00048469 0.00075027 -0.00106961
0.00373044 0.01123843 -0.01504804
-4.04220637 16.63151895 14.87986737
-0.00020325 0.00107578 -0.00000904
-0.01618359 -0.02795813 -0.03524905
-6.64802404 15.97113638 13.80713403
-0.00005051 0.00063548 -0.00047579
0.00359323 -0.00466495 -0.00368101
-5.50702793 2.06120762 -6.43288638
0.00059161 0.00023749 -0.00033755
0.00336151 0.00480434 -0.01608339
-5.62258155 2.21116080 -9.46439063
0.00050039 -0.00075143 -0.00040925
0.01027704 0.01018725 0.01600917
-9.39910695 -1.53985514 -4.31343149
0.00087214 0.00019930 -0.00069966
-0.00353348 0.00411588 0.00672501
-9.33746473 1.23081484 -3.27524797
0.00018052 -0.00099233 0.00002199
-0.02295978 0.02149112 0.02868470
2.43479860 29.11884876 4.35010638
-0.00018283 0.00029040 -0.00060456
0.00490705 -0.02099396 0.03583773
2.57154472 28.35745324 7.38373825
-0.00081450 -0.00106790 -0.00034862
-0.00727153 0.01376675 0.00840670
7.29924551 -10.16149020 -3.09013015
-0.00134656 0.00042966 -0.00044757
-0.01965741 0.00635052 -0.00872726
8.82292994 -10.94413269 -0.86769621
0.00060822 -0.00017204 0.00006787
0.00479120 -0.01032652 0.00867850
-5.44502383 -0.36979309 9.62267299
-0.00052588 -0.00020784 0.00017047
-0.00014230 0.03804608 -0.00607580
-8.02182740 0.76308029 10.00233830
0.00023451 -0.00027233 -0.00030692
-0.02157903 0.00416146 0.00208678
19.32102057 9.52917441 7.89556664
-0.00030121 0.00057718 -0.00037195
0.00161378 0.00026650 -0.02778868
21.50312767 10.33664961 6.02358642
-0.00095941 -0.00077495 0.00024421
-0.02894532 -0.01808562 -0.00263336
-2.91807412 0.48463090 -22.63822442
-0.00039443 0.00066810 0.00006257
0.01558785 -0.00771722 0.07033247
-5.34686536 0.61343622 -24.34454069
0.00017898 -0.00057168 -0.00063269
0.05378678 -0.00032578 -0.00041203
-12.74416839 9.52425319 10.67247559
-0.00039895 0.00021116 -0.00006505
0.00046248 -0.00509476 -0.00088929
-13.43348678 9.56617192 7.97689950
-0.00036381 0.00000376 0.00021154
-0.00998820 -0.01438300 0.00783006
-13.77369042 4.26559479 -4.82111344
-0.00004462 -0.00044303 -0.00065394
0.00506427 -0.04499169 -0.02149336
-14.94478943 6.81421477 -4.97899287
-0.00014819 -0.00055917 -0.00028172
0.00050647 -0.00796440 0.01603183
-5.29361598 -16.12591528 21.29932344
-0.00002870 0.00025256 -0.00061142
-0.01717051 -0.00932008 -0.00862241
-3.01556259 -15.44347722 19.60495941
-0.00002924 0.00034488 0.00045249
0.00138061 -0.00235014 -0.01084969
-6.52525148 6.69186311 -6.55919180
-0.00004374 0.00037171 -0.00027463
0.00380064 0.02252463 0.00482805
-7.39044596 9.38570103 -5.35378142
-0.00131767 -0.00003529 0.00003104
-0.00250040 -0.00743286 -0.00899325
-20.72192701 31.07035366 -0.12194932
-0.00062233 -0.00029407 0.00067810
0.00145647 -0.00834377 0.00949687
-18.06720334 30.69150927 0.97253339
0.00056603 -0.00058204 -0.00085566
0.03239030 0.00168958 -0.00465018
9.11984421 3.02429008 6.75193575
0.00005993 0.00060766 0.00076473
0.02043407 0.00456499 0.02893204
9.90332933 5.32308382 8.37960667
-0.00055210 0.00076702 0.00009911
-0.01285318 0.04396425 0.00973489
8.52119035 17.87112124 -12.42692422
0.00003553 0.00058110 0.00036798
-0.00455893 -0.01959176 0.00212023
8.61933189 15.22818884 -11.23052703
-0.00018082 -0.00021455 -0.00022393
0.01554860 -0.00962476 0.00144125
12.71162198 5.59811668 0.17505337
0.00005617 -0.00004456 -0.00036768
0.03351566 -0.01151440 -0.02806873
14.32177356 3.41240474 0.73385111
0.00050527 -0.00094733 0.00072171
0.00181691 -0.00556780 -0.00741264
-4.60469364 11.73116441 -2.72663213
-0.00105434 0.00027106 0.00085811
0.02815168 -0.01497579 -0.02061566
-5.53540808 10.31816443 -0.28743924
0.00047159 -0.00057638 -0.00102986
0.00750323 0.00912741 -0.01964035
7.88364494 13.26566607 4.74523549
-0.00021183 -0.00174891 0.00021286
-0.01136399 0.04468854 -0.00476613
10.07758436 11.42901412 4.52446337
0.00002119 -0.00021570 0.00021330
0.00030536 -0.00530636 -0.00072122
18.69118624 -11.34085391 -9.15953458
0.00093798 0.00114107 0.00027615
-0.02042528 -0.00237842 0.02478272
20.59825772 -12.76465207 -10.64404808
0.00035173 -0.00073011 0.00022870
0.02057616 -0.04473020 0.00065756
18.85834185 -5.11970568 -1.80689100
0.00023143 0.00061032 0.00074335
0.00360356 0.01014195 -0.02658226
18.12646470 -7.43871860 -0.34331390
0.00013100 0.00018352 0.00018240
0.01254426 0.00957189 0.00854273
15.15212143 9.28595086 9.32722399
-0.00050868 -0.00047502 0.00000127
0.00728687 -0.01990577 0.00512614
16.56250163 7.62128196 11.34512302
0.00013749 0.00065068 -0.00036416
-0.00623055 0.00080047 -0.00896634
2.64574098 -15.71483538 17.42749849
-0.00006396 0.00050845 0.00123648
0.00679365 -0.00641653 -0.01064785
3.43503461 -12.91153074 17.27239061
-0.00111491 -0.00006493 0.00072377
0.00714170 -0.00883448 -0.01131280
-4.06906945 -4.33380767 -13.58724760
-0.00048815 0.00020455 -0.00035801
-0.00607359 0.01003867 -0.00149161
-1.85313234 -2.29841564 -13.34799356
-0.00043288 0.00012962 -0.00007673
-0.01671001 -0.00055074 -0.00404409
16.05095035 -7.41531614 -14.93308210
-0.00023850 0.00046831 0.00007920
0.00095725 -0.00333373 -0.00032657
17.17948379 -7.70044446 -12.10731642
0.00028992 0.00040710 0.00045306
-0.01077558 0.01491160 -0.01157311
9.60293893 -4.48701634 4.89475468
-0.00067593 0.00061350 0.00090562
-0.00653982 0.00215383 0.02001212
12.18390670 -4.71647447 5.71887005
0.00072580 0.00057401 0.00031005
0.03402112 0.00026583 -0.00464466
-21.11342303 0.06519325 24.54500796
-0.00067572 -0.00005874 -0.00024566
0.00079623 -0.01820261 0.00178702
-20.13514851 2.48597922 25.54546276
-0.00013205 -0.00020557 -0.00122552
0.00581540 0.00480909 0.00491681
24.59138560 -2.48675624 -7.21303885
-0.00027684 -0.00002111 0.00037564
0.01083353 -0.00936656 0.00496526
24.12512345 -0.54336122 -9.35265405
-0.00008822 -0.00062039 0.00052652
-0.00233388 0.00315964 0.02143820
12.54634661 -10.26098559 -9.78976136
-0.00002710 -0.00049466 0.00081173
-0.00631650 0.00963837 -0.00386025
12.45209280 -8.45486510 -12.10719063
0.00031192 0.00042984 -0.00023469
-0.00501862 -0.00747489 0.00338094
-9.37779295 -9.10040232 18.24326213
-0.00005364 0.00005354 0.00041014
0.00171205 -0.00856911 -0.01186839
-11.48586072 -9.93874688 16.62353074
-0.00068969 0.00151676 0.00058962
-0.03409765 -0.00187210 0.00154543
8.40963143 0.44692568 -30.09671917
-0.00045732 -0.00080034 -0.00024933
0.00489533 0.00489508 0.01377083
5.74794103 0.87161049 -29.02913708
-0.00022299 -0.00054701 -0.00084625
-0.01816252 0.00150988 -0.00038989
12.45314133 19.64096852 12.50574841
-0.00004770 0.00019783 0.00016803
0.00836918 -0.03499978 -0.00973918
13.88746835 17.34739411 10.92768922
-0.00057490 -0.00038382 -0.00121751
-0.01676586 0.01652495 0.01321642
27.75131461 7.71027576 -11.58909701
-0.00012690 0.00007377 0.00058889
-0.01897437 -0.00464359 -0.00534107
25.98576429 7.38999631 -9.29264145
-0.00044344 -0.00084304 -0.00043246
-0.00663558 0.00277325 0.00138144
-7.14679642 4.58841983 6.69361715
0.00028342 -0.00007474 -0.00004627
-0.00059654 -0.00693834 -0.00491849
-8.96111677 8.74456937 3.87440666
0.00022815 -0.00008326 0.00002423
-0.00122307 -0.00727857 -0.00408961
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07921480
0.26912513
358.59574631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.3199443864 (a.u.)
total exchange computation time: 3.0235230923 s
-153.8676508656
-931.35179070
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3200465457 (a.u.)
total exchange computation time: 3.0193059444 s
-153.8681259871
Anderson extrapolation: theta=1.3508020450 (1.3508020450)
-931.35205045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3201444849 (a.u.)
total exchange computation time: 3.0177311897 s
-153.8692408810
Anderson extrapolation: theta=0.0512575151 (0.0512575151)
-931.35220646
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3201135995 (a.u.)
total exchange computation time: 3.0184509754 s
-153.8697515296
Anderson extrapolation: theta=1.9051648944 (1.9051648944)
-931.35221224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3200428551 (a.u.)
total exchange computation time: 3.0199568272 s
-153.8708319205
Anderson extrapolation: theta=0.2205289719 (0.2205289719)
-931.35221816
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3200259267 (a.u.)
total exchange computation time: 3.0221328735 s
-153.8710713444
Anderson extrapolation: theta=1.8820803411 (1.8820803411)
-931.35221927
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3200079745 (a.u.)
total exchange computation time: 3.0179710388 s
-153.8713706297
Anderson extrapolation: theta=0.2866148677 (0.2866148677)
-931.35222061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3200162113 (a.u.)
total exchange computation time: 3.0198149681 s
-153.8713139009
Anderson extrapolation: theta=1.3047847793 (1.3047847793)
-931.35222091
73.280021 68.083628 -295.131231
546.841362 1079.773888 -416.236180
620.121382 1147.857516 -711.367411
1485.991588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3200356932 (a.u.)
total exchange computation time: 3.0195279121 s
678.10191824
-1082.06236570
89.84040525
-390.23211140
-174.68003180
77.33076873
551.60419304
0.00000000
-931.35222110
3.69058488 -31.35154944 -3.83050060
-0.00038645 0.00036579 0.00002980
0.00083582 -0.02389972 0.00709232
-11.15860768 2.23106846 -9.32886626
-0.00001229 -0.00004881 -0.00009380
0.01515980 0.00927734 -0.01015221
-37.07598881 1.90625987 3.95127576
0.00020348 0.00020828 0.00011517
-0.02460135 -0.02381059 0.00265317
-7.72929806 -3.61678504 3.01822755
0.00005918 -0.00010893 -0.00028225
-0.00849974 0.01012121 -0.00309282
2.27469044 -0.07318823 9.70069064
0.00017646 0.00027777 -0.00010157
-0.03240255 0.03072870 0.00530413
-31.25436814 1.37755393 3.50942671
-0.00016589 0.00006822 -0.00006859
-0.01669261 0.05232615 -0.01059009
16.42564837 13.27174117 -17.69211798
0.00014540 -0.00018844 0.00007131
-0.00146275 -0.04370759 -0.02604034
-3.24819256 4.93226513 4.23943719
-0.00021329 -0.00021449 -0.00059820
-0.01525217 0.01333513 -0.01631442
4.82575846 17.37011569 -6.55579912
0.00005480 0.00012475 -0.00016526
0.03898789 0.00667072 -0.02065828
8.28844018 7.27368410 -21.18386538
0.00005738 0.00054560 -0.00013460
-0.00323390 -0.00916871 -0.00810408
19.74867627 18.83815588 -5.36495008
0.00056039 -0.00007139 0.00005373
-0.00488894 0.01724372 0.02195993
2.02128881 14.68603213 -21.42919680
0.00002983 -0.00008509 0.00010536
0.04538540 0.00719774 -0.00157407
10.49498946 -5.54792698 0.08182490
-0.00001119 -0.00003775 -0.00021429
0.01967931 0.01686159 0.01496298
-16.53778467 -5.54381346 4.85582929
0.00021347 -0.00005951 -0.00022688
-0.01992067 -0.00151029 -0.00794471
-14.23723438 -1.53969914 20.75413688
0.00010182 0.00002683 0.00003790
-0.00715081 0.02437357 -0.03009625
0.87199946 3.67072460 -4.77731168
-0.00043575 0.00000888 -0.00017975
-0.00486667 -0.01897073 -0.01058582
20.95135202 -9.58784635 -4.16056642
-0.00031568 0.00010473 -0.00036063
-0.02201363 -0.01570219 0.02893960
2.77971905 -10.82680843 6.75135788
-0.00007381 -0.00004611 -0.00015973
0.05682824 -0.02902912 0.03522503
-1.79026888 -1.75335916 -19.44229670
-0.00019840 -0.00019415 0.00027487
-0.00801599 -0.02678028 -0.05382034
-0.61564365 5.10893944 -11.26933944
0.00003144 0.00023158 0.00015697
0.02047956 0.00958388 -0.00276589
-4.89339069 15.46931291 13.51579633
0.00005456 -0.00001662 0.00032770
0.01634150 0.03404174 0.06045979
-4.95993057 3.07532927 -7.89218297
-0.00004040 0.00013310 -0.00045784
-0.01246454 -0.00847290 0.00322667
-8.65412734 0.11013181 -4.43829462
0.00006040 -0.00020781 0.00034162
0.03615232 -0.02101768 -0.03366163
2.95370164 27.85780585 5.71205078
0.00015210 -0.00020945 -0.00003545
0.00197332 0.00193900 -0.05236249
8.69802513 -9.61674510 -2.09806405
-0.00001439 0.00015796 0.00005232
-0.00090703 -0.01091857 0.00162495
-6.33849362 1.39648190 9.88770740
0.00033272 0.00012298 0.00037711
0.01885613 -0.04910669 -0.00571901
19.73853513 9.57306713 6.03643881
0.00020830 -0.00008509 -0.00038288
0.02809762 0.02156208 0.03426556
-3.38380090 0.63595294 -24.28718943
-0.00006316 -0.00016430 0.00001914
-0.06711369 0.00277358 -0.06918518
-13.63017735 8.43396204 9.47812721
-0.00004998 0.00007808 -0.00013539
0.00554763 0.01992311 -0.01126186
-13.82522307 5.75982573 -3.92149810
0.00027889 0.00000443 0.00011721
-0.00169017 0.03824209 0.00367612
-3.80474110 -15.09865884 21.18626889
0.00005962 0.00011012 0.00019620
0.01595503 0.01097330 0.01892901
-6.29509037 8.55074455 -6.56774674
-0.00021465 0.00011874 0.00033370
0.00347277 -0.01562128 -0.00476001
-19.77386041 30.29498741 1.24937357
-0.00002564 0.00029711 0.00016970
-0.02483670 0.00626114 -0.00560802
10.32154676 3.62712775 8.15588899
-0.00016768 0.00005500 -0.00017101
-0.01188718 -0.03935490 -0.03620668
7.46140780 16.50350847 -11.74087443
-0.00014809 0.00001335 -0.00000170
-0.01724714 0.02427000 0.00236196
14.05310368 4.53711294 -0.72261456
-0.00000370 -0.00018190 0.00047137
-0.03352572 0.00436029 0.03929043
-5.65718383 11.86043913 -1.31421423
-0.00033379 -0.00001171 -0.00005501
-0.03984915 0.01575708 0.04703662
8.29823231 11.56141546 4.94059938
0.00029840 -0.00054003 -0.00011531
0.00857921 -0.04705488 0.01066812
19.85720776 -11.18555164 -10.48897782
-0.00000845 0.00012163 -0.00030704
0.00827447 0.03451725 -0.02570528
19.20930921 -5.85805483 -0.22436807
0.00018563 0.00020923 0.00011600
-0.01677986 -0.02310721 0.02172194
15.95734463 7.62558221 9.60294295
-0.00017146 -0.00017634 0.00007192
-0.00805434 0.02014881 0.00490932
3.85923590 -14.59300610 16.58334908
-0.00007388 -0.00023758 -0.00012506
-0.01298836 0.02708668 0.01257474
-3.62661050 -2.52445927 -13.88340673
-0.00040670 -0.00021736 -0.00035615
0.02688157 0.00902105 0.00676992
16.22028610 -6.56495349 -13.25719940
0.00025137 0.00045545 0.00030669
0.00131852 -0.02626251 0.00152613
10.59717942 -4.39949623 6.46853961
-0.00017055 -0.00024277 0.00026089
-0.02031426 0.00053345 -0.01378536
-19.52501560 0.82095794 25.07356347
0.00001804 0.00017440 0.00036771
-0.01881754 0.01127921 -0.00394501
24.06114451 -0.75965227 -7.45667575
-0.00008451 0.00008481 0.00012698
-0.01074831 0.01023277 -0.02891974
11.49011700 -9.76018224 -11.22677391
0.00001548 0.00009411 0.00006188
0.01740823 -0.00123755 0.00847332
-9.72595721 -9.94596937 16.63495628
0.00006545 -0.00005318 0.00028878
0.03075633 0.01174457 0.00984833
7.35877831 0.20112163 -28.58035665
0.00005319 -0.00040955 -0.00007535
0.00909648 -0.00431546 -0.00522670
12.58185209 17.76593442 12.24385088
-0.00004155 0.00008075 0.00009888
0.01357643 0.02511679 -0.00539271
25.92152187 7.41422855 -11.14241667
0.00016498 0.00025058 -0.00010422
0.02853058 0.00917281 0.00457472
3.66205199 -29.87561015 -4.88142885
0.00040330 0.00034749 -0.00003589
0.00942992 0.01825717 -0.00672595
3.38285885 -30.77686946 -2.09082178
-0.00012773 0.00034691 -0.00067373
0.00030820 0.00963874 -0.00031487
-9.67781285 3.25486276 -8.77041651
-0.00019053 -0.00101896 -0.00045892
-0.02441924 -0.01754468 -0.00981319
-11.54018678 2.64268090 -11.15644930
-0.00030958 -0.00013790 0.00056706
0.00640363 0.00261900 0.01717161
-36.92046819 3.45627114 3.08563316
0.00072113 -0.00031151 -0.00021873
-0.00167059 0.02661840 -0.01224251
-38.98026137 1.45802181 3.67552682
0.00026681 0.00041755 0.00078886
0.04183828 0.00095603 0.00716792
-9.01260765 -3.91200345 1.70422722
-0.00069646 -0.00080698 0.00078352
0.00677965 -0.01161386 0.00396350
-6.29665978 -4.66195285 2.64272283
0.00012264 -0.00006334 0.00000817
-0.00042818 -0.00708560 -0.00232594
3.42289109 -1.23786015 9.08950972
0.00033172 -0.00059783 -0.00041294
0.03083633 -0.02883266 -0.02092294
1.88896787 1.09530789 8.32181208
-0.00074128 -0.00078351 0.00024358
0.00314372 -0.00504869 0.01037742
-30.85597090 -0.32543778 3.79277737
0.00015636 -0.00032149 0.00030033
0.00520555 -0.03770514 0.00128533
-33.07835209 1.57694713 3.22153315
0.00015740 -0.00055376 0.00092796
0.01377371 -0.01335460 0.00759753
15.49580652 11.76833399 -18.63404914
-0.00019415 0.00003404 -0.00072965
0.01096554 0.04437876 0.03113456
17.95330050 12.27039706 -17.26250749
0.00046072 -0.00008259 0.00001971
-0.00885073 0.00892901 0.00077855
-2.87532038 6.51846594 5.15931013
0.00074611 0.00029878 -0.00030599
0.00446746 -0.00895567 -0.00633556
-3.84018725 5.63649438 2.60149680
0.00028653 0.00029084 0.00013164
0.01461189 -0.01061611 0.01858553
5.87333424 16.79144838 -8.09801818
0.00055661 0.00031783 -0.00063866
-0.02267542 0.01937279 0.02891615
5.82033024 18.83260451 -5.81582331
-0.00118884 -0.00080893 0.00071988
-0.01496373 -0.02946677 -0.01726485
8.88204618 6.42589961 -22.73194732
0.00112349 -0.00031703 0.00059912
-0.00840286 0.00713942 0.00527565
9.67179383 7.42449643 -19.98967834
-0.00040943 -0.00012310 -0.00066377
0.00252964 0.00597066 -0.00173755
19.55679385 20.17270099 -3.97753809
0.00070450 0.00044573 -0.00128940
0.00145569 -0.01576087 -0.02933048
20.85659190 19.60991967 -6.61016435
0.00021704 0.00005852 0.00096480
-0.00093289 0.00369894 0.00694418
1.99535241 12.99829262 -20.81226439
-0.00064030 0.00009357 0.00021718
-0.01491278 -0.00674358 0.00992232
0.43981999 15.35764765 -21.92568292
-0.00035061 -0.00053256 -0.00012937
-0.03302388 -0.00288042 -0.00217623
9.80885765 -7.11962659 -0.46288904
0.00019109 0.00073228 0.00028534
-0.00745244 -0.01244418 -0.00769487
9.26860017 -4.27361524 -0.37167850
0.00031850 -0.00053177 0.00026015
-0.00455890 0.00723691 -0.00376965
-16.99594691 -6.51633346 6.36192862
-0.00034316 -0.00032764 -0.00043800
-0.00387882 0.01103941 -0.01066634
-18.06410844 -5.33961746 3.76121224
0.00001324 0.00024747 0.00058096
0.02240262 -0.01136221 0.01915810
-14.26882029 -0.92856632 18.90447570
0.00010068 -0.00009667 0.00033695
-0.00388626 -0.00473964 0.04419325
-15.04183290 -0.26918733 21.85102959
-0.00011082 0.00013023 -0.00095253
0.00715811 -0.01176598 -0.01470600
-0.16242893 2.91787197 -3.49926748
-0.00020673 -0.00013705 0.00094790
-0.00818992 0.00421399 0.01296771
0.87163368 2.21961492 -5.95641938
0.00057306 -0.00003774 -0.00049757
0.00967690 0.01263762 0.00384048
20.09452074 -9.10547444 -5.64270406
-0.00089961 0.00005811 -0.00061293
0.00384826 0.00810875 -0.02421463
22.76300700 -9.49589940 -4.20879967
0.00098649 0.00054856 0.00072682
0.00843337 0.00371679 -0.01359911
4.70576552 -11.30251189 6.54890294
-0.00023663 0.00023617 0.00051513
-0.05926674 0.01507485 -0.00349897
2.51726707 -11.58991297 8.48711339
-0.00017111 0.00035256 0.00041591
0.00360892 0.01619343 -0.02937494
-2.71191347 -3.13622014 -20.51011407
-0.00004500 -0.00021836 -0.00027382
0.02358749 0.02787926 0.03679331
-2.63323960 -1.38360069 -17.91136508
-0.00043039 -0.00007536 0.00001876
-0.01604580 -0.00378554 0.01518998
1.21522274 5.71272062 -11.38832387
0.00062490 0.00062272 -0.00090956
-0.03461281 -0.01612261 0.01234017
-0.91095074 4.24158183 -9.67388924
-0.00047036 0.00078774 -0.00111467
0.00328003 0.00710073 -0.00701154
-4.04575100 16.64679892 14.87865169
-0.00026931 0.00095923 -0.00015367
-0.01615641 -0.02909282 -0.03554894
-6.64867157 15.98052561 13.79988436
-0.00003439 0.00061552 -0.00049118
0.00429827 -0.00510457 -0.00385196
-5.49805073 2.06491717 -6.43844254
0.00060459 0.00025612 -0.00040118
0.00298948 0.00431504 -0.01506324
-5.61476073 2.20020157 -9.47003876
0.00054214 -0.00070825 -0.00034281
0.01015686 0.01094859 0.01651448
-9.38613306 -1.53673950 -4.32372029
0.00085221 0.00020475 -0.00067102
-0.00622698 -0.00144862 0.00729206
-9.33546054 1.21658841 -3.27403914
0.00008094 -0.00089631 0.00014848
-0.02578558 0.02551136 0.03323385
2.43220649 29.12256144 4.34213617
-0.00016064 0.00019966 -0.00045279
0.00595445 -0.02342238 0.03845243
2.55910439 28.34185661 7.37876663
-0.00084580 -0.00100990 -0.00030955
-0.00805004 0.01462395 0.01071386
7.27844472 -10.15485077 -3.09711111
-0.00141013 0.00046025 -0.00047004
-0.01146223 0.00862791 -0.00227303
8.83220009 -10.94702979 -0.86641221
0.00062596 -0.00021098 0.00009854
0.00389299 -0.00873304 0.00633377
-5.45291645 -0.37174489 9.62504384
-0.00052376 -0.00005264 0.00014550
0.00118329 0.03792884 -0.00614524
-8.01897104 0.75912286 9.99779838
0.00014882 -0.00025268 -0.00029839
-0.02036751 0.00545827 0.00209211
19.31655190 9.53784031 7.88913591
-0.00029514 0.00057730 -0.00048583
0.00135409 -0.00020827 -0.02795667
21.48784958 10.32447108 6.02716885
-0.00106301 -0.00084246 0.00023189
-0.02176670 -0.01495623 -0.00339712
-2.92351296 0.49441597 -22.63513071
-0.00033144 0.00063720 0.00034956
0.01524964 -0.00741171 0.07015325
-5.34253251 0.60485104 -24.35404369
0.00039565 -0.00057247 -0.00063361
0.05227675 -0.00005882 -0.00003859
-12.75013852 9.52726445 10.67147253
-0.00039627 0.00019054 -0.00006811
0.00085169 -0.00499805 -0.00060602
-13.43924995 9.56578760 7.98031252
-0.00040391 -0.00005258 0.00023941
-0.00964079 -0.01319531 0.00581145
-13.77420457 4.25757070 -4.83158115
-0.00002384 -0.00061254 -0.00073229
0.00510867 -0.03798764 -0.01686131
-14.94699679 6.80558320 -4.98272738
-0.00014492 -0.00059090 -0.00021434
0.00109611 -0.00756908 0.01695216
-5.29457268 -16.12241244 21.28988787
-0.00009971 0.00021413 -0.00064536
-0.01758720 -0.00949452 -0.00798998
-3.01595887 -15.43837605 19.61141423
-0.00002073 0.00033498 0.00040340
0.00278601 -0.00249347 -0.01317890
-6.52579117 6.69812896 -6.56316331
-0.00002918 0.00045946 -0.00025470
0.00332669 0.02042873 0.00492794
-7.41028759 9.38494398 -5.35359136
-0.00132439 -0.00006795 -0.00000931
-0.00078999 -0.00855680 -0.01076110
-20.73121730 31.06568691 -0.11148687
-0.00061813 -0.00032565 0.00071295
0.00059953 -0.00711566 0.00756413
-18.05772032 30.68283045 0.95955597
0.00068716 -0.00057748 -0.00087367
0.02690424 0.00054021 -0.00416694
9.12136936 3.03354484 6.76429320
0.00013778 0.00062278 0.00087526
0.01767218 0.00283750 0.02517781
9.89465391 5.33593627 8.38139158
-0.00060016 0.00093059 0.00013726
-0.01066915 0.03610473 0.00894042
8.52158363 17.87923737 -12.42133961
0.00001449 0.00049707 0.00037828
-0.00574252 -0.02154007 0.00292479
8.61709600 15.22467562 -11.23384186
-0.00011801 -0.00025248 -0.00021874
0.01519775 -0.00894014 0.00110228
12.71349162 5.59709541 0.16867810
0.00019125 -0.00009113 -0.00047854
0.03260340 -0.01128300 -0.02619950
14.32940826 3.39802423 0.74444968
0.00050917 -0.00096241 0.00068474
0.00009330 -0.00181642 -0.01068441
-4.61964613 11.73477142 -2.71439223
-0.00092626 0.00020998 0.00075431
0.03454711 -0.01492326 -0.03019372
-5.52810433 10.30979840 -0.30348893
0.00050110 -0.00053923 -0.00110796
0.00694061 0.00905637 -0.01859074
7.88011923 13.24080181 4.74828233
-0.00026301 -0.00154698 0.00019099
-0.01368593 0.05415869 -0.00593750
10.07791163 11.42561609 4.52764078
0.00002755 -0.00023752 0.00020910
0.00280749 -0.00537711 -0.00133374
18.70463012 -11.32381073 -9.15463291
0.00085234 0.00113092 0.00038060
-0.02149998 -0.00259270 0.02634575
20.60416425 -12.77697441 -10.64059747
0.00042707 -0.00089582 0.00023385
0.01630326 -0.03638337 0.00186469
18.86192371 -5.11024010 -1.79655535
0.00024457 0.00065408 0.00062899
0.00283109 0.01127703 -0.02939515
18.12881407 -7.43567251 -0.34031618
0.00018243 0.00022340 0.00021671
0.01263292 0.00995259 0.00825542
15.14471447 9.27821561 9.32740007
-0.00047985 -0.00055441 0.00002127
0.00682798 -0.01895775 0.00466398
16.56437308 7.63106668 11.33938583
0.00011390 0.00065312 -0.00039601
-0.00531864 0.00039475 -0.00662486
2.64498969 -15.70740521 17.44571940
-0.00003424 0.00048060 0.00119020
0.00775750 -0.00721803 -0.01200677
3.41852986 -12.91277540 17.28290052
-0.00108142 -0.00010759 0.00067237
0.00925207 -0.01205012 -0.01384794
-4.07657789 -4.33043184 -13.59266345
-0.00051313 0.00024082 -0.00036305
-0.00615436 0.00771558 -0.00097686
-1.86013754 -2.29648818 -13.34926842
-0.00050221 0.00012665 -0.00009370
-0.01723083 -0.00090392 -0.00426208
16.04740212 -7.40839361 -14.93190411
-0.00023361 0.00045518 0.00008058
0.00143732 -0.00309408 0.00100443
17.18350243 -7.69388104 -12.10087513
0.00024522 0.00046848 0.00040490
-0.01110684 0.01513472 -0.01200309
9.59259963 -4.47774783 4.90895216
-0.00070281 0.00062103 0.00098314
-0.00661819 0.00153234 0.01793516
12.19583614 -4.70785613 5.72337846
0.00085165 0.00057740 0.00029426
0.02758717 0.00139373 -0.00308628
-21.12353444 0.06375444 24.54137779
-0.00066142 -0.00012865 -0.00023419
0.00620552 -0.01601921 0.00382862
-20.13695109 2.48304303 25.52723066
-0.00011092 -0.00017625 -0.00120219
0.00453032 0.00954375 0.00650426
24.58756503 -2.48735985 -7.20725203
-0.00023296 -0.00005794 0.00039609
0.01064463 -0.00866628 0.00504089
24.12372860 -0.55257025 -9.34409937
-0.00009788 -0.00060591 0.00060850
-0.00239366 0.00393080 0.01869349
12.54574656 -10.26811018 -9.77770377
-0.00005750 -0.00045161 0.00078781
-0.00856599 0.01143517 -0.00784667
12.45661777 -8.44864656 -12.11060735
0.00028829 0.00039342 -0.00021625
-0.00654901 -0.01035272 0.00564626
-9.37854506 -9.09986178 18.24905055
-0.00004553 0.00001784 0.00036067
0.00225827 -0.00890513 -0.01234686
-11.49725089 -9.91605279 16.63242245
-0.00081343 0.00150893 0.00059540
-0.02647662 -0.00196091 0.00128225
8.40292162 0.43507063 -30.10003718
-0.00043509 -0.00078047 -0.00019467
0.00598734 0.00482975 0.01298714
5.74403961 0.86345162 -29.04184275
-0.00029125 -0.00054363 -0.00084518
-0.01525299 0.00014554 0.00091094
12.45268223 19.64286346 12.50797048
-0.00001329 0.00005432 0.00012757
0.00847629 -0.03524834 -0.01006727
13.87833102 17.34214314 10.90983159
-0.00064698 -0.00031433 -0.00115820
-0.01851323 0.01749368 0.01581323
27.74882962 7.71123998 -11.58042726
-0.00019952 0.00005552 0.00056484
-0.01657133 -0.00428630 -0.00643510
25.97890935 7.37743569 -9.29908599
-0.00047036 -0.00083133 -0.00042220
-0.00654120 0.00295995 0.00363927
-7.14254676 4.58728012 6.69290984
0.00028318 -0.00007719 -0.00004804
-0.00071159 -0.00678424 -0.00495961
-8.95769661 8.74330776 3.87476293
0.00022787 -0.00008494 0.00002327
-0.00120550 -0.00714893 -0.00411459
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07924298
0.27297812
363.72966124
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3234754651 (a.u.)
total exchange computation time: 3.0196769238 s
-153.8796959712
-931.35707317
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3235852476 (a.u.)
total exchange computation time: 3.0204830170 s
-153.8799995157
Anderson extrapolation: theta=1.3470337604 (1.3470337604)
-931.35732102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3236823028 (a.u.)
total exchange computation time: 3.0173220634 s
-153.8809377926
Anderson extrapolation: theta=0.0504124720 (0.0504124720)
-931.35746935
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3236433971 (a.u.)
total exchange computation time: 3.0182139874 s
-153.8814751411
Anderson extrapolation: theta=1.9048112952 (1.9048112952)
-931.35747476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.3235550525 (a.u.)
total exchange computation time: 3.0181009769 s
-153.8826159244
Anderson extrapolation: theta=0.2225689048 (0.2225689048)
-931.35748028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3235329200 (a.u.)
total exchange computation time: 3.0188310146 s
-153.8828755077
Anderson extrapolation: theta=1.8995233493 (1.8995233493)
-931.35748130
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3235056303 (a.u.)
total exchange computation time: 3.0215411186 s
-153.8832132390
Anderson extrapolation: theta=0.2869244468 (0.2869244468)
-931.35748251
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3235121838 (a.u.)
total exchange computation time: 3.0202040672 s
-153.8831633010
Anderson extrapolation: theta=1.2918644164 (1.2918644164)
-931.35748278
73.316292 68.025247 -295.121407
546.779626 1079.785873 -416.239032
620.095919 1147.811120 -711.360439
1485.941786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0641715116
ExchangeOperator: pair fraction: ispin=0: 0.1640021633
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3235303507 (a.u.)
total exchange computation time: 3.0229170322 s
678.14670971
-1082.16154945
89.83729827
-390.16753322
-174.68887788
77.38483090
551.60419304
0.00000000
-931.35748292
3.68479129 -31.34615479 -3.83002630
-0.00038588 0.00035329 0.00003229
0.00139781 -0.02472085 0.00261510
-11.15873349 2.23037205 -9.33031236
-0.00000541 -0.00004499 -0.00009866
0.01156026 0.00559179 -0.00877518
-37.07303150 1.90929220 3.95301348
0.00019099 0.00019569 0.00011685
-0.02395591 -0.02514950 0.00388045
-7.72844315 -3.61837990 3.01398191
0.00005485 -0.00010359 -0.00028348
-0.00832373 0.01061761 -0.00168665
2.27721230 -0.06890310 9.69918749
0.00016161 0.00029110 -0.00009845
-0.02531785 0.02110665 0.00683998
-31.25692089 1.37877914 3.50835708
-0.00017318 0.00009350 -0.00007359
-0.01164187 0.04594421 -0.00888596
16.42782379 13.26874595 -17.69114881
0.00014472 -0.00021094 0.00005788
-0.00118538 -0.04376547 -0.02619443
-3.25145071 4.92909924 4.23040124
-0.00022042 -0.00020688 -0.00060503
-0.01249906 0.01625490 -0.01022919
4.82673088 17.37201262 -6.55835769
0.00007416 0.00012675 -0.00017677
0.03630102 0.00113521 -0.02408575
8.28928843 7.28183274 -21.18591568
0.00005510 0.00054053 -0.00013996
-0.00562198 -0.01054648 -0.01272431
19.75706322 18.83715156 -5.36405941
0.00055724 -0.00006324 0.00006536
-0.00736412 0.01446041 0.02327864
2.02191137 14.68478360 -21.42762248
0.00005234 -0.00008102 0.00010429
0.04212736 0.00862487 -0.00259762
10.49489745 -5.54842812 0.07866828
0.00000041 -0.00002830 -0.00020577
0.02545005 0.01988499 0.01815115
-16.53465952 -5.54471189 4.85239550
0.00020334 -0.00006049 -0.00023042
-0.01946580 -0.00230117 -0.00584451
-14.23573471 -1.53920273 20.75458929
0.00009839 0.00003885 0.00002231
-0.00619257 0.02240019 -0.03053572
0.86544439 3.67078463 -4.78004880
-0.00043891 -0.00000148 -0.00018425
-0.00742549 -0.02131246 -0.00690929
20.94653186 -9.58633601 -4.16586425
-0.00032525 0.00009696 -0.00034652
-0.01518857 -0.01448365 0.02592253
2.77883112 -10.82761207 6.74909778
-0.00004500 -0.00006101 -0.00014103
0.05520762 -0.02889282 0.03750597
-1.79327575 -1.75637472 -19.43838132
-0.00020243 -0.00020794 0.00024701
-0.00765380 -0.02686257 -0.05451760
-0.61509306 5.11245011 -11.26699552
0.00004300 0.00023811 0.00015298
0.02446323 0.01581827 -0.01275172
-4.89250923 15.46919498 13.52094507
0.00006273 0.00000113 0.00035873
0.01541614 0.03498447 0.06019037
-4.96058468 3.07729313 -7.89903815
-0.00004662 0.00012886 -0.00045649
-0.01172827 -0.00803180 0.00203922
-8.65308192 0.10693355 -4.43330010
0.00008018 -0.00021786 0.00032335
0.04076289 -0.01804941 -0.03739332
2.95599071 27.85467162 5.71131708
0.00015308 -0.00020807 -0.00006327
0.00185689 0.00341936 -0.05584441
8.69780573 -9.61441775 -2.09727302
-0.00001671 0.00015139 0.00005217
-0.00808731 -0.01464606 -0.00220254
-6.33343010 1.39813722 9.89334193
0.00034157 0.00009746 0.00037404
0.01557853 -0.05014043 -0.00619381
19.74176805 9.57187395 6.03082774
0.00022069 -0.00007488 -0.00036516
0.02007526 0.01814894 0.03466389
-3.38500713 0.63349910 -24.28716919
-0.00009666 -0.00016306 -0.00001556
-0.06316043 0.00207767 -0.06573870
-13.63090568 8.43521008 9.47605286
-0.00004727 0.00008789 -0.00014067
0.00499767 0.01821237 -0.00925451
-13.82104617 5.76003967 -3.91972572
0.00027795 0.00002184 0.00011755
-0.00199763 0.02946050 -0.00235684
-3.80378525 -15.09696477 21.18928496
0.00006743 0.00011571 0.00020629
0.01441025 0.01077005 0.02030393
-6.29829669 8.55246545 -6.56275961
-0.00021316 0.00011166 0.00033164
0.00231085 -0.01191152 -0.00325665
-19.77434087 30.29946814 1.25189737
-0.00003649 0.00030030 0.00016724
-0.01735650 0.00614889 -0.00395794
10.31898572 3.62780090 8.15318419
-0.00017347 0.00003761 -0.00018816
-0.01063968 -0.02824695 -0.03050575
7.45911989 16.50380240 -11.74089076
-0.00015654 0.00002590 -0.00000042
-0.01559823 0.02453031 0.00258787
14.05291888 4.53440129 -0.71539244
-0.00002004 -0.00018074 0.00049167
-0.03001070 0.00015089 0.03966432
-5.66234437 11.86032425 -1.31485796
-0.00035549 -0.00000358 -0.00002905
-0.04453294 0.01587089 0.05389847
8.30274137 11.55313352 4.93891094
0.00030265 -0.00056608 -0.00010943
0.00795882 -0.05423205 0.01218319
19.85711286 -11.18359410 -10.49368259
-0.00000301 0.00013696 -0.00032076
0.01291216 0.02509443 -0.02762936
19.21202895 -5.85500554 -0.22254424
0.00017716 0.00019715 0.00012766
-0.01617068 -0.02387694 0.02359757
15.95474160 7.62301482 9.60404075
-0.00017567 -0.00016624 0.00007394
-0.00828387 0.01911974 0.00292035
3.85807755 -14.59646534 16.58152176
-0.00008126 -0.00022284 -0.00011773
-0.01570664 0.03022275 0.01592499
-3.63260723 -2.52768489 -13.88872291
-0.00039275 -0.00021190 -0.00035278
0.02736587 0.01221271 0.00634017
16.22406167 -6.55822299 -13.25259322
0.00025177 0.00044174 0.00030707
0.00027039 -0.02704836 -0.00005331
10.59454287 -4.40313566 6.47239986
-0.00017907 -0.00024265 0.00025396
-0.01281459 -0.00008101 -0.01319655
-19.52481757 0.82361738 25.07906384
0.00000735 0.00017835 0.00036480
-0.02275620 0.00409477 -0.00734263
24.05983536 -0.75834070 -7.45488264
-0.00008991 0.00008958 0.00011292
-0.01024660 0.00831936 -0.02576112
11.49041643 -9.75877540 -11.22581305
0.00002524 0.00009367 0.00006664
0.02052189 -0.00045813 0.01003912
-9.72485681 -9.94672176 16.63932601
0.00007891 -0.00004706 0.00029392
0.02159241 0.01206386 0.01013715
7.35961119 0.19496178 -28.58150706
0.00005670 -0.00041131 -0.00007816
0.00455721 -0.00254567 -0.00570916
12.58128115 17.76724255 12.24531332
-0.00003417 0.00009330 0.00009560
0.01514010 0.02366905 -0.00737995
25.92410664 7.41802256 -11.14396235
0.00017877 0.00025511 -0.00010211
0.02509730 0.00845957 0.00362945
3.66839043 -29.86983836 -4.88217336
0.00044185 0.00042160 -0.00006374
0.00943998 0.01801938 -0.00690700
3.38095241 -30.77137038 -2.10093744
-0.00012756 0.00038875 -0.00066499
-0.00022781 0.01083896 0.00459528
-9.68141902 3.23904070 -8.77760103
-0.00028176 -0.00108427 -0.00049574
-0.02024289 -0.01442329 -0.00821081
-11.54463424 2.64069272 -11.14741721
-0.00028409 -0.00012584 0.00063136
0.00607539 0.00328336 0.01430253
-36.90970248 3.45241411 3.08197714
0.00071408 -0.00020055 -0.00027022
-0.00177835 0.02769964 -0.01296379
-38.97497712 1.46431437 3.68757937
0.00043615 0.00042173 0.00081696
0.04105391 0.00109040 0.00658527
-9.02284679 -3.92446408 1.71610147
-0.00066918 -0.00085492 0.00079751
0.00657557 -0.01184919 0.00288616
-6.29483337 -4.66312001 2.64277408
0.00012065 -0.00009271 -0.00000187
-0.00054533 -0.00729509 -0.00258807
3.42881175 -1.24771115 9.08267448
0.00044497 -0.00070291 -0.00049247
0.02460065 -0.02260338 -0.01800716
1.87794495 1.08340055 8.32578375
-0.00073010 -0.00079726 0.00027693
0.00232895 -0.00168387 0.00595001
-30.85346603 -0.33141554 3.79732165
0.00017593 -0.00046478 0.00030373
0.00437341 -0.03243653 0.00038224
-33.07556897 1.56823144 3.23568537
0.00020553 -0.00060638 0.00095727
0.00978525 -0.01240087 0.00674976
15.49323032 11.77020450 -18.64403976
-0.00014741 0.00021555 -0.00060055
0.01191341 0.04447165 0.03205994
17.95994003 12.26943183 -17.26218794
0.00042158 -0.00004560 0.00002167
-0.01030579 0.00917734 0.00018124
-2.86399180 6.52267320 5.15452619
0.00076189 0.00025394 -0.00033575
0.00325638 -0.01299440 -0.00823447
-3.83544153 5.64053173 2.60404098
0.00034273 0.00024984 0.00019927
0.01289724 -0.00945693 0.01452006
5.88098861 16.79680950 -8.10671199
0.00046192 0.00039873 -0.00051689
-0.02368003 0.02022705 0.03069059
5.80203909 18.81956761 -5.80555422
-0.00124229 -0.00092029 0.00065287
-0.01119988 -0.02504559 -0.01553257
8.89864106 6.42136289 -22.72279883
0.00108612 -0.00028653 0.00062075
-0.00988954 0.00778978 0.00531207
9.66572986 7.42283288 -19.99968819
-0.00039158 -0.00009683 -0.00066147
0.00621062 0.00688748 0.00286500
19.56740592 20.17890392 -3.99777781
0.00070809 0.00038376 -0.00140156
0.00030480 -0.01457366 -0.02557579
20.85981893 19.61091077 -6.59547961
0.00022042 0.00007653 0.00098306
0.00258605 0.00512009 0.00199540
1.98529089 12.99948952 -20.80870269
-0.00069978 0.00006401 0.00025832
-0.01420151 -0.00772396 0.01021627
0.43354892 15.34957096 -21.92769021
-0.00048038 -0.00054493 -0.00013702
-0.03050048 -0.00317436 -0.00156445
9.81149562 -7.10902368 -0.45884472
0.00015544 0.00066772 0.00024994
-0.00999884 -0.01915759 -0.00963362
9.27323792 -4.28137007 -0.36789174
0.00029351 -0.00049490 0.00024262
-0.00767063 0.01081161 -0.00481406
-17.00121316 -6.52090971 6.35503175
-0.00035731 -0.00028191 -0.00048190
-0.00304648 0.01134459 -0.01081998
-18.06322332 -5.33625362 3.77051366
0.00010205 0.00020218 0.00065523
0.02106870 -0.01080845 0.01719880
-14.26742920 -0.93016165 18.91088411
0.00008536 -0.00011591 0.00051336
-0.00361404 -0.00467829 0.04216454
-15.04327593 -0.26759436 21.83629096
-0.00008417 0.00008586 -0.00100754
0.00588833 -0.00995586 -0.01222114
-0.16578087 2.91594538 -3.48465167
-0.00023298 -0.00011656 0.00098969
-0.00465694 0.00581721 0.00748993
0.88052609 2.21943607 -5.96376521
0.00061049 0.00001561 -0.00047785
0.00864536 0.01347534 0.00581328
20.08114449 -9.10435424 -5.65264000
-0.00087802 0.00008914 -0.00070404
0.00672023 0.00707818 -0.02038751
22.77806280 -9.48755713 -4.19831407
0.00100125 0.00056329 0.00066973
-0.00121107 0.00349244 -0.01434939
4.70039994 -11.29850747 6.55652266
-0.00047556 0.00029641 0.00049966
-0.05769203 0.01441494 -0.00407535
2.51481099 -11.58412829 8.49245184
-0.00015618 0.00041973 0.00029243
0.00369813 0.01668477 -0.03106851
-2.71186565 -3.13864127 -20.51309388
0.00005145 -0.00010400 -0.00012245
0.02362341 0.02810007 0.03730318
-2.64018707 -1.38484713 -17.91061817
-0.00049629 -0.00009083 0.00008117
-0.01621546 -0.00378734 0.01536105
1.22353557 5.72156742 -11.40158917
0.00047740 0.00055394 -0.00085636
-0.03759005 -0.01754716 0.01370133
-0.91790570 4.25361549 -9.69082419
-0.00045847 0.00080739 -0.00112538
0.00254225 0.00251730 0.00176905
-4.05028580 16.66029591 14.87525735
-0.00033454 0.00083899 -0.00029837
-0.01577390 -0.02976513 -0.03528255
-6.64905568 15.98960201 13.79239861
-0.00001564 0.00059380 -0.00050718
0.00488139 -0.00552650 -0.00397925
-5.48889032 2.06889118 -6.44492187
0.00061580 0.00027226 -0.00045982
0.00249943 0.00358401 -0.01364056
-5.60631743 2.18991334 -9.47467478
0.00058312 -0.00066229 -0.00027488
0.00990292 0.01154879 0.01673316
-9.37354079 -1.53371265 -4.33356218
0.00082132 0.00018727 -0.00064028
-0.00889199 -0.00710594 0.00775805
-9.33503666 1.20392548 -3.27079353
-0.00002843 -0.00078666 0.00029071
-0.02774886 0.02816476 0.03638838
2.42997930 29.12483865 4.33652256
-0.00013470 0.00010042 -0.00029205
0.00674294 -0.02515621 0.04023113
2.54617070 28.32715623 7.37445161
-0.00087989 -0.00094911 -0.00026274
-0.00863655 0.01513477 0.01220319
7.25694146 -10.14768256 -3.10423137
-0.00144083 0.00049965 -0.00046669
-0.00356384 0.01065485 0.00391296
8.84170882 -10.95046210 -0.86474004
0.00063988 -0.00024299 0.00011925
0.00292132 -0.00693713 0.00380600
-5.46073656 -0.37137218 9.62703807
-0.00051605 0.00010109 0.00012024
0.00259190 0.03732146 -0.00622131
-8.01736291 0.75549995 9.99338669
0.00006933 -0.00022740 -0.00028987
-0.01854341 0.00691369 0.00207930
19.31216622 9.54649345 7.88099183
-0.00029045 0.00057545 -0.00059898
0.00094445 -0.00069617 -0.02743342
21.47123749 10.31137595 6.03054307
-0.00113469 -0.00089609 0.00021656
-0.01332316 -0.01129641 -0.00410394
-2.92801721 0.50374681 -22.62773758
-0.00027186 0.00060808 0.00062835
0.01391535 -0.00684064 0.06631766
-5.33499582 0.59626226 -24.36354906
0.00060373 -0.00057219 -0.00063308
0.04957742 0.00019567 0.00030032
-12.75605645 9.52996940 10.67043233
-0.00039190 0.00017045 -0.00006992
0.00128548 -0.00483837 -0.00028172
-13.44560397 9.56459458 7.98408169
-0.00044247 -0.00010344 0.00025830
-0.00923812 -0.01170383 0.00343646
-13.77440563 4.24721849 -4.84308221
-0.00000295 -0.00075104 -0.00079026
0.00511504 -0.02980692 -0.01151373
-14.94913698 6.79648775 -4.98542295
-0.00013976 -0.00062061 -0.00014382
0.00142761 -0.00697166 0.01756482
-5.29660723 -16.11949148 21.27996262
-0.00017120 0.00017583 -0.00067674
-0.01740931 -0.00925383 -0.00736884
-3.01618441 -15.43342769 19.61706137
-0.00000688 0.00032471 0.00034567
0.00399459 -0.00253701 -0.01507935
-6.52612698 6.70564681 -6.56683280
-0.00001668 0.00053735 -0.00023445
0.00279172 0.01769973 0.00498270
-7.43017763 9.38366252 -5.35406080
-0.00132430 -0.00010487 -0.00005651
0.00083150 -0.00951441 -0.01234075
-20.74047085 31.06058408 -0.10056084
-0.00061777 -0.00035194 0.00073932
-0.00042398 -0.00575298 0.00534293
-18.04658844 30.67418475 0.94632318
0.00078383 -0.00057785 -0.00088922
0.02041543 -0.00071712 -0.00344080
9.12397756 3.04297351 6.77819370
0.00020297 0.00063029 0.00096894
0.01423749 0.00083849 0.02067524
9.88532462 5.35100145 8.38372441
-0.00063873 0.00105990 0.00017180
-0.00821158 0.02719687 0.00796720
8.52162497 17.88603340 -12.41557575
-0.00001077 0.00040607 0.00039137
-0.00661941 -0.02300661 0.00348313
8.61579153 15.22061449 -11.23708914
-0.00005762 -0.00028667 -0.00021527
0.01436263 -0.00779912 0.00059663
12.71735940 5.59538265 0.16069717
0.00032100 -0.00013556 -0.00058077
0.03091380 -0.01046328 -0.02384379
14.33704867 3.38353239 0.75439345
0.00050606 -0.00096263 0.00063514
-0.00161599 0.00170975 -0.01359664
-4.63248136 11.73746384 -2.70400279
-0.00077403 0.00014965 0.00061406
0.03996773 -0.01460985 -0.03846128
-5.52037523 10.30198739 -0.32067798
0.00052825 -0.00050316 -0.00118110
0.00635311 0.00860389 -0.01721377
7.87575475 13.21925673 4.75096528
-0.00032270 -0.00131086 0.00016487
-0.01553496 0.06142114 -0.00684907
10.07841097 11.42188851 4.53073644
0.00004410 -0.00025948 0.00020241
0.00528974 -0.00537339 -0.00193995
18.71675634 -11.30692645 -9.14811661
0.00076449 0.00112006 0.00048901
-0.02150374 -0.00272095 0.02672363
20.61106994 -12.79152654 -10.63703258
0.00048394 -0.00102538 0.00024395
0.01153079 -0.02704117 0.00308024
18.86567907 -5.10008339 -1.78802122
0.00025502 0.00070136 0.00050543
0.00228035 0.01186802 -0.03108892
18.13193766 -7.43201645 -0.33681251
0.00023376 0.00026424 0.00024965
0.01249369 0.01003505 0.00786957
15.13772597 9.26931850 9.32786198
-0.00045348 -0.00062879 0.00003914
0.00607927 -0.01744901 0.00408527
16.56591858 7.64087560 11.33324262
0.00009426 0.00065396 -0.00041786
-0.00429457 0.00001481 -0.00407085
2.64471384 -15.70041740 17.46320446
-0.00000074 0.00044950 0.00113850
0.00864227 -0.00800515 -0.01329990
3.40259213 -12.91475856 17.29256175
-0.00103969 -0.00016218 0.00061114
0.01117447 -0.01467107 -0.01612290
-4.08446350 -4.32658315 -13.59813917
-0.00053846 0.00026735 -0.00036594
-0.00624235 0.00526996 -0.00043553
-1.86819875 -2.29461611 -13.35080448
-0.00057254 0.00012233 -0.00011122
-0.01719261 -0.00121032 -0.00431516
16.04394198 -7.40166070 -14.93066456
-0.00022674 0.00044303 0.00008743
0.00192811 -0.00285381 0.00234643
17.18684038 -7.68639007 -12.09516947
0.00019981 0.00052998 0.00035571
-0.01112246 0.01496824 -0.01207515
9.58185474 -4.46838540 4.92424882
-0.00073030 0.00062606 0.00105143
-0.00683947 0.00093103 0.01549400
12.20945629 -4.69915237 5.72769772
0.00094962 0.00058548 0.00028526
0.02036618 0.00255789 -0.00131681
-21.13326554 0.06133387 24.53798226
-0.00062556 -0.00018963 -0.00021443
0.01134458 -0.01383161 0.00584311
-20.13847603 2.48069175 25.50939719
-0.00009506 -0.00012796 -0.00117275
0.00323057 0.01409555 0.00790535
24.58439683 -2.48849458 -7.20115628
-0.00019014 -0.00009105 0.00041663
0.01031664 -0.00753809 0.00501789
24.12218705 -0.56153839 -9.33439903
-0.00010772 -0.00058828 0.00067808
-0.00242343 0.00469569 0.01536501
12.54462153 -10.27453394 -9.76612707
-0.00009640 -0.00040156 0.00074856
-0.01047317 0.01306377 -0.01136817
12.46074137 -8.44306251 -12.11367803
0.00025887 0.00034595 -0.00018909
-0.00785214 -0.01288305 0.00764669
-9.37915878 -9.09986700 18.25408227
-0.00003506 -0.00001880 0.00031013
0.00286404 -0.00903114 -0.01239425
-11.51026372 -9.89347887 16.64139274
-0.00090409 0.00150029 0.00060013
-0.01790281 -0.00226775 0.00103320
8.39657876 0.42351158 -30.10255927
-0.00040830 -0.00076080 -0.00014364
0.00712817 0.00479782 0.01199413
5.73920339 0.85530168 -29.05449259
-0.00034678 -0.00054609 -0.00083861
-0.01192667 -0.00135147 0.00230565
12.45274260 19.64259816 12.50957557
0.00002132 -0.00008830 0.00008614
0.00846435 -0.03456488 -0.01021419
13.86805909 17.33796429 10.89294308
-0.00072526 -0.00024127 -0.00108908
-0.01980627 0.01827061 0.01802271
27.74532904 7.71194150 -11.57215190
-0.00026141 0.00003888 0.00053633
-0.01372440 -0.00385899 -0.00751759
25.97165352 7.36505647 -9.30530749
-0.00049681 -0.00081891 -0.00040302
-0.00640657 0.00311897 0.00574795
-7.13830093 4.58610400 6.69217589
0.00028290 -0.00007959 -0.00004983
-0.00085897 -0.00661894 -0.00502091
-8.95428065 8.74202126 3.87510487
0.00022759 -0.00008658 0.00002232
-0.00121118 -0.00702907 -0.00411497
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07927611
0.27820681
370.69662838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3287739449 (a.u.)
total exchange computation time: 2.9963080883 s
-153.8978429840
-931.36357867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3288794664 (a.u.)
total exchange computation time: 2.9929540157 s
-153.8980738593
Anderson extrapolation: theta=1.3606891058 (1.3606891058)
-931.36382100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3289502122 (a.u.)
total exchange computation time: 2.9962439537 s
-153.8990523263
Anderson extrapolation: theta=0.0558651204 (0.0558651204)
-931.36396958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3288924174 (a.u.)
total exchange computation time: 2.9924957752 s
-153.8997049054
Anderson extrapolation: theta=2.0856257711 (2.0000000000)
-931.36397617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3287547068 (a.u.)
total exchange computation time: 2.9926939011 s
-153.9011667079
Anderson extrapolation: theta=0.2909070806 (0.2909070806)
-931.36398406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3287093753 (a.u.)
total exchange computation time: 2.9928910732 s
-153.9015977401
Anderson extrapolation: theta=1.6042868793 (1.6042868793)
-931.36398591
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3286525832 (a.u.)
total exchange computation time: 2.9925880432 s
-153.9021131169
Anderson extrapolation: theta=0.3581601329 (0.3581601329)
-931.36398788
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3286493913 (a.u.)
total exchange computation time: 2.9954559803 s
-153.9021221621
Anderson extrapolation: theta=1.0973456476 (1.0973456476)
-931.36398841
73.351212 67.969223 -295.100627
546.717812 1079.797770 -416.240322
620.069025 1147.766992 -711.340949
1485.887145
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1650405625
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3286589585 (a.u.)
total exchange computation time: 2.9930090904 s
678.20757365
-1082.30086756
89.83399919
-390.07535177
-174.70068326
77.46223736
551.60419304
0.00000000
-931.36398870
3.67900848 -31.34095086 -3.82953182
-0.00038503 0.00034052 0.00003238
0.00192149 -0.02493423 -0.00225703
-11.15877011 2.22971878 -9.33182617
-0.00000056 -0.00004320 -0.00010279
0.00730383 0.00137139 -0.00728514
-37.07025899 1.91213051 3.95478113
0.00017904 0.00018273 0.00011902
-0.02251824 -0.02525879 0.00455982
-7.72765246 -3.61989285 3.00972327
0.00005067 -0.00009804 -0.00028399
-0.00794586 0.01099441 -0.00032361
2.27953884 -0.06445513 9.69773711
0.00015064 0.00029923 -0.00009456
-0.01735136 0.01047933 0.00828797
-31.25956345 1.38035879 3.50721889
-0.00017768 0.00011518 -0.00007766
-0.00585333 0.03839472 -0.00694052
16.42999006 13.26541309 -17.69038172
0.00014420 -0.00023325 0.00004445
-0.00083114 -0.04302073 -0.02600319
-3.25480529 4.92605874 4.22128637
-0.00022609 -0.00019796 -0.00060863
-0.00954979 0.01844141 -0.00376335
4.82798335 17.37391830 -6.56110207
0.00009190 0.00012578 -0.00019000
0.03268061 -0.00490925 -0.02737351
8.29009330 7.28990001 -21.18806414
0.00005158 0.00053479 -0.00014763
-0.00806792 -0.01178818 -0.01708892
19.76539336 18.83625880 -5.36298915
0.00055291 -0.00005664 0.00007754
-0.00946855 0.01117188 0.02405343
2.02285893 14.68360161 -21.42606819
0.00007293 -0.00007625 0.00010265
0.03794115 0.00993102 -0.00375613
10.49500179 -5.54877585 0.07565170
0.00001488 -0.00001738 -0.00019569
0.03082121 0.02256420 0.02104537
-16.53168454 -5.54562808 4.84891661
0.00019362 -0.00006186 -0.00023285
-0.01831643 -0.00304126 -0.00358571
-14.23428282 -1.53853351 20.75480612
0.00009550 0.00004972 0.00000665
-0.00503246 0.01985053 -0.03034816
0.85883204 3.67068025 -4.78283921
-0.00044337 -0.00001294 -0.00018680
-0.00989420 -0.02327792 -0.00300951
20.94159452 -9.58493742 -4.17096210
-0.00033154 0.00008988 -0.00033407
-0.00928810 -0.01306378 0.02249344
2.77836909 -10.82863860 6.74712703
-0.00001728 -0.00007568 -0.00012132
0.05259951 -0.02816991 0.03912291
-1.79634167 -1.75959751 -19.43488652
-0.00020630 -0.00022157 0.00021913
-0.00740722 -0.02613018 -0.05388629
-0.61435374 5.11608281 -11.26474998
0.00005644 0.00024785 0.00014375
0.02783205 0.02205475 -0.02313415
-4.89150884 15.46934694 13.52655815
0.00007036 0.00001924 0.00038946
0.01427867 0.03542258 0.05932863
-4.96132926 3.07919503 -7.90587759
-0.00005240 0.00012494 -0.00045576
-0.01075425 -0.00719841 0.00080222
-8.65172204 0.10359604 -4.42859406
0.00010204 -0.00022601 0.00030360
0.04426777 -0.01364418 -0.03942431
2.95829411 27.85156377 5.71015257
0.00015401 -0.00020601 -0.00009245
0.00176314 0.00458294 -0.05761855
8.69752393 -9.61220338 -2.09649898
-0.00002256 0.00014295 0.00005020
-0.01467640 -0.01818743 -0.00546394
-6.32824640 1.39940572 9.89892867
0.00034858 0.00007150 0.00037073
0.01165482 -0.05080053 -0.00667615
19.74515585 9.57082079 6.02548408
0.00022868 -0.00006655 -0.00034741
0.01099389 0.01424841 0.03433673
-3.38670063 0.63106128 -24.28765610
-0.00012759 -0.00016219 -0.00004762
-0.05712049 0.00127851 -0.05895016
-13.63159546 8.43659862 9.47390712
-0.00004485 0.00009673 -0.00014485
0.00440133 0.01616175 -0.00701313
-13.81688468 5.76048090 -3.91797153
0.00027691 0.00003453 0.00011476
-0.00204383 0.01989019 -0.00849796
-3.80271823 -15.09518761 21.19245767
0.00007436 0.00012106 0.00021696
0.01255394 0.01004875 0.02117572
-6.30148517 8.55409446 -6.55779759
-0.00021222 0.00010660 0.00033031
0.00132554 -0.00779742 -0.00190436
-19.77495522 30.30399631 1.25439063
-0.00004331 0.00030341 0.00016562
-0.00913154 0.00596423 -0.00231547
10.31634261 3.62825613 8.15024404
-0.00017847 0.00002614 -0.00020216
-0.00881099 -0.01636046 -0.02392095
7.45671166 16.50428557 -11.74088712
-0.00016411 0.00003836 0.00000106
-0.01384418 0.02390978 0.00319168
14.05250255 4.53169080 -0.70786433
-0.00003439 -0.00018183 0.00051195
-0.02578661 -0.00438548 0.03916391
-5.66784847 11.86033181 -1.31508587
-0.00037924 0.00000463 -0.00000013
-0.04782151 0.01605756 0.05856699
8.30731183 11.54443320 4.93731648
0.00030643 -0.00059511 -0.00010286
0.00672694 -0.05868228 0.01335127
19.85711756 -11.18144297 -10.49860051
0.00000461 0.00014732 -0.00033512
0.01669737 0.01520210 -0.02823519
19.21462394 -5.85214046 -0.22053836
0.00016900 0.00018488 0.00013999
-0.01556539 -0.02380190 0.02434381
15.95207466 7.62059493 9.60516109
-0.00017993 -0.00015682 0.00007492
-0.00831406 0.01752769 0.00090258
3.85679802 -14.59969142 16.57981730
-0.00008997 -0.00020665 -0.00010876
-0.01816043 0.03273660 0.01892868
-3.63839286 -2.53081630 -13.89399017
-0.00037867 -0.00020480 -0.00034969
0.02737206 0.01539573 0.00566921
16.22783933 -6.55170116 -13.24798744
0.00025157 0.00042772 0.00030655
-0.00108149 -0.02747316 -0.00195727
10.59180746 -4.40677572 6.47615830
-0.00018358 -0.00024285 0.00024738
-0.00474931 -0.00069664 -0.01237710
-19.52479509 0.82630841 25.08450757
-0.00000528 0.00017871 0.00036022
-0.02636114 -0.00268006 -0.01047290
24.05844715 -0.75696495 -7.45328828
-0.00009501 0.00009331 0.00010063
-0.00959115 0.00617981 -0.02200854
11.49087417 -9.75737210 -11.22477473
0.00003643 0.00009359 0.00007215
0.02301559 0.00013598 0.01139208
-9.72358982 -9.94738108 16.64377394
0.00008754 -0.00004077 0.00029910
0.01196639 0.01240014 0.01000421
7.36047923 0.18878230 -28.58270152
0.00005780 -0.00041216 -0.00008120
-0.00027663 -0.00075557 -0.00609267
12.58082700 17.76873329 12.24671882
-0.00002606 0.00010491 0.00009135
0.01637841 0.02149524 -0.00913505
25.92688503 7.42188183 -11.14548004
0.00019069 0.00025927 -0.00010043
0.02123018 0.00770268 0.00290740
3.67530741 -29.86296223 -4.88334118
0.00048042 0.00049353 -0.00009153
0.00943959 0.01719338 -0.00669485
3.37903201 -30.76520702 -2.11077148
-0.00012960 0.00043543 -0.00063618
-0.00076832 0.01201258 0.00950730
-9.68626579 3.22233471 -8.78528875
-0.00035429 -0.00113585 -0.00052537
-0.01525908 -0.01082475 -0.00629453
-11.54870937 2.63890577 -11.13750857
-0.00026026 -0.00011092 0.00068305
0.00558946 0.00402035 0.01100149
-36.89904577 3.45025468 3.07752661
0.00070636 -0.00008742 -0.00032340
-0.00199868 0.02767539 -0.01306890
-38.96717684 1.47067375 3.70003551
0.00060086 0.00042624 0.00084251
0.03957192 0.00111703 0.00592471
-9.03268294 -3.93765091 1.72815261
-0.00064295 -0.00090378 0.00080706
0.00626413 -0.01206835 0.00178700
-6.29304038 -4.66473425 2.64266673
0.00011796 -0.00012270 -0.00001284
-0.00077178 -0.00738204 -0.00278385
3.43624009 -1.25894742 9.07473566
0.00053127 -0.00078080 -0.00055921
0.01764446 -0.01552342 -0.01466483
1.86706476 1.07139001 8.33012007
-0.00072260 -0.00079691 0.00029151
0.00134468 0.00185665 0.00118636
-30.85069313 -0.33938122 3.80188935
0.00019162 -0.00058428 0.00030297
0.00331073 -0.02605839 -0.00075336
-33.07218615 1.55875574 3.25025125
0.00023637 -0.00065493 0.00098307
0.00530796 -0.01136721 0.00587782
15.49138424 11.77480051 -18.65206556
-0.00009752 0.00039619 -0.00046863
0.01250708 0.04395322 0.03251588
17.96594796 12.26902905 -17.26185728
0.00037717 -0.00000799 0.00002133
-0.01143603 0.00923463 -0.00035056
-2.85246365 6.52608409 5.14923758
0.00077279 0.00019346 -0.00037273
0.00207929 -0.01661038 -0.00986566
-3.82990540 5.64398949 2.60747504
0.00039145 0.00021423 0.00024894
0.01095246 -0.00797264 0.00979022
5.88719172 16.80341025 -8.11352489
0.00036407 0.00048242 -0.00038933
-0.02421489 0.02074027 0.03175211
5.78306155 18.80499575 -5.79623706
-0.00127937 -0.00101186 0.00059417
-0.00695131 -0.01977571 -0.01320378
8.91462985 6.41730359 -22.71332478
0.00104288 -0.00025361 0.00064208
-0.01127843 0.00832630 0.00512920
9.66004651 7.42159143 -20.00952246
-0.00035871 -0.00006688 -0.00064041
0.00988027 0.00777627 0.00744239
19.57803667 20.18421368 -4.01958497
0.00070680 0.00032790 -0.00149716
-0.00093688 -0.01276939 -0.02121740
20.86320445 19.61221566 -6.58067259
0.00023971 0.00010093 0.00098035
0.00685792 0.00682231 -0.00332154
1.97435901 13.00021304 -20.80451487
-0.00075621 0.00003126 0.00030035
-0.01342073 -0.00830977 0.01036106
0.42540859 15.34129972 -21.92979338
-0.00059803 -0.00055904 -0.00014164
-0.02708981 -0.00373353 -0.00070015
9.81352081 -7.09959486 -0.45539082
0.00010984 0.00057691 0.00020704
-0.01231964 -0.02529875 -0.01136710
9.27740556 -4.28846230 -0.36440002
0.00025623 -0.00044386 0.00022101
-0.01057957 0.01417456 -0.00576079
-17.00666613 -6.52479070 6.34747175
-0.00036814 -0.00023537 -0.00052571
-0.00225608 0.01143828 -0.01062710
-18.06104699 -5.33355219 3.78086913
0.00018408 0.00015944 0.00072048
0.01908450 -0.01011034 0.01474301
-14.26625959 -0.93204370 18.91987661
0.00007120 -0.00013444 0.00067954
-0.00331645 -0.00438979 0.03918062
-15.04435808 -0.26661154 21.82080335
-0.00006320 0.00004959 -0.00105174
0.00437562 -0.00780011 -0.00941283
-0.16941821 2.91437530 -3.46957684
-0.00024496 -0.00008964 0.00100904
-0.00121144 0.00736004 0.00198500
0.88994834 2.22008308 -5.97075476
0.00064363 0.00007168 -0.00045050
0.00757824 0.01397197 0.00757096
20.06818008 -9.10280025 -5.66382541
-0.00084455 0.00011578 -0.00077882
0.00966414 0.00596282 -0.01621320
22.79304437 -9.47900082 -4.18870789
0.00097812 0.00057698 0.00060939
-0.01010988 0.00321175 -0.01518704
4.69149863 -11.29361960 6.56389263
-0.00070568 0.00035343 0.00048161
-0.05495021 0.01349636 -0.00476023
2.51258154 -11.57732107 8.49588621
-0.00014121 0.00048821 0.00016367
0.00363397 0.01683782 -0.03195778
-2.71037004 -3.13934026 -20.51378752
0.00014716 0.00001002 0.00002987
0.02322978 0.02771297 0.03725813
-2.64812832 -1.38632569 -17.90892985
-0.00056187 -0.00010667 0.00014267
-0.01588582 -0.00396425 0.01473927
1.22954466 5.72933881 -11.41401476
0.00031952 0.00047996 -0.00079779
-0.03969012 -0.01866606 0.01496940
-0.92470486 4.26580341 -9.70765072
-0.00045011 0.00080769 -0.00109924
0.00155091 -0.00236744 0.01102682
-4.05578733 16.67196870 14.86970067
-0.00039748 0.00071693 -0.00044091
-0.01503423 -0.02998575 -0.03449094
-6.64914063 15.99833971 13.78466900
0.00000519 0.00057040 -0.00052359
0.00531163 -0.00592988 -0.00405467
-5.47957673 2.07308484 -6.45223718
0.00062480 0.00028495 -0.00051188
0.00190816 0.00263218 -0.01184366
-5.59726722 2.18033289 -9.47828529
0.00062280 -0.00061423 -0.00020667
0.00952066 0.01197670 0.01666018
-9.36149348 -1.53112129 -4.34292862
0.00077978 0.00014697 -0.00060784
-0.01144009 -0.01262192 0.00812086
-9.33631339 1.19298865 -3.26531782
-0.00014374 -0.00066941 0.00044245
-0.02869930 0.02922956 0.03789085
2.42816536 29.12557414 4.33337457
-0.00010605 -0.00000454 -0.00012568
0.00728153 -0.02622381 0.04121015
2.53270772 28.31338341 7.37088449
-0.00091588 -0.00088695 -0.00021170
-0.00897931 0.01529143 0.01277915
7.23521979 -10.13986136 -3.11111183
-0.00144039 0.00054666 -0.00043900
0.00378091 0.01235636 0.00964115
8.85139659 -10.95431956 -0.86283462
0.00064972 -0.00026741 0.00012944
0.00189530 -0.00501340 0.00118255
-5.46839781 -0.36871217 9.62865102
-0.00050241 0.00025130 0.00009463
0.00408419 0.03620608 -0.00631443
-8.01689125 0.75230076 9.98910243
-0.00000169 -0.00019595 -0.00028140
-0.01621845 0.00848348 0.00206299
19.30783842 9.55510392 7.87116646
-0.00028774 0.00057160 -0.00070861
0.00038279 -0.00118826 -0.02623199
21.45380888 10.29758850 6.03366578
-0.00116935 -0.00093374 0.00019851
-0.00364406 -0.00713449 -0.00473219
-2.93166865 0.51265840 -22.61628008
-0.00021948 0.00058162 0.00088479
0.01172310 -0.00611255 0.05920985
-5.32442072 0.58768547 -24.37303602
0.00079823 -0.00057091 -0.00063125
0.04563553 0.00042737 0.00059264
-12.76189560 9.53237782 10.66937486
-0.00038570 0.00015112 -0.00007035
0.00175234 -0.00462340 0.00007085
-13.45252415 9.56268427 7.98806148
-0.00047930 -0.00014765 0.00026685
-0.00879057 -0.00993646 0.00074748
-13.77429321 4.23503953 -4.85528891
0.00001793 -0.00085487 -0.00082560
0.00510951 -0.02101682 -0.00578830
-14.95118968 6.78696504 -4.98704204
-0.00013373 -0.00064750 -0.00007140
0.00152661 -0.00619394 0.01788545
-5.29970874 -16.11713766 21.26958576
-0.00024077 0.00013933 -0.00070558
-0.01664511 -0.00861048 -0.00675071
-3.01616513 -15.42863482 19.62178435
0.00001141 0.00031448 0.00028125
0.00495527 -0.00246936 -0.01645707
-6.52629170 6.71424941 -6.57019693
-0.00000647 0.00060290 -0.00021409
0.00220615 0.01438589 0.00498518
-7.45001672 9.38179795 -5.35528656
-0.00131786 -0.00014531 -0.00010969
0.00232271 -0.01028118 -0.01369241
-20.74975039 31.05512866 -0.08930736
-0.00062185 -0.00037248 0.00075616
-0.00157307 -0.00430276 0.00290275
-18.03420538 30.66549510 0.93287951
0.00085269 -0.00058335 -0.00090139
0.01329177 -0.00197926 -0.00251794
9.12745832 3.05245356 6.79336131
0.00025268 0.00062907 0.00104266
0.01009588 -0.00143694 0.01541396
9.87549207 5.36773341 8.38654552
-0.00066699 0.00115184 0.00020213
-0.00562110 0.01780724 0.00687897
8.52126064 17.89141944 -12.40959842
-0.00003896 0.00031011 0.00040624
-0.00718069 -0.02396649 0.00379421
8.61536728 15.21607538 -11.24029985
-0.00000155 -0.00031538 -0.00021415
0.01308501 -0.00625182 -0.00004914
12.72312176 5.59302864 0.15125494
0.00044222 -0.00017537 -0.00067240
0.02842318 -0.00902403 -0.02100916
14.34459005 3.36914534 0.76350394
0.00049604 -0.00094900 0.00057449
-0.00328772 0.00495964 -0.01609085
-4.64286712 11.73926087 -2.69597049
-0.00060259 0.00009119 0.00044400
0.04395589 -0.01400366 -0.04478410
-5.51225676 10.29470369 -0.33892200
0.00055298 -0.00046968 -0.00124802
0.00575186 0.00778328 -0.01554062
7.87043820 13.20147592 4.75322848
-0.00038853 -0.00105090 0.00013568
-0.01668986 0.06583495 -0.00744063
10.07923449 11.41783161 4.53371321
0.00007058 -0.00028126 0.00019330
0.00767603 -0.00528877 -0.00252312
18.72756469 -11.29020892 -9.13996252
0.00067878 0.00110881 0.00059645
-0.02044987 -0.00278385 0.02586678
20.61868231 -12.80773592 -10.63327892
0.00052089 -0.00111595 0.00025887
0.00655709 -0.01729131 0.00422085
18.86957419 -5.08919934 -1.78139240
0.00026372 0.00074979 0.00037748
0.00198116 0.01183967 -0.03154356
18.13582695 -7.42774539 -0.33282655
0.00028405 0.00030478 0.00028082
0.01212070 0.00980914 0.00738747
15.13111005 9.25935202 9.32857427
-0.00043075 -0.00069591 0.00005442
0.00504627 -0.01540732 0.00339467
16.56720088 7.65068542 11.32684993
0.00007898 0.00065331 -0.00042899
-0.00318429 -0.00033373 -0.00137765
2.64496763 -15.69392020 17.47987442
0.00003617 0.00041518 0.00108170
0.00942520 -0.00879268 -0.01450287
3.38733924 -12.91764086 17.30123487
-0.00099054 -0.00022619 0.00054123
0.01288296 -0.01665899 -0.01810192
-4.09273168 -4.32241148 -13.60364158
-0.00056415 0.00028376 -0.00036658
-0.00633148 0.00276291 0.00012001
-1.87731363 -2.29281822 -13.35260500
-0.00064155 0.00011687 -0.00012861
-0.01659127 -0.00146231 -0.00419657
16.04060000 -7.39510270 -14.92928120
-0.00021785 0.00043184 0.00009972
0.00242410 -0.00262602 0.00366775
17.18949667 -7.67798176 -12.09020384
0.00015497 0.00059000 0.00030693
-0.01082520 0.01441384 -0.01180143
9.57069067 -4.45896592 4.94049504
-0.00075896 0.00062871 0.00110913
-0.00719051 0.00036448 0.01274922
12.22432461 -4.69029185 5.73193629
0.00101718 0.00059822 0.00028362
0.01270534 0.00367981 0.00051372
-21.14230138 0.05806562 24.53494484
-0.00056954 -0.00024177 -0.00018662
0.01608146 -0.01169284 0.00776886
-20.13980298 2.47920432 25.49204821
-0.00008440 -0.00006184 -0.00113805
0.00198823 0.01827154 0.00907872
24.58186089 -2.49009129 -7.19475300
-0.00014901 -0.00011891 0.00043696
0.00981441 -0.00609846 0.00493211
24.12049697 -0.57021874 -9.32375704
-0.00011772 -0.00056760 0.00073292
-0.00247050 0.00542687 0.01148036
12.54285464 -10.28015708 -9.75524709
-0.00014233 -0.00034527 0.00069598
-0.01201040 0.01449381 -0.01437051
12.46438375 -8.43826800 -12.11628008
0.00022464 0.00028895 -0.00015437
-0.00889967 -0.01502004 0.00934898
-9.37959697 -9.10042571 18.25835439
-0.00002201 -0.00005554 0.00026025
0.00352769 -0.00895324 -0.01202247
-11.52437373 -9.87104394 16.65042635
-0.00095885 0.00148995 0.00060385
-0.00890249 -0.00279783 0.00079005
8.39067276 0.41224657 -30.10434627
-0.00037678 -0.00074120 -0.00009703
0.00829760 0.00479786 0.01081997
5.73363623 0.84706890 -29.06700112
-0.00038822 -0.00055480 -0.00082624
-0.00835678 -0.00291290 0.00374837
12.45332172 19.64021451 12.51055468
0.00005564 -0.00022623 0.00004447
0.00833551 -0.03295510 -0.01018228
13.85657330 17.33490519 10.87715912
-0.00080793 -0.00016542 -0.00101176
-0.02066399 0.01885571 0.01982526
27.74098734 7.71240653 -11.56433727
-0.00031082 0.00002412 0.00050347
-0.01046394 -0.00336628 -0.00857017
25.96400506 7.35286841 -9.31117672
-0.00052262 -0.00080589 -0.00037570
-0.00622861 0.00325651 0.00762777
-7.13405971 4.58489233 6.69141499
0.00028256 -0.00008193 -0.00005164
-0.00102575 -0.00644335 -0.00508369
-8.95086890 8.74071028 3.87543249
0.00022731 -0.00008820 0.00002137
-0.00121591 -0.00693261 -0.00409439
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07977872
0.28420998
378.69554500
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3347373995 (a.u.)
total exchange computation time: 3.0607888699 s
-153.9232866175
-931.36986568
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3348999263 (a.u.)
total exchange computation time: 3.0570018291 s
-153.9231347319
Anderson extrapolation: theta=1.3638168911 (1.3638168911)
-931.37009890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3350749779 (a.u.)
total exchange computation time: 3.0577161312 s
-153.9234412472
Anderson extrapolation: theta=0.0572019144 (0.0572019144)
-931.37024220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3350448215 (a.u.)
total exchange computation time: 3.0586450100 s
-153.9239281885
Anderson extrapolation: theta=2.0976324060 (2.0000000000)
-931.37024868
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3349728292 (a.u.)
total exchange computation time: 3.0582709312 s
-153.9249928692
Anderson extrapolation: theta=0.2926416068 (0.2926416068)
-931.37025647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3349528903 (a.u.)
total exchange computation time: 3.0595450401 s
-153.9252685668
Anderson extrapolation: theta=1.5350492429 (1.5350492429)
-931.37025828
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3349376886 (a.u.)
total exchange computation time: 3.0568280220 s
-153.9255194457
Anderson extrapolation: theta=0.3611096971 (0.3611096971)
-931.37026018
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3349470610 (a.u.)
total exchange computation time: 3.0571489334 s
-153.9254499878
Anderson extrapolation: theta=1.0799704922 (1.0799704922)
-931.37026072
73.388323 67.919221 -295.071259
546.655903 1079.810278 -416.240182
620.044226 1147.729499 -711.311442
1485.833709
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3349668266 (a.u.)
total exchange computation time: 3.0569608212 s
678.29123197
-1082.48678112
89.82850188
-389.95196582
-174.71628113
77.56427523
551.60419304
0.00000000
-931.37026104
3.67324050 -31.33593928 -3.82905476
-0.00038391 0.00032781 0.00002992
0.00241960 -0.02449024 -0.00731644
-11.15875038 2.22907609 -9.33339618
0.00000194 -0.00004370 -0.00010612
0.00242389 -0.00333674 -0.00566518
-37.06766021 1.91477396 3.95658397
0.00016807 0.00017004 0.00012139
-0.02015613 -0.02407795 0.00468400
-7.72692307 -3.62132098 3.00546212
0.00004673 -0.00009232 -0.00028383
-0.00737901 0.01121773 0.00097536
2.28173151 -0.05992632 9.69635067
0.00014388 0.00030177 -0.00008994
-0.00895006 -0.00060485 0.00969357
-31.26225117 1.38223465 3.50602716
-0.00017906 0.00013278 -0.00008069
0.00045883 0.03002052 -0.00482749
16.43214992 13.26174834 -17.68981524
0.00014388 -0.00025496 0.00003123
-0.00042152 -0.04140414 -0.02541466
-3.25823354 4.92316051 4.21214247
-0.00023021 -0.00018812 -0.00060882
-0.00645428 0.01982470 0.00300548
4.82948794 17.37578611 -6.56405763
0.00010754 0.00012158 -0.00020488
0.02813037 -0.01142307 -0.03050505
8.29083593 7.29787634 -21.19034444
0.00004683 0.00052845 -0.00015742
-0.01041838 -0.01284432 -0.02100044
19.77365045 18.83545222 -5.36173333
0.00054750 -0.00005188 0.00008999
-0.01156078 0.00736097 0.02435896
2.02409919 14.68249623 -21.42454288
0.00009115 -0.00007087 0.00010041
0.03290645 0.01097054 -0.00495642
10.49534389 -5.54894951 0.07279747
0.00003193 -0.00000524 -0.00018425
0.03546688 0.02465214 0.02346103
-16.52885087 -5.54656772 4.84541007
0.00018468 -0.00006360 -0.00023408
-0.01644542 -0.00371257 -0.00119074
-14.23286976 -1.53771114 20.75478883
0.00009326 0.00005912 -0.00000871
-0.00368536 0.01671915 -0.02936885
0.85214335 3.67039628 -4.78565284
-0.00044904 -0.00002529 -0.00018732
-0.01216644 -0.02472800 0.00097810
20.93658553 -9.58363960 -4.17588642
-0.00033504 0.00008356 -0.00032346
-0.00429665 -0.01151900 0.01879028
2.77831286 -10.82988246 6.74545810
0.00000880 -0.00008981 -0.00010098
0.04880488 -0.02679417 0.03997754
-1.79946474 -1.76302189 -19.43180743
-0.00021006 -0.00023460 0.00019194
-0.00723331 -0.02452763 -0.05183209
-0.61339971 5.11988565 -11.26268290
0.00007144 0.00026073 0.00012919
0.03047755 0.02803606 -0.03349588
-4.89039829 15.46977217 13.53262894
0.00007735 0.00003741 0.00041957
0.01287710 0.03523787 0.05774398
-4.96215681 3.08104140 -7.91271084
-0.00005762 0.00012155 -0.00045566
-0.00953047 -0.00598040 -0.00043158
-8.65002064 0.10015327 -4.42419217
0.00012536 -0.00023156 0.00028329
0.04641708 -0.00794517 -0.03955670
2.96061111 27.84849128 5.70854354
0.00015489 -0.00020344 -0.00012207
0.00164385 0.00543375 -0.05756179
8.69712892 -9.61012933 -2.09576708
-0.00003161 0.00013276 0.00004670
-0.02051395 -0.02141242 -0.00812173
-6.32297278 1.40028231 9.90446392
0.00035342 0.00004535 0.00036718
0.00718185 -0.05089805 -0.00713575
19.74862846 9.56987755 6.02040532
0.00023175 -0.00006034 -0.00033005
0.00094304 0.00988903 0.03320107
-3.38883480 0.62863333 -24.28859780
-0.00015488 -0.00016174 -0.00007547
-0.04902434 0.00048843 -0.04936097
-13.63225128 8.43811184 9.47170728
-0.00004276 0.00010443 -0.00014783
0.00375663 0.01378803 -0.00455772
-13.81273896 5.76107557 -3.91628289
0.00027590 0.00004222 0.00010886
-0.00185612 0.01000370 -0.01443669
-3.80155435 -15.09333293 21.19579375
0.00008027 0.00012591 0.00022791
0.01043028 0.00880921 0.02142416
-6.30466344 8.55566330 -6.55285027
-0.00021175 0.00010373 0.00032964
0.00052846 -0.00334459 -0.00071535
-19.77564003 30.30857049 1.25686603
-0.00004579 0.00030640 0.00016485
-0.00054011 0.00565126 -0.00069547
10.31363152 3.62858514 8.14711935
-0.00018235 0.00002087 -0.00021255
-0.00625652 -0.00414794 -0.01647685
7.45419662 16.50495320 -11.74085886
-0.00017076 0.00005027 0.00000294
-0.01201508 0.02242259 0.00411369
14.05188728 4.52894647 -0.70003407
-0.00004637 -0.00018533 0.00053171
-0.02079708 -0.00924112 0.03768918
-5.67372150 11.86046326 -1.31486196
-0.00040420 0.00001294 0.00003048
-0.04926341 0.01622814 0.06048424
8.31193418 11.53528017 4.93582503
0.00030938 -0.00062560 -0.00009580
0.00477313 -0.05987683 0.01410407
19.85725108 -11.17917455 -10.50373626
0.00001392 0.00015260 -0.00034947
0.01953498 0.00532991 -0.02755429
19.21709885 -5.84945899 -0.21834468
0.00016115 0.00017290 0.00015239
-0.01494151 -0.02279922 0.02390847
15.94934358 7.61831026 9.60628839
-0.00018416 -0.00014836 0.00007488
-0.00810774 0.01537990 -0.00107456
3.85537840 -14.60266494 16.57825886
-0.00009985 -0.00018935 -0.00009836
-0.02026300 0.03455925 0.02151527
-3.64396731 -2.53382893 -13.89921369
-0.00036473 -0.00019609 -0.00034701
0.02683684 0.01848672 0.00476972
16.23160865 -6.54539127 -13.24339677
0.00025059 0.00041359 0.00030498
-0.00271233 -0.02747620 -0.00413837
10.58903540 -4.41042115 6.47982125
-0.00018389 -0.00024335 0.00024130
0.00355889 -0.00126355 -0.01124803
-19.52497599 0.82897876 25.08987051
-0.00001966 0.00017576 0.00035413
-0.02953775 -0.00879883 -0.01323177
24.05698495 -0.75554152 -7.45186371
-0.00009977 0.00009582 0.00009044
-0.00889415 0.00359654 -0.01762024
11.49150947 -9.75596775 -11.22364853
0.00004874 0.00009376 0.00007829
0.02482020 0.00053072 0.01249708
-9.72223052 -9.94794474 16.64829904
0.00009121 -0.00003431 0.00030411
0.00229168 0.01272342 0.00945563
7.36134513 0.18259698 -28.58394297
0.00005638 -0.00041210 -0.00008439
-0.00523316 0.00099501 -0.00633995
12.58049922 17.77038985 12.24805385
-0.00001741 0.00011521 0.00008627
0.01727715 0.01855818 -0.01062215
25.92982720 7.42580053 -11.14697530
0.00020050 0.00026301 -0.00009905
0.01692162 0.00687044 0.00245788
3.68280291 -29.85503238 -4.88491929
0.00051893 0.00056090 -0.00011766
0.00941107 0.01578416 -0.00609692
3.37706452 -30.75830746 -2.12002284
-0.00013380 0.00048673 -0.00058770
-0.00129171 0.01309818 0.01422437
-9.69204774 3.20496530 -8.79336224
-0.00040490 -0.00117186 -0.00054659
-0.00951428 -0.00680543 -0.00408896
-11.55244194 2.63736521 -11.12692569
-0.00023873 -0.00009284 0.00072042
0.00494862 0.00482671 0.00729351
-36.88851154 3.44979138 3.07227514
0.00069749 0.00002333 -0.00037570
-0.00234716 0.02654097 -0.01253419
-38.95695134 1.47710159 3.71285476
0.00075796 0.00043061 0.00086522
0.03732871 0.00101979 0.00519094
-9.04213518 -3.95157736 1.74031327
-0.00061816 -0.00095348 0.00081213
0.00587100 -0.01226278 0.00069251
-6.29129469 -4.66680091 2.64238876
0.00011412 -0.00015278 -0.00002449
-0.00110407 -0.00734536 -0.00291924
3.44474979 -1.27113506 9.06589808
0.00058857 -0.00082892 -0.00061189
0.01040477 -0.00803463 -0.01111850
1.85626698 1.05949327 8.33452910
-0.00071940 -0.00078201 0.00028627
0.00022274 0.00543746 -0.00375434
-30.84771733 -0.34894392 3.80641089
0.00020267 -0.00067625 0.00029723
0.00209896 -0.01896327 -0.00205898
-33.06847802 1.54858340 3.26517736
0.00024820 -0.00069917 0.00100532
0.00048343 -0.01028621 0.00501513
15.49030467 11.78209024 -18.65809857
-0.00004594 0.00057347 -0.00033584
0.01274148 0.04282373 0.03248443
17.97125502 12.26919222 -17.26154811
0.00032885 0.00002944 0.00001896
-0.01221711 0.00908517 -0.00081066
-2.84080806 6.52847699 5.14334434
0.00077899 0.00011919 -0.00041575
0.00095587 -0.01974602 -0.01119617
-3.82369802 5.64695865 2.61150910
0.00043182 0.00018531 0.00027810
0.00881008 -0.00618344 0.00448314
5.89191080 16.81128210 -8.11839183
0.00026502 0.00056752 -0.00025887
-0.02427140 0.02091547 0.03210690
5.76365798 18.78921192 -5.78772911
-0.00129817 -0.00108024 0.00054622
-0.00224998 -0.01370086 -0.01026849
8.92992743 6.41375457 -22.70353638
0.00099423 -0.00021877 0.00066219
-0.01253767 0.00872769 0.00471217
9.65496869 7.42082656 -20.01890062
-0.00031122 -0.00003338 -0.00060104
0.01336320 0.00861941 0.01183031
19.58861001 20.18874086 -4.04269246
0.00070023 0.00028045 -0.00157397
-0.00228085 -0.01045837 -0.01638411
20.86701027 19.61393867 -6.56606912
0.00027503 0.00013151 0.00095671
0.01043028 0.00814721 -0.00825161
1.96260462 13.00042729 -20.79969207
-0.00080929 -0.00000298 0.00034263
-0.01256452 -0.00845181 0.01033554
0.41560804 15.33279966 -21.93193947
-0.00070029 -0.00057580 -0.00014233
-0.02296528 -0.00447120 0.00036291
9.81479097 -7.09171650 -0.45263356
0.00005553 0.00046290 0.00015770
-0.01426854 -0.03050661 -0.01278694
9.28092482 -4.29468583 -0.36126135
0.00020776 -0.00037983 0.00019583
-0.01314588 0.01716953 -0.00656492
-17.01225736 -6.52797067 6.33926046
-0.00037585 -0.00018890 -0.00056801
-0.00151897 0.01130894 -0.01007706
-18.05770103 -5.33147038 3.79212815
0.00025668 0.00011985 0.00077474
0.01645567 -0.00926746 0.01181534
-14.26529324 -0.93419479 18.93127035
0.00005832 -0.00015127 0.00083146
-0.00298732 -0.00385158 0.03518337
-15.04517206 -0.26610677 21.80473887
-0.00004885 0.00002273 -0.00108389
0.00265093 -0.00534510 -0.00632865
-0.17312980 2.91325629 -3.45438036
-0.00024332 -0.00005670 0.00100623
0.00201518 0.00876417 -0.00336252
0.89983503 2.22158637 -5.97728032
0.00067240 0.00012911 -0.00041649
0.00650351 0.01414330 0.00908030
20.05580796 -9.10088081 -5.67600447
-0.00079879 0.00013766 -0.00083577
0.01273802 0.00474729 -0.01166695
22.80740635 -9.47024767 -4.18003247
0.00092046 0.00058935 0.00054573
-0.01811344 0.00284222 -0.01597535
4.67922964 -11.28790459 6.57097085
-0.00092197 0.00040613 0.00046054
-0.05092629 0.01229878 -0.00555278
2.51057481 -11.56948192 8.49736202
-0.00012687 0.00055663 0.00003304
0.00338265 0.01665385 -0.03198995
-2.70745077 -3.13834082 -20.51219776
0.00024036 0.00012117 0.00018081
0.02239202 0.02669695 0.03662886
-2.65704316 -1.38804720 -17.90633821
-0.00062510 -0.00012358 0.00020006
-0.01506570 -0.00431397 0.01335365
1.23312129 5.73596624 -11.42552294
0.00015485 0.00040205 -0.00073428
-0.04092125 -0.01947000 0.01612245
-0.93140896 4.27784625 -9.72380146
-0.00044619 0.00078785 -0.00103508
0.00036531 -0.00734356 0.02038176
-4.06221024 16.68180379 14.86203018
-0.00045666 0.00059513 -0.00057892
-0.01393407 -0.02963435 -0.03306752
-6.64890005 16.00671399 13.77669089
0.00002750 0.00054542 -0.00054023
0.00560919 -0.00629728 -0.00409036
-5.47014619 2.07743982 -6.46027834
0.00063121 0.00029334 -0.00055590
0.00122988 0.00147171 -0.00970098
-5.58763352 2.17148645 -9.48087477
0.00066065 -0.00056482 -0.00013937
0.00900932 0.01221141 0.01628341
-9.35014730 -1.52930348 -4.35179735
0.00072832 0.00008497 -0.00057413
-0.01375244 -0.01773024 0.00837923
-9.33934900 1.18384320 -3.25751992
-0.00026068 -0.00055128 0.00059665
-0.02854158 0.02859492 0.03759142
2.42679768 29.12470247 4.33275218
-0.00007571 -0.00011252 0.00004309
0.00757157 -0.02663200 0.04140571
2.51869443 28.30054773 7.36810055
-0.00095268 -0.00082486 -0.00016026
-0.00903592 0.01510256 0.01240020
7.21372983 -10.13128288 -3.11740142
-0.00141142 0.00059986 -0.00038911
0.01039685 0.01368826 0.01478309
8.86120051 -10.95848427 -0.86085672
0.00065530 -0.00028385 0.00012889
0.00083317 -0.00303391 -0.00145445
-5.47580876 -0.36383324 9.62987698
-0.00048249 0.00039583 0.00006859
0.00566582 0.03454290 -0.00643367
-8.01741355 0.74962149 9.98494460
-0.00006241 -0.00015796 -0.00027298
-0.01350656 0.01011476 0.00205812
19.30353408 9.56364157 7.85973343
-0.00028763 0.00056576 -0.00081197
-0.00032812 -0.00167288 -0.02436260
21.43615694 10.28336381 6.03649847
-0.00116220 -0.00095350 0.00017811
0.00714439 -0.00253852 -0.00525614
-2.93460161 0.52119538 -22.60119385
-0.00017741 0.00055822 0.00110681
0.00886899 -0.00533992 0.04947089
-5.31104880 0.57913486 -24.38248666
0.00097394 -0.00056880 -0.00062838
0.04037133 0.00060633 0.00081334
-12.76762735 9.53450289 10.66832173
-0.00037754 0.00013277 -0.00006931
0.00223950 -0.00435934 0.00043791
-13.45998308 9.56016500 7.99208707
-0.00051424 -0.00018415 0.00026388
-0.00830926 -0.00792754 -0.00220170
-13.77386764 4.22157253 -4.86785036
0.00003881 -0.00092255 -0.00083742
0.00510888 -0.01211465 0.00000505
-14.95314881 6.77706272 -4.98756500
-0.00012776 -0.00067087 0.00000173
0.00139250 -0.00524340 0.01791424
-5.30383036 -16.11531153 21.25879518
-0.00030608 0.00010623 -0.00073188
-0.01532641 -0.00759481 -0.00612261
-3.01584216 -15.42399329 19.62549875
0.00003302 0.00030478 0.00021243
0.00562260 -0.00228071 -0.01722874
-6.52632121 6.72373366 -6.57325553
0.00000126 0.00065382 -0.00019384
0.00157980 0.01054393 0.00492843
-7.46971345 9.37930330 -5.35735147
-0.00130568 -0.00018844 -0.00016785
0.00364081 -0.01083441 -0.01477942
-20.75912633 31.04940955 -0.07787598
-0.00063078 -0.00038702 0.00076276
-0.00279715 -0.00281470 0.00032851
-18.02100771 30.65668414 0.91928153
0.00089186 -0.00059385 -0.00090949
0.00588365 -0.00315878 -0.00144942
9.13155782 3.06184555 6.80947358
0.00028400 0.00061800 0.00109338
0.00523938 -0.00398171 0.00941254
9.86531503 5.38555672 8.38978822
-0.00068464 0.00120544 0.00022789
-0.00302121 0.00842806 0.00573231
8.52045622 17.89533667 -12.40338856
-0.00006877 0.00021131 0.00042187
-0.00741407 -0.02439526 0.00385798
8.61574497 15.21115312 -11.24351357
0.00004852 -0.00033707 -0.00021589
0.01142568 -0.00436665 -0.00080300
12.73062608 5.59012158 0.14052514
0.00055157 -0.00020797 -0.00075148
0.02510484 -0.00693303 -0.01770208
14.35192994 3.35506225 0.77162827
0.00047932 -0.00092275 0.00050459
-0.00489849 0.00789178 -0.01812586
-4.65055899 11.74019968 -2.69068284
-0.00041857 0.00003587 0.00025322
0.04612115 -0.01308048 -0.04860324
-5.50378578 10.28789699 -0.35811844
0.00057525 -0.00044025 -0.00130756
0.00514774 0.00662473 -0.01360914
7.86409879 13.18772988 4.75503567
-0.00045729 -0.00077963 0.00010480
-0.01696593 0.06695073 -0.00767657
10.08052844 11.41345059 4.53653535
0.00010645 -0.00030252 0.00018188
0.00988150 -0.00511759 -0.00306330
18.73711973 -11.27366200 -9.13022315
0.00059945 0.00109738 0.00069795
-0.01838476 -0.00281458 0.02381678
20.62669653 -12.82500502 -10.62926658
0.00053773 -0.00116697 0.00027810
0.00168929 -0.00768579 0.00519336
18.87359073 -5.07758968 -1.77669678
0.00027172 0.00079682 0.00025018
0.00193281 0.01118263 -0.03077251
18.14045906 -7.42287317 -0.32838783
0.00033233 0.00034377 0.00030984
0.01151299 0.00927941 0.00681520
15.12480340 9.24844127 9.32949460
-0.00041281 -0.00075366 0.00006666
0.00373696 -0.01286395 0.00259711
16.56828803 7.66047479 11.32037281
0.00006835 0.00065130 -0.00042902
-0.00202200 -0.00065010 0.00136625
2.64579906 -15.68796188 17.49565556
0.00007604 0.00037765 0.00102022
0.01008906 -0.00958010 -0.01559346
3.37287590 -12.92154413 17.30879859
-0.00093491 -0.00029694 0.00046390
0.01435004 -0.01797708 -0.01975200
-4.10138790 -4.31807049 -13.60913663
-0.00059019 0.00028992 -0.00036494
-0.00641864 0.00025321 0.00068295
-1.88744533 -2.29110995 -13.35466271
-0.00070698 0.00011051 -0.00014517
-0.01543612 -0.00165402 -0.00390901
16.03740659 -7.38870563 -14.92767307
-0.00020693 0.00042153 0.00011730
0.00291915 -0.00241732 0.00494144
17.19148953 -7.66869007 -12.08596148
0.00011198 0.00064699 0.00026000
-0.01022040 0.01348338 -0.01117389
9.55908593 -4.44952410 4.95752261
-0.00078926 0.00062914 0.00115514
-0.00764383 -0.00015382 0.00977553
12.23997159 -4.68120581 5.73620633
0.00105320 0.00061533 0.00028932
0.00492686 0.00469602 0.00227520
-21.15035164 0.05408076 24.53238353
-0.00049519 -0.00028536 -0.00015123
0.02031191 -0.00964447 0.00955822
-20.14100807 2.47883669 25.47525563
-0.00007854 0.00002016 -0.00109910
0.00088210 0.02186649 0.00998990
24.57992645 -2.49206176 -7.18804745
-0.00011003 -0.00014008 0.00045667
0.00926818 -0.00426747 0.00471698
24.11865549 -0.57856650 -9.31241146
-0.00012772 -0.00054395 0.00077086
-0.00242448 0.00614994 0.00709304
12.54035168 -10.28489194 -9.74524782
-0.00019374 -0.00028358 0.00063227
-0.01315577 0.01570218 -0.01681202
12.46748070 -8.43439402 -12.11830916
0.00018673 0.00022411 -0.00011336
-0.00966196 -0.01672135 0.01072676
-9.37981896 -9.10153312 18.26188971
-0.00000612 -0.00009155 0.00021271
0.00424880 -0.00867286 -0.01124656
-11.53902935 -9.84878047 16.65950839
-0.00097691 0.00147701 0.00060659
0.00006480 -0.00353371 0.00054751
8.38527529 0.40127560 -30.10547017
-0.00034046 -0.00072154 -0.00005553
0.00948393 0.00482707 0.00949260
5.72755692 0.83865761 -29.07927993
-0.00041483 -0.00056988 -0.00080797
-0.00467170 -0.00446644 0.00519522
12.45441169 19.63581118 12.51090975
0.00008921 -0.00035569 0.00000331
0.00809821 -0.03041306 -0.00996781
13.84382110 17.33300167 10.86259017
-0.00089323 -0.00008759 -0.00092794
-0.02109105 0.01924286 0.02120528
27.73600435 7.71266524 -11.55704786
-0.00034615 0.00001151 0.00046639
-0.00682884 -0.00280889 -0.00957744
25.95597487 7.34087992 -9.31657848
-0.00054762 -0.00079232 -0.00034133
-0.00600671 0.00338598 0.00919674
-7.12982400 4.58364608 6.69062680
0.00028216 -0.00008420 -0.00005347
-0.00121377 -0.00625835 -0.00515122
-8.94746139 8.73937517 3.87574586
0.00022702 -0.00008980 0.00002042
-0.00124490 -0.00686499 -0.00405262
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07990556
0.29035549
386.88412940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3427315960 (a.u.)
total exchange computation time: 3.0855889320 s
-153.9509496335
-931.37580947
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3428521243 (a.u.)
total exchange computation time: 3.0887100697 s
-153.9509721080
Anderson extrapolation: theta=1.3571864735 (1.3571864735)
-931.37603166
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3429409384 (a.u.)
total exchange computation time: 3.0837218761 s
-153.9516790939
Anderson extrapolation: theta=0.0550080333 (0.0550080333)
-931.37616711
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3428838181 (a.u.)
total exchange computation time: 3.0857331753 s
-153.9523089461
Anderson extrapolation: theta=2.0420317479 (2.0000000000)
-931.37617298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.3427495997 (a.u.)
total exchange computation time: 3.0851600170 s
-153.9537026323
Anderson extrapolation: theta=0.2656149039 (0.2656149039)
-931.37617998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3427099221 (a.u.)
total exchange computation time: 3.0854959488 s
-153.9540661286
Anderson extrapolation: theta=1.7524450078 (1.7524450078)
-931.37618160
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3426575821 (a.u.)
total exchange computation time: 3.0859980583 s
-153.9545158330
Anderson extrapolation: theta=0.3276156276 (0.3276156276)
-931.37618357
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.3426577768 (a.u.)
total exchange computation time: 3.0834372044 s
-153.9544849114
Anderson extrapolation: theta=1.1980066732 (1.1980066732)
-931.37618410
73.424925 67.873356 -295.033339
546.593876 1079.824033 -416.238761
620.018801 1147.697389 -711.272100
1485.779463
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3426701728 (a.u.)
total exchange computation time: 3.0874109268 s
678.39503138
-1082.71760334
89.82191882
-389.79768328
-174.73517791
77.69153392
551.60419304
0.00000000
-931.37618450
3.66749118 -31.33111663 -3.82863414
-0.00038254 0.00031549 0.00002487
0.00289554 -0.02340262 -0.01231334
-11.15871196 2.22840766 -9.33500989
0.00000180 -0.00004673 -0.00010859
-0.00297979 -0.00842861 -0.00393416
-37.06521692 1.91723165 3.95842294
0.00015856 0.00015827 0.00012370
-0.01683550 -0.02168832 0.00427518
-7.72625061 -3.62266256 3.00120850
0.00004312 -0.00008653 -0.00028301
-0.00666602 0.01129850 0.00217778
2.28385514 -0.05540217 9.69503902
0.00014143 0.00029864 -0.00008460
-0.00057088 -0.01155717 0.01107252
-31.26493534 1.38434211 3.50479819
-0.00017714 0.00014598 -0.00008262
0.00700707 0.02130254 -0.00266152
16.43430653 13.25776417 -17.68944482
0.00014378 -0.00027563 0.00001841
0.00003668 -0.03896415 -0.02445428
-3.26171158 4.92041523 4.20302175
-0.00023272 -0.00017776 -0.00060550
-0.00329607 0.02043339 0.00990171
4.83120955 17.37756579 -6.56724853
0.00012062 0.00011395 -0.00022133
0.02274566 -0.01827742 -0.03347311
8.29149818 7.30575358 -21.19278675
0.00004093 0.00052163 -0.00016907
-0.01251011 -0.01369759 -0.02428750
19.78181836 18.83470244 -5.36028959
0.00054108 -0.00004917 0.00010237
-0.01339939 0.00318791 0.02381718
2.02559331 14.68147549 -21.42305581
0.00010662 -0.00006506 0.00009756
0.02726633 0.01163344 -0.00613645
10.49595962 -5.54893299 0.07012424
0.00005111 0.00000778 -0.00017172
0.03913867 0.02598788 0.02527203
-16.52614407 -5.54753601 4.84189434
0.00017688 -0.00006566 -0.00023405
-0.01389520 -0.00431101 0.00128687
-14.23148512 -1.53675979 20.75454497
0.00009174 0.00006679 -0.00002334
-0.00220846 0.01308642 -0.02753332
0.84536080 3.66992155 -4.78845893
-0.00045581 -0.00003824 -0.00018581
-0.01416135 -0.02563585 0.00491382
20.93154339 -9.58243065 -4.18066578
-0.00033620 0.00007804 -0.00031477
-0.00023131 -0.00994252 0.01500115
2.77863314 -10.83133302 6.74409758
0.00003261 -0.00010308 -0.00008038
0.04376392 -0.02479832 0.04011877
-1.80264360 -1.76663549 -19.42912822
-0.00021375 -0.00024658 0.00016615
-0.00709339 -0.02207858 -0.04847520
-0.61221056 5.12390479 -11.26087424
0.00008759 0.00027656 0.00010943
0.03233524 0.03350333 -0.04334562
-4.88918840 15.47046926 13.53914521
0.00008354 0.00005532 0.00044867
0.01120043 0.03440972 0.05540771
-4.96305789 3.08284163 -7.91954742
-0.00006216 0.00011889 -0.00045619
-0.00810776 -0.00439173 -0.00160855
-8.64796115 0.09664921 -4.42009544
0.00014942 -0.00023394 0.00026339
0.04713035 -0.00130216 -0.03783606
2.96294080 27.84546071 5.70649045
0.00015569 -0.00020051 -0.00015121
0.00147565 0.00594624 -0.05576230
8.69657564 -9.60822047 -2.09509785
-0.00004344 0.00012102 0.00004200
-0.02549506 -0.02424336 -0.01017090
-6.31764375 1.40076624 9.90994411
0.00035586 0.00001930 0.00036340
0.00229653 -0.05040179 -0.00757243
19.75210835 9.56901060 6.01558270
0.00022948 -0.00005646 -0.00031346
-0.00977723 0.00521274 0.03128759
-3.39134717 0.62620915 -24.28992030
-0.00017755 -0.00016165 -0.00009790
-0.03911259 -0.00015000 -0.03784425
-13.63287812 8.43973144 9.46947227
-0.00004099 0.00011084 -0.00014950
0.00309184 0.01116379 -0.00195384
-13.80860756 5.76174742 -3.91470563
0.00027505 0.00004486 0.00010003
-0.00145611 0.00027139 -0.01992279
-3.80031001 -15.09141028 21.19929510
0.00008505 0.00013001 0.00023883
0.00814584 0.00711564 0.02100634
-6.30783762 8.55720635 -6.54790847
-0.00021162 0.00010321 0.00032953
-0.00003604 0.00134151 0.00029032
-19.77632900 30.31318826 1.25933607
-0.00004387 0.00030919 0.00016488
0.00800277 0.00521394 0.00083924
10.31087216 3.62888216 8.14386755
-0.00018471 0.00002183 -0.00021893
-0.00293553 0.00790390 -0.00835166
7.45158888 16.50579382 -11.74079887
-0.00017647 0.00006123 0.00000537
-0.01020818 0.02017004 0.00532223
14.05111157 4.52613086 -0.69191306
-0.00005560 -0.00019141 0.00055047
-0.01509232 -0.01438619 0.03527760
-5.67997458 11.86071989 -1.31417143
-0.00042939 0.00002131 0.00006131
-0.04867870 0.01635198 0.05940332
8.31659336 11.52566520 4.93444239
0.00031115 -0.00065585 -0.00008846
0.00210100 -0.05775017 0.01443678
19.85753531 -11.17686502 -10.50908458
0.00002441 0.00015292 -0.00036310
0.02125198 -0.00409600 -0.02544194
19.21945849 -5.84695342 -0.21596655
0.00015363 0.00016166 0.00016429
-0.01429708 -0.02091773 0.02236354
15.94654995 7.61614425 9.60740740
-0.00018821 -0.00014112 0.00007385
-0.00765708 0.01274717 -0.00291563
3.85380245 -14.60537185 16.57686641
-0.00011072 -0.00017128 -0.00008675
-0.02199844 0.03570774 0.02365967
-3.64933472 -2.53669895 -13.90440042
-0.00035120 -0.00018583 -0.00034485
0.02578615 0.02141718 0.00363864
16.23535704 -6.53929336 -13.23883803
0.00024871 0.00039956 0.00030222
-0.00460193 -0.02708815 -0.00658849
10.58629081 -4.41407633 6.48339743
-0.00017995 -0.00024413 0.00023589
0.01176803 -0.00174939 -0.00980875
-19.52538475 0.83158123 25.09513136
-0.00003556 0.00016989 0.00034672
-0.03231446 -0.01401986 -0.01556561
24.05545414 -0.75409035 -7.45057507
-0.00010412 0.00009697 0.00008265
-0.00802544 0.00088920 -0.01268698
11.49233625 -9.75455930 -11.22242592
0.00006178 0.00009408 0.00008494
0.02592139 0.00071461 0.01335538
-9.72085354 -9.94841024 16.65289710
0.00009000 -0.00002769 0.00030873
-0.00700471 0.01301691 0.00853443
7.36217066 0.17641934 -28.58523334
0.00005251 -0.00041120 -0.00008766
-0.00982448 0.00248215 -0.00636156
12.58030472 17.77218958 12.24930693
-0.00000838 0.00012381 0.00008049
0.01783382 0.01490331 -0.01183598
25.93289992 7.42977223 -11.14845159
0.00020800 0.00026633 -0.00009782
0.01225888 0.00601208 0.00232675
3.69087518 -29.84613518 -4.88687107
0.00055722 0.00062149 -0.00014067
0.00933440 0.01387267 -0.00516414
3.37501786 -30.75060515 -2.12840245
-0.00014006 0.00054217 -0.00052077
-0.00176885 0.01403958 0.01853853
-9.69841278 3.18717881 -8.80168633
-0.00043072 -0.00119079 -0.00055830
-0.00312471 -0.00246065 -0.00164480
-11.55587122 2.63612046 -11.11589582
-0.00022012 -0.00007135 0.00074194
0.00416282 0.00569584 0.00323845
-36.87812117 3.45095466 3.06625550
0.00068691 0.00012736 -0.00042458
-0.00283148 0.02438342 -0.01139141
-38.94443811 1.48359193 3.72599214
0.00090424 0.00043428 0.00088479
0.03427683 0.00077981 0.00438852
-9.05122762 -3.96625534 1.75251637
-0.00059508 -0.00100392 0.00081279
0.00542369 -0.01242679 -0.00036546
-6.28961666 -4.66931774 2.64193188
0.00010873 -0.00018247 -0.00003657
-0.00153849 -0.00718856 -0.00299285
3.45389716 -1.28381512 9.05637909
0.00061653 -0.00084647 -0.00065006
0.00328213 -0.00055276 -0.00756920
1.84548286 1.04792976 8.33870804
-0.00072095 -0.00075271 0.00026089
-0.00098249 0.00890351 -0.00866562
-30.84461290 -0.35966880 3.81080624
0.00020865 -0.00073859 0.00028595
0.00082566 -0.01155140 -0.00346460
-33.06474026 1.53778065 3.28041083
0.00023998 -0.00073897 0.00102414
-0.00450499 -0.00919601 0.00419783
15.49000598 11.79200448 -18.66214075
0.00000585 0.00074490 -0.00020419
0.01260944 0.04109627 0.03195659
17.97581334 12.26991219 -17.26128862
0.00027807 0.00006582 0.00001486
-0.01263962 0.00872263 -0.00119348
-2.82909390 6.52965973 5.13676494
0.00078075 0.00003315 -0.00046357
-0.00009336 -0.02236981 -0.01220799
-3.81695071 5.64954884 2.61581792
0.00046316 0.00016423 0.00028465
0.00653041 -0.00413495 -0.00127276
5.89514237 16.82043577 -8.12129105
0.00016669 0.00065268 -0.00012836
-0.02386481 0.02077450 0.03177906
5.74411652 18.77258841 -5.77985048
-0.00129702 -0.00112238 0.00051144
0.00280938 -0.00692693 -0.00675802
8.94445662 6.41074044 -22.69345918
0.00094074 -0.00018260 0.00068009
-0.01364582 0.00897641 0.00405213
9.65070984 7.42058995 -20.02755374
-0.00025028 0.00000344 -0.00054449
0.01646917 0.00940342 0.01585023
19.59904356 20.19262708 -4.06680408
0.00068796 0.00024362 -0.00163010
-0.00372285 -0.00756979 -0.01108957
20.87145532 19.61616098 -6.55197137
0.00032450 0.00016716 0.00091346
0.01378787 0.00930540 -0.01291986
1.95008021 13.00012356 -20.79423584
-0.00085871 -0.00003686 0.00038445
-0.01162601 -0.00813183 0.01013197
0.40440002 15.32402559 -21.93406330
-0.00078464 -0.00059575 -0.00013841
-0.01832620 -0.00529126 0.00155849
9.81518666 -7.08570778 -0.45065997
-0.00000572 0.00033019 0.00010338
-0.01571447 -0.03445687 -0.01380038
9.28363842 -4.29985710 -0.35852503
0.00014977 -0.00030459 0.00016773
-0.01524387 0.01965809 -0.00719005
-17.01794169 -6.53045757 6.33043159
-0.00038067 -0.00014340 -0.00060733
-0.00084189 0.01095978 -0.00917396
-18.05334657 -5.32995654 3.80411128
0.00031731 0.00008399 0.00081616
0.01322521 -0.00828657 0.00846332
-14.26450997 -0.93658192 18.94482035
0.00004683 -0.00016535 0.00096489
-0.00263599 -0.00303939 0.03013192
-15.04582359 -0.26592957 21.78828652
-0.00004188 0.00000637 -0.00110304
0.00075864 -0.00266587 -0.00304337
-0.17671788 2.91267441 -3.43938995
-0.00022912 -0.00001845 0.00098219
0.00493470 0.00995741 -0.00840407
0.91012030 2.22395645 -5.98324938
0.00069680 0.00018658 -0.00037683
0.00544074 0.01398749 0.01033002
20.04421650 -9.09867043 -5.68889855
-0.00074059 0.00015459 -0.00087408
0.01574736 0.00354055 -0.00708506
22.82065823 -9.46132034 -4.17233611
0.00083227 0.00060013 0.00047890
-0.02505506 0.00243419 -0.01673770
4.66383956 -11.28143584 6.57770877
-0.00111900 0.00045333 0.00043600
-0.04552349 0.01080681 -0.00646066
2.50877539 -11.56062213 8.49687728
-0.00011383 0.00062364 -0.00009611
0.00300204 0.01614727 -0.03122692
-2.70315918 -3.13570523 -20.50836315
0.00032923 0.00022687 0.00032798
0.02110920 0.02504265 0.03540843
-2.66688131 -1.39003310 -17.90292818
-0.00068407 -0.00014224 0.00025041
-0.01380159 -0.00482117 0.01129274
1.23419002 5.74140042 -11.43604303
-0.00001312 0.00032148 -0.00066631
-0.04129711 -0.01997164 0.01714624
-0.93809068 4.28943903 -9.73870308
-0.00044734 0.00074803 -0.00093346
-0.00092389 -0.01214825 0.02936210
-4.06948712 16.68982269 14.85233310
-0.00051057 0.00047595 -0.00070992
-0.01245659 -0.02870801 -0.03105603
-6.64831570 16.01470233 13.76846209
0.00005070 0.00051901 -0.00055693
0.00574891 -0.00662893 -0.00408331
-5.46064028 2.08188499 -6.46891404
0.00063473 0.00029664 -0.00059058
0.00048868 0.00014491 -0.00727499
-5.57744768 2.16338839 -9.48246629
0.00069617 -0.00051485 -0.00007424
0.00837519 0.01224602 0.01559717
-9.33964394 -1.52857229 -4.36015256
0.00066809 0.00000350 -0.00053956
-0.01573108 -0.02214957 0.00854251
-9.34413381 1.17645022 -3.24741819
-0.00037475 -0.00043906 0.00074603
-0.02729764 0.02633640 0.03552691
2.42589403 29.12219862 4.33466740
-0.00004469 -0.00022085 0.00021111
0.00761498 -0.02639614 0.04084026
2.50412736 28.28863764 7.36607657
-0.00098907 -0.00076420 -0.00011227
-0.00877916 0.01459256 0.01109439
7.19287705 -10.12186550 -3.12278500
-0.00135713 0.00065774 -0.00031955
0.01618013 0.01464264 0.01926715
8.87105550 -10.96283491 -0.85896796
0.00065650 -0.00029224 0.00011769
-0.00024538 -0.00107392 -0.00402659
-5.48287247 -0.35683730 9.63070865
-0.00045591 0.00053240 0.00004197
0.00734335 0.03231195 -0.00659732
-8.01876361 0.74756211 9.98091291
-0.00011155 -0.00011329 -0.00026454
-0.01054632 0.01175065 0.00207361
19.29920964 9.57207669 7.84680731
-0.00029074 0.00055798 -0.00090637
-0.00119777 -0.00213577 -0.02184557
21.41894285 10.26898354 6.03900904
-0.00110927 -0.00095387 0.00015580
0.01876371 0.00235796 -0.00566597
-2.93699104 0.52940510 -22.58307573
-0.00014784 0.00053788 0.00128545
0.00560619 -0.00461950 0.03797334
-5.29520266 0.57062142 -24.39188746
0.00112533 -0.00056609 -0.00062479
0.03373898 0.00072056 0.00094414
-12.77322185 9.53636080 10.66729545
-0.00036737 0.00011558 -0.00006678
0.00273769 -0.00405552 0.00080450
-13.46795125 9.55715988 7.99597773
-0.00054716 -0.00021206 0.00024848
-0.00780654 -0.00573476 -0.00533214
-13.77312897 4.20736306 -4.88041149
0.00005970 -0.00095452 -0.00082598
0.00511868 -0.00353326 0.00559322
-14.95502261 6.76683905 -4.98699007
-0.00012280 -0.00069005 0.00007442
0.00103768 -0.00414643 0.01766880
-5.30889128 -16.11395087 21.24762936
-0.00036502 0.00007792 -0.00075557
-0.01352258 -0.00625977 -0.00547568
-3.01517461 -15.41949153 19.62815725
0.00005671 0.00029609 0.00014177
0.00597423 -0.00196981 -0.01735975
-6.52625391 6.73386411 -6.57601209
0.00000639 0.00068819 -0.00017395
0.00093091 0.00627636 0.00480787
-7.48918706 9.37614464 -5.36032216
-0.00128852 -0.00023339 -0.00022989
0.00475839 -0.01116508 -0.01558718
-20.76867369 31.04351793 -0.06642447
-0.00064473 -0.00039553 0.00075877
-0.00403091 -0.00135028 -0.00228095
-18.00744946 30.64767960 0.90559471
0.00090087 -0.00060886 -0.00091306
-0.00147551 -0.00418836 -0.00029870
9.13597843 3.07099351 6.82616270
0.00029413 0.00059604 0.00111824
-0.00028371 -0.00676504 0.00275878
9.85495283 5.40389655 8.39338223
-0.00069187 0.00122157 0.00024896
-0.00051821 -0.00053171 0.00458000
8.51919743 17.89775880 -12.39694226
-0.00009888 0.00011185 0.00043728
-0.00732299 -0.02429234 0.00368451
8.61682290 15.20596324 -11.24677651
0.00009119 -0.00035055 -0.00022085
0.00946374 -0.00223336 -0.00162430
12.73966897 5.58678962 0.12871045
0.00064570 -0.00023067 -0.00081616
0.02097210 -0.00417913 -0.01395698
14.35896962 3.34146281 0.77864174
0.00045617 -0.00088522 0.00042736
-0.00643109 0.01047961 -0.01967990
-4.65542427 11.74033683 -2.68837390
-0.00022989 -0.00001504 0.00005254
0.04624040 -0.01183872 -0.04963095
-5.49499932 10.28149630 -0.37814893
0.00059506 -0.00041613 -0.00135882
0.00455099 0.00517972 -0.01148096
7.85671960 13.17808700 4.75637239
-0.00052518 -0.00051070 0.00007367
-0.01626877 0.06469353 -0.00756261
10.08242800 11.40875593 4.53916975
0.00015079 -0.00032291 0.00016839
0.01182365 -0.00486099 -0.00354333
18.74554805 -11.25728759 -9.11902414
0.00053023 0.00108585 0.00078864
-0.01549501 -0.00283067 0.02058053
20.63481429 -12.84274515 -10.62493595
0.00053511 -0.00117956 0.00030097
-0.00297551 0.00152267 0.00600352
18.87772572 -5.06529468 -1.77388708
0.00028001 0.00083988 0.00012846
0.00212599 0.00989275 -0.02880863
18.14579676 -7.41743224 -0.32353144
0.00037764 0.00037997 0.00033634
0.01066916 0.00844076 0.00615943
15.11872577 9.23674215 9.33057410
-0.00040072 -0.00080013 0.00007546
0.00217968 -0.00988178 0.00171063
16.56925125 7.67022431 11.31397942
0.00006250 0.00064809 -0.00041791
-0.00084017 -0.00092173 0.00407113
2.64724881 -15.68259067 17.51048103
0.00011835 0.00033688 0.00095455
0.01062090 -0.01037942 -0.01655377
3.35929201 -12.92654914 17.31515178
-0.00087380 -0.00037171 0.00038053
0.01556229 -0.01862387 -0.02105582
-4.11043748 -4.31371398 -13.61458983
-0.00061658 0.00028596 -0.00036102
-0.00649918 -0.00218909 0.00123909
-1.89852305 -2.28950305 -13.35695999
-0.00076660 0.00010349 -0.00016020
-0.01374674 -0.00178266 -0.00345133
16.03439208 -7.38245671 -14.92576209
-0.00019401 0.00041202 0.00013994
0.00340504 -0.00223979 0.00613950
17.19285602 -7.65857204 -12.08240392
0.00007206 0.00069943 0.00021632
-0.00931810 0.01218515 -0.01020450
9.54701273 -4.44009170 4.97514929
-0.00082156 0.00062757 0.00118874
-0.00816281 -0.00061330 0.00667018
12.25592052 -4.67183196 5.74061582
0.00105779 0.00063629 0.00030185
-0.00267913 0.00556371 0.00386000
-21.15715706 0.04950482 24.53040802
-0.00040473 -0.00032083 -0.00010888
0.02396901 -0.00771841 0.01116979
-20.14215911 2.47980918 25.45907529
-0.00007677 0.00011528 -0.00105699
-0.00001622 0.02469561 0.01062026
24.57856002 -2.49429376 -7.18105282
-0.00007337 -0.00015343 0.00047537
0.00867908 -0.00226615 0.00443367
24.11666543 -0.58653735 -9.30063117
-0.00013747 -0.00051742 0.00078993
-0.00235048 0.00683997 0.00223828
12.53704245 -10.28866448 -9.73627890
-0.00024902 -0.00021744 0.00055978
-0.01390375 0.01667405 -0.01867233
12.46998551 -8.43154483 -12.11968084
0.00014630 0.00015324 -0.00006741
-0.01012700 -0.01796765 0.01176610
-9.37978056 -9.10317206 18.26473576
0.00001282 -0.00012603 0.00016910
0.00502309 -0.00820991 -0.01010010
-11.55368100 -9.82673358 16.66862398
-0.00095918 0.00146072 0.00060832
0.00861141 -0.00443980 0.00030284
8.38045904 0.39060047 -30.10601229
-0.00029919 -0.00070172 -0.00001962
0.01071443 0.00487268 0.00808893
5.72119130 0.82997259 -29.09124035
-0.00042746 -0.00059107 -0.00078413
-0.00150960 -0.00590804 0.00647553
12.45599797 19.62954394 12.51065393
0.00012159 -0.00047289 -0.00003662
0.00775349 -0.02695779 -0.00957660
13.82977631 17.33227748 10.84932082
-0.00097946 -0.00000858 -0.00083937
-0.02111527 0.01943478 0.02215160
27.73060284 7.71275181 -11.55034542
-0.00036599 0.00000126 0.00042534
-0.00288513 -0.00220894 -0.01051698
25.94757656 7.32909895 -9.32141660
-0.00057158 -0.00077823 -0.00030132
-0.00572482 0.00350761 0.01039025
-7.12559480 4.58236622 6.68981095
0.00028169 -0.00008641 -0.00005532
-0.00141898 -0.00606469 -0.00521941
-8.94405821 8.73801616 3.87604511
0.00022673 -0.00009140 0.00001949
-0.00131470 -0.00684578 -0.00399031
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08015383
0.29603067
394.44602707
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3515110603 (a.u.)
total exchange computation time: 3.0851461887 s
-153.9844193272
-931.38051013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3516259091 (a.u.)
total exchange computation time: 3.0862638950 s
-153.9845016790
Anderson extrapolation: theta=1.3525099195 (1.3525099195)
-931.38072345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3517168331 (a.u.)
total exchange computation time: 3.0896070004 s
-153.9852344992
Anderson extrapolation: theta=0.0529056642 (0.0529056642)
-931.38085219
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3516688361 (a.u.)
total exchange computation time: 3.0853030682 s
-153.9858129534
Anderson extrapolation: theta=1.9575304248 (1.9575304248)
-931.38085729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3515602329 (a.u.)
total exchange computation time: 3.0860610008 s
-153.9870546637
Anderson extrapolation: theta=0.2300598119 (0.2300598119)
-931.38086288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.3515340131 (a.u.)
total exchange computation time: 3.0857820511 s
-153.9873288414
Anderson extrapolation: theta=1.8857225723 (1.8857225723)
-931.38086400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3515022997 (a.u.)
total exchange computation time: 3.0847530365 s
-153.9876666465
Anderson extrapolation: theta=0.2877955398 (0.2877955398)
-931.38086539
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3515101330 (a.u.)
total exchange computation time: 3.0893959999 s
-153.9875979312
Anderson extrapolation: theta=1.3065811527 (1.3065811527)
-931.38086571
73.463269 67.835024 -294.988633
546.531723 1079.839625 -416.236267
619.994992 1147.674649 -711.224899
1485.729365
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3515316495 (a.u.)
total exchange computation time: 3.0845198631 s
678.51997685
-1082.99384008
89.81427354
-389.61219179
-174.75755282
77.84342109
551.60419304
0.00000000
-931.38086595
3.66176420 -31.32647454 -3.82830851
-0.00038094 0.00030389 0.00001734
0.00332770 -0.02169778 -0.01697761
-11.15869652 2.22767420 -9.33665395
-0.00000122 -0.00005244 -0.00011015
-0.00872986 -0.01375914 -0.00211440
-37.06290352 1.91952202 3.96029489
0.00015101 0.00014801 0.00012567
-0.01250091 -0.01821241 0.00340214
-7.72562957 -3.62391699 2.99697169
0.00003990 -0.00008074 -0.00028162
-0.00584459 0.01123108 0.00325671
2.28597436 -0.05096718 9.69381278
0.00014318 0.00029004 -0.00007857
0.00738880 -0.02187937 0.01236910
-31.26756546 1.38661391 3.50354868
-0.00017187 0.00015470 -0.00008344
0.01348987 0.01262255 -0.00053775
16.43646342 13.25347940 -17.68926306
0.00014394 -0.00029482 0.00000618
0.00057132 -0.03566430 -0.02308564
-3.26521505 4.91782758 4.19397743
-0.00023361 -0.00016729 -0.00059865
-0.00015862 0.02030267 0.01674305
4.83310663 17.37920447 -6.57069766
0.00013075 0.00010274 -0.00023925
0.01664114 -0.02529718 -0.03621109
8.29206393 7.31352515 -21.19541643
0.00003407 0.00051442 -0.00018219
-0.01417104 -0.01432679 -0.02676320
19.78988289 18.83397724 -5.35866210
0.00053383 -0.00004865 0.00011427
-0.01479387 -0.00119558 0.02243285
2.02729779 14.68054449 -21.42161608
0.00011909 -0.00005902 0.00009413
0.02121035 0.01183294 -0.00721202
10.49687728 -5.54871597 0.06764597
0.00007188 0.00002126 -0.00015844
0.04160289 0.02642756 0.02636807
-16.52354446 -5.54853756 4.83838854
0.00017055 -0.00006801 -0.00023274
-0.01072602 -0.00483068 0.00380040
-14.23011752 -1.53570749 20.75408869
0.00009101 0.00007247 -0.00003677
-0.00065063 0.00902130 -0.02471548
0.83846901 3.66924904 -4.79122711
-0.00046353 -0.00005151 -0.00018231
-0.01584741 -0.02594999 0.00869920
20.92649947 -9.58129840 -4.18532941
-0.00033551 0.00007333 -0.00030802
0.00290518 -0.00837596 0.01122787
2.77929105 -10.83297490 6.74304657
0.00005347 -0.00011516 -0.00005990
0.03735287 -0.02216144 0.03954468
-1.80587719 -1.77041942 -19.42682297
-0.00021735 -0.00025709 0.00014240
-0.00689976 -0.01877313 -0.04389503
-0.61077194 5.12818239 -11.25939998
0.00010446 0.00029498 0.00008488
0.03326145 0.03813401 -0.05210801
-4.88789210 15.47143180 13.54608893
0.00008880 0.00007263 0.00047638
0.00925673 0.03288058 0.05235281
-4.96402151 3.08460798 -7.92639641
-0.00006591 0.00011712 -0.00045728
-0.00650213 -0.00247485 -0.00265305
-8.64553806 0.09313510 -4.41629061
0.00017348 -0.00023278 0.00024480
0.04641584 0.00579721 -0.03444138
2.96528187 27.84247601 5.70400716
0.00015639 -0.00019742 -0.00017900
0.00125248 0.00607691 -0.05230218
8.69582568 -9.60649863 -2.09450708
-0.00005761 0.00010794 0.00003639
-0.02959059 -0.02662574 -0.01165129
-6.31229701 1.40086134 9.91536588
0.00035571 -0.00000632 0.00035940
-0.00286476 -0.04921714 -0.00796162
19.75551281 9.56818386 6.01100145
0.00022164 -0.00005501 -0.00029806
-0.02072136 0.00040736 0.02860436
-3.39416128 0.62378380 -24.29153476
-0.00019470 -0.00016184 -0.00011413
-0.02759875 -0.00058775 -0.02528052
-13.63348111 8.44143716 9.46722219
-0.00003958 0.00011587 -0.00014982
0.00241970 0.00837521 0.00072567
-13.80448739 5.76242136 -3.91328207
0.00027446 0.00004263 0.00008854
-0.00086057 -0.00896106 -0.02475746
-3.79900283 -15.08943274 21.20295852
0.00008863 0.00013313 0.00024935
0.00579128 0.00502923 0.01990411
-6.31101208 8.55875975 -6.54296443
-0.00021173 0.00010513 0.00032989
-0.00037517 0.00611295 0.00112322
-19.77695623 30.31784626 1.26181258
-0.00003766 0.00031173 0.00016568
0.01615039 0.00466421 0.00224895
10.30809016 3.62924015 8.14055132
-0.00018518 0.00002887 -0.00022102
0.00111377 0.01944192 0.00024397
7.44890240 16.50679004 -11.74069781
-0.00018129 0.00007085 0.00000847
-0.00850427 0.01724836 0.00675403
14.05021943 4.52320426 -0.68351989
-0.00006172 -0.00020020 0.00056777
-0.00872129 -0.01978928 0.03196869
-5.68660320 11.86110268 -1.31302263
-0.00045375 0.00002973 0.00009083
-0.04603361 0.01637800 0.05537526
8.32126875 11.51560471 4.93317112
0.00031138 -0.00068421 -0.00008105
-0.00120450 -0.05252820 0.01437425
19.85798349 -11.17458708 -10.51462917
0.00003549 0.00014859 -0.00037533
0.02182048 -0.01271932 -0.02213802
19.22170783 -5.84460922 -0.21341589
0.00014646 0.00015160 0.00017514
-0.01360378 -0.01819527 0.01983170
15.94369725 7.61407657 9.60850392
-0.00019197 -0.00013535 0.00007193
-0.00695613 0.00969926 -0.00455131
3.85205679 -14.60780329 16.57565649
-0.00012238 -0.00015279 -0.00007415
-0.02333899 0.03619855 0.02532736
-3.65450321 -2.53940374 -13.90955908
-0.00033833 -0.00017412 -0.00034332
0.02423275 0.02411185 0.00230010
16.23906992 -6.53340442 -13.23433011
0.00024580 0.00038583 0.00029815
-0.00671558 -0.02630712 -0.00924107
10.58363700 -4.41774501 6.48689794
-0.00017188 -0.00024513 0.00023129
0.01959415 -0.00213438 -0.00809364
-19.52604282 0.83407554 25.10027213
-0.00005279 0.00016162 0.00033824
-0.03469190 -0.01814353 -0.01742118
24.05386141 -0.75263232 -7.44938430
-0.00010802 0.00009670 0.00007748
-0.00712954 -0.00195487 -0.00740185
11.49336301 -9.75314534 -11.22110028
0.00007522 0.00009444 0.00009197
0.02630986 0.00068626 0.01395926
-9.71953059 -9.94877532 16.65756100
0.00008417 -0.00002093 0.00031280
-0.01564370 0.01326179 0.00727370
7.36292039 0.17026085 -28.58657279
0.00004628 -0.00040955 -0.00009091
-0.01441023 0.00396228 -0.00628555
12.58024780 17.77410429 12.25046870
0.00000085 0.00013036 0.00007417
0.01805992 0.01055242 -0.01275323
25.93606721 7.43379031 -11.14990993
0.00021304 0.00026919 -0.00009657
0.00734954 0.00512038 0.00253051
3.69951952 -29.83638778 -4.88913933
0.00059507 0.00067339 -0.00015929
0.00919188 0.01153568 -0.00395254
3.37286280 -30.74204242 -2.13564591
-0.00014811 0.00060102 -0.00043747
-0.00217410 0.01476901 0.02223755
-9.70496933 3.16924152 -8.81011122
-0.00042943 -0.00119155 -0.00055968
0.00375762 0.00208829 0.00097038
-11.55904539 2.63522478 -11.10466748
-0.00020497 -0.00004619 0.00074631
0.00325225 0.00661836 -0.00109942
-36.86790432 3.45361232 3.05953772
0.00067408 0.00022076 -0.00046767
-0.00344901 0.02133549 -0.00970032
-38.92982418 1.49013007 3.73939847
0.00103625 0.00043664 0.00090095
0.03034283 0.00037431 0.00352246
-9.05998765 -3.98169492 1.76469707
-0.00057388 -0.00105494 0.00080927
0.00495429 -0.01255024 -0.00135713
-6.28803292 -4.67227513 2.64129159
0.00010137 -0.00021129 -0.00004884
-0.00206046 -0.00691948 -0.00300995
3.46324568 -1.29652905 9.04639621
0.00061621 -0.00083412 -0.00067404
-0.00343861 0.00659789 -0.00416719
1.83463852 1.03691192 8.34235589
-0.00072746 -0.00070986 0.00021600
-0.00220414 0.01207256 -0.01331043
-30.84145786 -0.37110162 3.81498926
0.00020945 -0.00077070 0.00026885
-0.00043154 -0.00416822 -0.00490533
-33.06127860 1.52641431 3.29590157
0.00021149 -0.00077436 0.00103978
-0.00944201 -0.00813019 0.00345903
15.49048008 11.80443735 -18.66422442
0.00005628 0.00090800 -0.00007579
0.01207969 0.03873849 0.03089677
17.97959702 12.27116673 -17.26110227
0.00022632 0.00010027 0.00000937
-0.01269128 0.00814013 -0.00149451
-2.81738545 6.52947151 5.12943735
0.00077842 -0.00006251 -0.00051483
-0.00104917 -0.02445701 -0.01288782
-3.80980318 5.65188562 2.62004874
0.00048505 0.00015192 0.00026713
0.00418244 -0.00189225 -0.00730779
5.89691136 16.83086264 -8.12224266
0.00007097 0.00073663 -0.00000060
-0.02298943 0.02031851 0.03076170
5.72474724 18.75554037 -5.77238602
-0.00127479 -0.00113583 0.00049202
0.00807562 0.00034511 -0.00274436
8.95814952 6.40827643 -22.68313365
0.00088308 -0.00014576 0.00069481
-0.01457871 0.00906017 0.00315281
9.64746033 7.42092963 -20.03523546
-0.00017781 0.00004331 -0.00047264
0.01900546 0.01011592 0.01932449
19.60924895 20.19604938 -4.09159533
0.00066965 0.00021969 -0.00166383
-0.00524194 -0.00414076 -0.00542508
20.87674537 19.61895359 -6.53866542
0.00038691 0.00020692 0.00085210
0.01676218 0.01015603 -0.01711657
1.93684328 12.99932146 -20.78815865
-0.00090411 -0.00006848 0.00042506
-0.01059803 -0.00734788 0.00974638
0.39206887 15.31492723 -21.93609163
-0.00084940 -0.00061902 -0.00012946
-0.01337379 -0.00610124 0.00281895
9.81461927 -7.08181079 -0.44953214
-0.00007162 0.00018446 0.00004591
-0.01654468 -0.03688011 -0.01433126
9.28541778 -4.30382360 -0.35622935
0.00008440 -0.00022050 0.00013752
-0.01675195 0.02150477 -0.00760000
-17.02367761 -6.53227278 6.32104048
-0.00038287 -0.00009979 -0.00064226
-0.00023501 0.01039177 -0.00792335
-18.04818159 -5.32895056 3.81661310
0.00036362 0.00005240 0.00084314
0.00944304 -0.00717655 0.00474300
-14.26388824 -0.93915533 18.96021701
0.00003683 -0.00017553 0.00107548
-0.00225819 -0.00194279 0.02400176
-15.04642861 -0.26591576 21.77164766
-0.00004288 0.00000123 -0.00110851
-0.00124766 0.00014995 0.00036803
-0.18000353 2.91270277 -3.42491460
-0.00020377 0.00002414 0.00093841
0.00747705 0.01088919 -0.01302695
0.92073901 2.22718377 -5.98858536
0.00071690 0.00024267 -0.00033266
0.00439910 0.01346798 0.01129148
20.03359014 -9.09624307 -5.70222684
-0.00067044 0.00016669 -0.00089384
0.01859378 0.00238011 -0.00258950
22.83237457 -9.45224382 -4.16566555
0.00071796 0.00060919 0.00040908
-0.03090092 0.00200198 -0.01743910
4.64565953 -11.27430478 6.58405073
-0.00129089 0.00049379 0.00040751
-0.03861730 0.00900123 -0.00748450
2.50715995 -11.55077272 8.49447877
-0.00010267 0.00068792 -0.00022041
0.00246115 0.01532004 -0.02962018
-2.69757389 -3.13153487 -20.50235850
0.00041190 0.00032440 0.00046886
0.01935750 0.02270273 0.03355513
-2.67756531 -1.39231447 -17.89882606
-0.00073709 -0.00016325 0.00029119
-0.01215163 -0.00546004 0.00867069
1.23272780 5.74561062 -11.44551230
-0.00018085 0.00023950 -0.00059447
-0.04081097 -0.02015681 0.01801932
-0.94482902 4.30028728 -9.75180521
-0.00045370 0.00068955 -0.00079704
-0.00219322 -0.01647786 0.03741310
-4.07752742 16.69608220 14.84073272
-0.00055762 0.00036190 -0.00083137
-0.01057384 -0.02711868 -0.02839559
-6.64737903 16.02228442 13.75998305
0.00007416 0.00049133 -0.00057351
0.00573511 -0.00692087 -0.00403452
-5.45110442 2.08633904 -6.47799559
0.00063514 0.00029426 -0.00061489
-0.00028479 -0.00131183 -0.00462660
-5.56674855 2.15604085 -9.48310193
0.00072886 -0.00046519 -0.00001257
0.00762751 0.01206356 0.01459165
-9.33010468 -1.52919857 -4.36798423
0.00060068 -0.00009407 -0.00050449
-0.01726728 -0.02560935 0.00862498
-9.35059159 1.17067129 -3.23513915
-0.00048169 -0.00033900 0.00088369
-0.02504799 0.02264665 0.03186273
2.42545707 29.11807705 4.33908556
-0.00001401 -0.00032687 0.00037526
0.00740139 -0.02550264 0.03950984
2.48902225 28.27762186 7.36473252
-0.00102377 -0.00070619 -0.00007132
-0.00820518 0.01380199 0.00894767
7.17301590 -10.11155073 -3.12698778
-0.00128102 0.00071876 -0.00023308
0.02107654 0.01522699 0.02305890
8.88089544 -10.96725138 -0.85732597
0.00065329 -0.00029279 0.00009626
-0.00132421 0.00080323 -0.00646625
-5.48948614 -0.34786109 9.63113599
-0.00042225 0.00065862 0.00001455
0.00913440 0.02947286 -0.00682285
-8.02076002 0.74622288 9.97700830
-0.00014832 -0.00006204 -0.00025599
-0.00745398 0.01333407 0.00211452
19.29481178 9.58038092 7.83254236
-0.00029771 0.00054837 -0.00098922
-0.00221134 -0.00256552 -0.01870883
21.40287871 10.25474778 6.04117235
-0.00100805 -0.00093401 0.00013208
0.03078863 0.00736204 -0.00594281
-2.93903688 0.53733171 -22.56263037
-0.00013195 0.00052022 0.00141524
0.00217143 -0.00402606 0.02556164
-5.27728880 0.56215214 -24.40123039
0.00124676 -0.00056309 -0.00062089
0.02570166 0.00074732 0.00096439
-12.77864858 9.53797015 10.66631846
-0.00035518 0.00009969 -0.00006278
0.00323283 -0.00371843 0.00115337
-13.47639785 9.55380330 7.99954161
-0.00057801 -0.00023076 0.00022012
-0.00729647 -0.00342034 -0.00855421
-13.77207660 4.19293706 -4.89262984
0.00008068 -0.00095267 -0.00079252
0.00514965 0.00443852 0.01078764
-14.95683281 6.75636126 -4.98533228
-0.00011972 -0.00070447 0.00014559
0.00047128 -0.00291071 0.01716594
-5.31478095 -16.11297384 21.23612796
-0.00041575 0.00005560 -0.00077656
-0.01131102 -0.00466708 -0.00479744
-3.01414092 -15.41511050 19.62975185
0.00008117 0.00028892 0.00007192
0.00600168 -0.00154146 -0.01683348
-6.52612955 6.74437922 -6.57847399
0.00000885 0.00070446 -0.00015468
0.00027578 0.00169257 0.00462313
-7.50836904 9.37230172 -5.36424813
-0.00126726 -0.00027921 -0.00029461
0.00564591 -0.01126519 -0.01609621
-20.77846810 31.03754356 -0.05511275
-0.00066359 -0.00039823 0.00074427
-0.00520335 0.00003029 -0.00481723
-17.99398163 30.63841837 0.89188960
0.00088045 -0.00062767 -0.00091188
-0.00851940 -0.00502163 0.00088006
9.14038164 3.07972687 6.84302090
0.00028054 0.00056234 0.00111488
-0.00636947 -0.00973214 -0.00440409
9.84455888 5.42220379 8.39725693
-0.00068923 0.00120254 0.00026538
0.00181256 -0.00878216 0.00345801
8.51748984 17.89869215 -12.39027014
-0.00012796 0.00001389 0.00045151
-0.00691045 -0.02365970 0.00327981
8.61848082 15.20063649 -11.25013899
0.00012540 -0.00035500 -0.00022922
0.00727925 0.00005541 -0.00247363
12.74999716 5.58320153 0.11604039
0.00072135 -0.00024077 -0.00086473
0.01605840 -0.00076793 -0.00981862
14.36561516 3.32850563 0.78444911
0.00042697 -0.00083787 0.00034479
-0.00786443 0.01269958 -0.02073794
-4.65745565 11.73974843 -2.68910665
-0.00004498 -0.00006025 -0.00014653
0.04427181 -0.01028950 -0.04781601
-5.48593395 10.27541305 -0.39888305
0.00061247 -0.00039837 -0.00140110
0.00396878 0.00351596 -0.00921521
7.84834337 13.17240893 4.75724563
-0.00058823 -0.00025744 0.00004364
-0.01459449 0.05928036 -0.00713457
10.08505218 11.40376336 4.54158699
0.00020235 -0.00034208 0.00015309
0.01341655 -0.00452227 -0.00394399
18.75302674 -11.24108665 -9.10656383
0.00047408 0.00107421 0.00086418
-0.01199211 -0.00286466 0.01639374
20.64274969 -12.86039197 -10.62023740
0.00051422 -0.00115610 0.00032673
-0.00724711 0.00996280 0.00660654
18.88199100 -5.05239339 -1.77284295
0.00028952 0.00087649 0.00001691
0.00252878 0.00803067 -0.02579688
18.15178834 -7.41147401 -0.31829757
0.00041904 0.00041213 0.00036001
0.00959459 0.00730052 0.00542849
15.11278172 9.22443741 9.33175843
-0.00039544 -0.00083366 0.00008048
0.00040388 -0.00653218 0.00074793
16.57016299 7.67991735 11.30783553
0.00006143 0.00064385 -0.00039605
0.00031843 -0.00115389 0.00663023
2.64934947 -15.67785559 17.52429198
0.00016251 0.00029280 0.00088526
0.01099661 -0.01119498 -0.01736315
3.34666189 -12.93269553 17.32021454
-0.00080830 -0.00044772 0.00029259
0.01650087 -0.01858148 -0.02199406
-4.11988538 -4.30949163 -13.61996710
-0.00064326 0.00027233 -0.00035486
-0.00655782 -0.00448508 0.00177620
-1.91044325 -2.28800539 -13.35946880
-0.00081827 0.00009608 -0.00017302
-0.01154794 -0.00184335 -0.00282364
16.03158626 -7.37634506 -14.92347484
-0.00017914 0.00040315 0.00016726
0.00387537 -0.00210188 0.00723129
17.19365144 -7.64770723 -12.07947176
0.00003641 0.00074587 0.00017727
-0.00813461 0.01054638 -0.00891274
9.53443926 -4.43069689 4.99318476
-0.00085600 0.00062426 0.00120960
-0.00869832 -0.00100714 0.00354036
12.27170525 -4.66211714 5.74526187
0.00103213 0.00066043 0.00032034
-0.00988054 0.00625584 0.00519228
-21.16249352 0.04445586 24.52911705
-0.00030060 -0.00034873 -0.00006038
0.02700230 -0.00594114 0.01257185
-20.14331114 2.48229516 25.44354583
-0.00007812 0.00022006 -0.00101290
-0.00064393 0.02659277 0.01096515
24.57772549 -2.49666464 -7.17378646
-0.00003929 -0.00015819 0.00049271
0.00800344 -0.00006428 0.00405552
24.11453131 -0.59408901 -9.28871370
-0.00014690 -0.00048821 0.00078864
-0.00226412 0.00745892 -0.00286569
12.53288111 -10.29141513 -9.72845433
-0.00030654 -0.00014784 0.00048091
-0.01425351 0.01739774 -0.01993558
12.47186967 -8.42979680 -12.12033141
0.00010461 0.00007826 -0.00001793
-0.01028108 -0.01873774 0.01245334
-9.37943431 -9.10531416 18.26696282
0.00003503 -0.00015829 0.00013087
0.00584832 -0.00757872 -0.00861496
-11.56780489 -9.80495878 16.67775812
-0.00090798 0.00144048 0.00060905
0.01645168 -0.00547028 0.00005400
8.37629945 0.38022396 -30.10605868
-0.00025306 -0.00068165 0.00001035
0.01186655 0.00495046 0.00657997
5.71473316 0.82092548 -29.10280391
-0.00042648 -0.00061796 -0.00075498
0.00198747 -0.00725503 0.00779607
12.45805944 19.62162456 12.50981120
0.00015237 -0.00057415 -0.00007460
0.00731197 -0.02260969 -0.00901354
13.81443744 17.33274437 10.83740905
-0.00106497 0.00007081 -0.00074787
-0.02074486 0.01942615 0.02264041
27.72502452 7.71270301 -11.54428753
-0.00036927 -0.00000647 0.00038063
0.00127983 -0.00157560 -0.01137076
25.93882739 7.31753294 -9.32561794
-0.00059428 -0.00076362 -0.00025730
-0.00538533 0.00364572 0.01115457
-7.12137323 4.58105380 6.68896707
0.00028115 -0.00008854 -0.00005721
-0.00163461 -0.00586711 -0.00529107
-8.94065960 8.73663331 3.87633047
0.00022641 -0.00009299 0.00001857
-0.00141485 -0.00686042 -0.00391167
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08016975
0.30069620
400.66261224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3617719580 (a.u.)
total exchange computation time: 3.0845060349 s
-154.0199100238
-931.38377364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3618164904 (a.u.)
total exchange computation time: 3.0854301453 s
-154.0204594534
Anderson extrapolation: theta=1.3462608033 (1.3462608033)
-931.38397931
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3617963728 (a.u.)
total exchange computation time: 3.0850939751 s
-154.0219121287
Anderson extrapolation: theta=0.0505767988 (0.0505767988)
-931.38410213
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3617303333 (a.u.)
total exchange computation time: 3.0858240128 s
-154.0225945532
Anderson extrapolation: theta=1.8819012541 (1.8819012541)
-931.38410660
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3615851263 (a.u.)
total exchange computation time: 3.0845599174 s
-154.0240304168
Anderson extrapolation: theta=0.2156298759 (0.2156298759)
-931.38411112
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3615474960 (a.u.)
total exchange computation time: 3.0852639675 s
-154.0243650260
Anderson extrapolation: theta=1.8968304889 (1.8968304889)
-931.38411197
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3614916367 (a.u.)
total exchange computation time: 3.0828838348 s
-154.0248400872
Anderson extrapolation: theta=0.2867313269 (0.2867313269)
-931.38411304
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3614913355 (a.u.)
total exchange computation time: 3.0838069916 s
-154.0248223027
Anderson extrapolation: theta=1.3203229801 (1.3203229801)
-931.38411331
73.501797 67.804627 -294.938666
546.469467 1079.857581 -416.232937
619.971264 1147.662208 -711.171604
1485.684341
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669442942
ExchangeOperator: bisection time: 1.700 s
total exchange = -52.3615022465 (a.u.)
total exchange computation time: 3.0861790180 s
678.66341303
-1083.31065408
89.80585121
-389.39838113
-174.78284030
78.01793164
551.60419304
0.00000000
-931.38411353
3.65606290 -31.32199983 -3.82811386
-0.00037913 0.00029332 0.00000756
0.00371511 -0.01943483 -0.02106442
-11.15874844 2.22683460 -9.33831433
-0.00000723 -0.00006091 -0.00011074
-0.01467193 -0.01917992 -0.00019456
-37.06068655 1.92167189 3.96219308
0.00014597 0.00013977 0.00012710
-0.00712583 -0.01383416 0.00215557
-7.72505363 -3.62508476 2.99275999
0.00003712 -0.00007502 -0.00027970
-0.00497194 0.01102942 0.00419084
2.28815059 -0.04670099 9.69268197
0.00014885 0.00027641 -0.00007194
0.01465748 -0.03113056 0.01339610
-31.27009151 1.38898309 3.50229503
-0.00016336 0.00015906 -0.00008320
0.01959701 0.00431833 0.00145898
16.43862472 13.24891950 -17.68925940
0.00014440 -0.00031210 -0.00000523
0.00121458 -0.03150726 -0.02129024
-3.26871975 4.91539656 4.18506227
-0.00023291 -0.00015705 -0.00058835
0.00285435 0.01952927 0.02331075
4.83513209 17.38064798 -6.57442615
0.00013762 0.00008794 -0.00025849
0.01007388 -0.03226243 -0.03858607
8.29252035 7.32118620 -21.19825258
0.00002651 0.00050695 -0.00019636
-0.01525393 -0.01473707 -0.02830756
19.79783330 18.83324282 -5.35686155
0.00052601 -0.00005042 0.00012524
-0.01563016 -0.00566911 0.02022993
2.02916589 14.67970479 -21.42023199
0.00012839 -0.00005302 0.00009018
0.01496035 0.01152250 -0.00812992
10.49811590 -5.54829508 0.06537113
0.00009356 0.00003473 -0.00014479
0.04272477 0.02593819 0.02670156
-16.52102761 -5.54957637 4.83491206
0.00016598 -0.00007061 -0.00023015
-0.00702290 -0.00526951 0.00628617
-14.22875495 -1.53458559 20.75344175
0.00009108 0.00007599 -0.00004850
0.00092286 0.00465276 -0.02088290
0.83145495 3.66837634 -4.79392817
-0.00047202 -0.00006477 -0.00017691
-0.01717299 -0.02563283 0.01227452
20.92147796 -9.58023077 -4.18990642
-0.00033343 0.00006940 -0.00030317
0.00521077 -0.00690443 0.00761856
2.78023712 -10.83478775 6.74230063
0.00007066 -0.00012572 -0.00003989
0.02951655 -0.01890327 0.03826607
-1.80916401 -1.77434818 -19.42485637
-0.00022081 -0.00026568 0.00012127
-0.00656067 -0.01461939 -0.03823931
-0.60907673 5.13275419 -11.25832771
0.00012153 0.00031549 0.00005625
0.03311206 0.04162266 -0.05922985
-4.88652439 15.47264801 13.55343654
0.00009299 0.00008895 0.00050233
0.00702446 0.03058732 0.04858425
-4.96503530 3.08635524 -7.93326587
-0.00006882 0.00011642 -0.00045886
-0.00478232 -0.00026200 -0.00349629
-8.64275689 0.08966571 -4.41275148
0.00019682 -0.00022800 0.00022830
0.04436707 0.01281956 -0.02971390
2.96763260 27.83953819 5.70112038
0.00015697 -0.00019437 -0.00020463
0.00100391 0.00576114 -0.04735923
8.69484744 -9.60498221 -2.09400620
-0.00007365 0.00009375 0.00003015
-0.03280961 -0.02854534 -0.01261691
-6.30697237 1.40057674 9.92072624
0.00035287 -0.00003114 0.00035523
-0.00820196 -0.04731220 -0.00828663
19.75875741 9.56736027 6.00664088
0.00020825 -0.00005600 -0.00028422
-0.03131335 -0.00426971 0.02520553
-3.39718832 0.62135393 -24.29334425
-0.00020560 -0.00016218 -0.00012383
-0.01476212 -0.00074806 -0.01244555
-13.63406543 8.44320749 9.46497771
-0.00003850 0.00011944 -0.00014876
0.00176541 0.00550995 0.00339902
-13.80037387 5.76302617 -3.91204950
0.00027421 0.00003582 0.00007475
-0.00009695 -0.01749412 -0.02886460
-3.79765097 -15.08741641 21.20677549
0.00009101 0.00013510 0.00025913
0.00345356 0.00263909 0.01814716
-6.31418944 8.56036030 -6.53801172
-0.00021195 0.00010949 0.00033064
-0.00047205 0.01082967 0.00176762
-19.77745887 30.32254024 1.26430644
-0.00002743 0.00031397 0.00016715
0.02362315 0.00404594 0.00346474
10.30531675 3.62974813 8.13723697
-0.00018342 0.00004163 -0.00021863
0.00574663 0.03017984 0.00904896
7.44615030 16.50791933 -11.74054465
-0.00018527 0.00007883 0.00001236
-0.00697395 0.01378601 0.00835789
14.04926000 4.52012499 -0.67488009
-0.00006442 -0.00021182 0.00058315
-0.00179982 -0.02539886 0.02785953
-5.69358695 11.86161182 -1.31144662
-0.00047627 0.00003813 0.00011761
-0.04155632 0.01627525 0.04875774
8.32593485 11.50513899 4.93201075
0.00030980 -0.00070923 -0.00007376
-0.00496068 -0.04477303 0.01398051
19.85860001 -11.17240728 -10.52034456
0.00004663 0.00014008 -0.00038563
0.02150912 -0.02038058 -0.01791484
19.22385223 -5.84240539 -0.21071224
0.00013966 0.00014313 0.00018449
-0.01284281 -0.01475916 0.01652796
15.94079089 7.61208372 9.60956532
-0.00019531 -0.00013123 0.00006925
-0.00601913 0.00634477 -0.00589026
3.85013108 -14.60995546 16.57464195
-0.00013462 -0.00013421 -0.00006082
-0.02425673 0.03604587 0.02650426
-3.65948474 -2.54192251 -13.91470000
-0.00032639 -0.00016110 -0.00034253
0.02220547 0.02651259 0.00077308
16.24273100 -6.52771844 -13.22989348
0.00024175 0.00037259 0.00029268
-0.00902535 -0.02518421 -0.01204677
10.58113435 -4.42143015 6.49033601
-0.00015995 -0.00024630 0.00022762
0.02681276 -0.00240880 -0.00617820
-19.52696852 0.83642988 25.10527850
-0.00007115 0.00015155 0.00032892
-0.03670710 -0.02103360 -0.01880066
24.05221368 -0.75118936 -7.44825064
-0.00011150 0.00009493 0.00007508
-0.00644065 -0.00491494 -0.00192571
11.49459274 -9.75172609 -11.21966694
0.00008867 0.00009473 0.00009924
0.02600852 0.00044284 0.01431884
-9.71832834 -9.94903809 16.66228101
0.00007413 -0.00001406 0.00031614
-0.02342949 0.01344219 0.00572364
7.36355896 0.16413293 -28.58796072
0.00003772 -0.00040718 -0.00009411
-0.01885484 0.00525496 -0.00614395
12.58033021 17.77610041 12.25153208
0.00001012 0.00013451 0.00006746
0.01797080 0.00557571 -0.01335383
25.93929121 7.43784789 -11.15134876
0.00021553 0.00027159 -0.00009513
0.00231911 0.00420952 0.00309270
3.70872719 -29.82593341 -4.89164983
0.00063218 0.00071508 -0.00017254
0.00897450 0.00887017 -0.00253250
3.37057449 -30.73257455 -2.14152651
-0.00015763 0.00066229 -0.00034070
-0.00248466 0.01522320 0.02513316
-9.71129558 3.15143222 -8.81847664
-0.00039951 -0.00117366 -0.00055021
0.01088750 0.00667160 0.00366402
-11.56202024 2.63473472 -11.09350651
-0.00019375 -0.00001719 0.00073259
0.00223892 0.00757723 -0.00561575
-36.85789886 3.45757755 3.05222544
0.00065848 0.00030028 -0.00050293
-0.00418600 0.01758860 -0.00756066
-38.91335065 1.49669114 3.75302068
0.00115029 0.00043696 0.00091346
0.02548211 -0.00021657 0.00260019
-9.06844406 -3.99790365 1.77679460
-0.00055458 -0.00110637 0.00080190
0.00449511 -0.01262334 -0.00225395
-6.28657546 -4.67565659 2.64046682
0.00009174 -0.00023881 -0.00006106
-0.00265533 -0.00654862 -0.00297349
3.47238346 -1.30883862 9.03615794
0.00058971 -0.00079374 -0.00068466
-0.00953158 0.01316707 -0.00103042
1.82365910 1.02663395 8.34518800
-0.00073882 -0.00065502 0.00015315
-0.00335542 0.01477434 -0.01745229
-30.83832927 -0.38278990 3.81887164
0.00020529 -0.00077330 0.00024591
-0.00160654 0.00289768 -0.00632343
-33.05839560 1.51454971 3.31160430
0.00016342 -0.00080552 0.00105262
-0.01408935 -0.00711947 0.00282750
15.49169449 11.81924436 -18.66441455
0.00010366 0.00106011 0.00004713
0.01111278 0.03572144 0.02927488
17.98260291 12.27292015 -17.26100751
0.00017511 0.00013188 0.00000282
-0.01237441 0.00733761 -0.00171184
-2.80574131 6.52778442 5.12131992
0.00077241 -0.00016558 -0.00056819
-0.00189416 -0.02599768 -0.01323178
-3.80239932 5.65410642 2.62383169
0.00049737 0.00014898 0.00022480
0.00184950 0.00045202 -0.01340973
5.89727141 16.84253475 -8.12130900
-0.00002018 0.00081809 0.00012158
-0.02162763 0.01955748 0.02904521
5.70587288 18.73851349 -5.76508976
-0.00123096 -0.00111906 0.00048977
0.01338029 0.00786563 0.00164334
8.97094893 6.40636769 -22.67261490
0.00082200 -0.00010893 0.00070538
-0.01532076 0.00896940 0.00202169
9.64537559 7.42188928 -20.04173286
-0.00009649 0.00008594 -0.00038802
0.02080244 0.01074894 0.02209426
19.61913308 20.19921791 -4.11671906
0.00064501 0.00021076 -0.00167389
-0.00681842 -0.00023094 0.00050351
20.88306271 19.62236862 -6.52640849
0.00046043 0.00024934 0.00077490
0.01922583 0.01060874 -0.02066913
1.92295683 12.99806904 -20.78148415
-0.00094512 -0.00009602 0.00046374
-0.00947382 -0.00612920 0.00918756
0.37891809 15.30545495 -21.93794719
-0.00089368 -0.00064542 -0.00011537
-0.00830393 -0.00682031 0.00407958
9.81303793 -7.08017404 -0.44928263
-0.00013952 0.00003227 -0.00001266
-0.01669134 -0.03761934 -0.01434100
9.28617048 -4.30647215 -0.35439945
0.00001427 -0.00013037 0.00010612
-0.01757987 0.02261307 -0.00777249
-17.02942793 -6.53345112 6.31116378
-0.00038275 -0.00005891 -0.00067141
0.00029815 0.00961551 -0.00634584
-18.04243788 -5.32838440 3.82940559
0.00039354 0.00002558 0.00085433
0.00520168 -0.00595550 0.00073408
-14.26340492 -0.94184780 18.97708465
0.00002841 -0.00018062 0.00115883
-0.00186570 -0.00054740 0.01679926
-15.04711010 -0.26589276 21.75503136
-0.00005217 0.00000765 -0.00109998
-0.00329860 0.00299579 0.00380733
-0.18283095 2.91339849 -3.41123762
-0.00016888 0.00006994 0.00087679
0.00960215 0.01153072 -0.01713762
0.93162732 2.23123649 -5.99322932
0.00073284 0.00029594 -0.00028516
0.00340347 0.01260729 0.01196379
20.02410332 -9.09366984 -5.71571384
-0.00058916 0.00017423 -0.00089572
0.02119443 0.00131092 0.00167154
22.84219712 -9.44304461 -4.16006376
0.00058198 0.00061647 0.00033656
-0.03566312 0.00156171 -0.01805848
4.62511279 -11.26662207 6.58993401
-0.00143130 0.00052621 0.00037459
-0.03011318 0.00686885 -0.00862697
2.50569535 -11.53998441 8.49026495
-0.00009404 0.00074820 -0.00033642
0.00176283 0.01418445 -0.02716593
-2.69080224 -3.12597315 -20.49429738
0.00048641 0.00041088 0.00060081
0.01711790 0.01963002 0.03103757
-2.68899404 -1.39493046 -17.89419254
-0.00078275 -0.00018706 0.00032041
-0.01019744 -0.00619581 0.00563357
1.22876444 5.74858549 -11.45387723
-0.00034479 0.00015743 -0.00051940
-0.03943912 -0.02001740 0.01872722
-0.95170177 4.31012568 -9.76261443
-0.00046492 0.00061501 -0.00063079
-0.00329822 -0.02001361 0.04396973
-4.08621575 16.70067970 14.82739208
-0.00059609 0.00025583 -0.00094056
-0.00825940 -0.02480469 -0.02505690
-6.64609087 16.02944234 13.75125674
0.00009725 0.00046254 -0.00058982
0.00556851 -0.00717171 -0.00394680
-5.44158602 2.09071269 -6.48736069
0.00063239 0.00028577 -0.00062810
-0.00106452 -0.00284448 -0.00183846
-5.55558197 2.14943264 -9.48284329
0.00075827 -0.00041673 0.00004433
0.00677071 0.01165735 0.01326049
-9.32162367 -1.53139434 -4.37528730
0.00052805 -0.00020334 -0.00046921
-0.01828151 -0.02788110 0.00864536
-9.35858446 1.16628030 -3.22090736
-0.00057773 -0.00025628 0.00100374
-0.02196570 0.01784553 0.02689966
2.42547372 29.11239253 4.34592512
0.00001525 -0.00042787 0.00053240
0.00692119 -0.02393815 0.03741080
2.47341427 28.26745196 7.36393685
-0.00105549 -0.00065188 -0.00004059
-0.00732415 0.01278075 0.00609893
7.15444644 -10.10030276 -3.12977736
-0.00118673 0.00078146 -0.00013253
0.02507715 0.01546646 0.02615911
8.89065424 -10.97161862 -0.85608028
0.00064571 -0.00028596 0.00006524
-0.00238710 0.00253905 -0.00871618
-5.49553999 -0.33707860 9.63114519
-0.00038102 0.00077196 -0.00001396
0.01104772 0.02600549 -0.00713280
-8.02321326 0.74570085 9.97323328
-0.00017244 -0.00000455 -0.00024721
-0.00435429 0.01481064 0.00218309
19.29027841 9.58852792 7.81713082
-0.00030909 0.00053711 -0.00105808
-0.00336060 -0.00294917 -0.01499946
21.38870150 10.24096321 6.04297146
-0.00085809 -0.00089402 0.00010751
0.04261643 0.01221188 -0.00608677
-2.94094964 0.54501158 -22.54061843
-0.00013002 0.00050464 0.00149407
-0.00122540 -0.00360053 0.01302456
-5.25779978 0.55372866 -24.41051422
0.00133253 -0.00056020 -0.00061717
0.01628237 0.00066940 0.00085633
-12.78387717 9.53935162 10.66541217
-0.00034099 0.00008524 -0.00005742
0.00371374 -0.00335739 0.00146862
-13.48529162 9.55023710 8.00258123
-0.00060680 -0.00023992 0.00017862
-0.00679351 -0.00106566 -0.01175780
-13.77070863 4.17878308 -4.90418705
0.00010182 -0.00091993 -0.00073893
0.00519814 0.01158769 0.01544535
-14.95861412 6.74570509 -4.98262245
-0.00011935 -0.00071361 0.00021422
-0.00029208 -0.00156455 0.01643005
-5.32136382 -16.11228284 21.22433255
-0.00045682 0.00004016 -0.00079470
-0.00879177 -0.00289045 -0.00408045
-3.01273941 -15.41082393 19.63031478
0.00010512 0.00028371 0.00000550
0.00571789 -0.00100641 -0.01567835
-6.52598829 6.75499805 -6.58065256
0.00000867 0.00070167 -0.00013630
-0.00036424 -0.00305820 0.00437409
-7.52720500 9.36776839 -5.36916057
-0.00124289 -0.00032497 -0.00036081
0.00628340 -0.01113379 -0.01630499
-20.78858140 31.03157104 -0.04409626
-0.00068696 -0.00039558 0.00071979
-0.00623517 0.00126563 -0.00716957
-17.98103593 30.62884938 0.87823841
0.00083233 -0.00064944 -0.00090593
-0.01503490 -0.00563434 0.00203325
9.14439450 3.08786379 6.85960920
0.00024131 0.00051632 0.00108170
-0.01283027 -0.01279519 -0.01183968
9.83427600 5.43997280 8.40134356
-0.00067752 0.00115164 0.00027734
0.00391898 -0.01613670 0.00239675
8.51535873 17.89817548 -12.38339703
-0.00015471 -0.00008043 0.00046364
-0.00618500 -0.02251097 0.00265701
8.62058485 15.19531314 -11.25365307
0.00015040 -0.00034998 -0.00024104
0.00495980 0.00240201 -0.00331112
12.76130952 5.57956639 0.10276858
0.00077551 -0.00023569 -0.00089575
0.01045067 0.00325587 -0.00536624
14.37177872 3.31632676 0.78898553
0.00039214 -0.00078223 0.00025892
-0.00918463 0.01453711 -0.02129738
-4.65677379 11.73852943 -2.69276986
0.00012798 -0.00009857 -0.00033292
0.04039668 -0.00846936 -0.04342165
-5.47662535 10.26954529 -0.42018193
0.00062753 -0.00038767 -0.00143399
0.00340396 0.00171985 -0.00688674
7.83907269 13.17036393 4.75768162
-0.00064265 -0.00003162 0.00001587
-0.01204570 0.05125649 -0.00645848
10.08849861 11.39849364 4.54376252
0.00025956 -0.00035971 0.00013635
0.01458512 -0.00411045 -0.00424988
18.75977047 -11.22506127 -9.09309881
0.00043309 0.00106236 0.00092113
-0.00807427 -0.00293452 0.01148424
20.65024095 -12.87742820 -10.61513395
0.00047689 -0.00110004 0.00035451
-0.01102947 0.01747991 0.00699099
18.88641127 -5.03899993 -1.77337982
0.00030101 0.00090451 -0.00008059
0.00309699 0.00568263 -0.02193180
18.15836792 -7.40506836 -0.31273100
0.00045559 0.00043904 0.00038057
0.00829935 0.00587080 0.00463300
15.10686243 9.21173233 9.33298861
-0.00039778 -0.00085295 0.00008146
-0.00154701 -0.00291240 -0.00026778
16.57109424 7.68953967 11.30209799
0.00006496 0.00063874 -0.00036422
0.00141011 -0.00134731 0.00894723
2.65212407 -15.67380660 17.53703882
0.00020788 0.00024535 0.00081300
0.01121073 -0.01203318 -0.01801015
3.33504303 -12.93998072 17.32392938
-0.00073954 -0.00052216 0.00020157
0.01715912 -0.01785825 -0.02256113
-4.12973518 -4.30554416 -13.62523550
-0.00067011 0.00024976 -0.00034657
-0.00658471 -0.00656109 0.00228028
-1.92307118 -2.28662072 -13.36215065
-0.00086003 0.00008856 -0.00018296
-0.00889167 -0.00183762 -0.00204009
16.02901794 -7.37036223 -14.92074442
-0.00016239 0.00039474 0.00019876
0.00432195 -0.00201462 0.00818854
17.19394832 -7.63619607 -12.07708583
0.00000612 0.00078498 0.00014411
-0.00669431 0.00859792 -0.00732163
9.52133271 -4.42136381 5.01143720
-0.00089255 0.00061948 0.00121786
-0.00919199 -0.00133250 0.00050476
12.28688444 -4.65201892 5.75022613
0.00097824 0.00068703 0.00034366
-0.01650013 0.00676394 0.00622335
-21.16617510 0.03904278 24.52859657
-0.00018541 -0.00036973 -0.00000663
0.02938495 -0.00433402 0.01374197
-20.14450263 2.48641091 25.42868838
-0.00008139 0.00033046 -0.00096795
-0.00095802 0.02744795 0.01103866
24.57738147 -2.49903946 -7.16627156
-0.00000801 -0.00015385 0.00050838
0.00730443 0.00218647 0.00361404
24.11225843 -0.60118354 -9.27697187
-0.00015592 -0.00045662 0.00076615
-0.00215063 0.00800434 -0.00814294
12.52784623 -10.29309954 -9.72185153
-0.00036469 -0.00007579 0.00039811
-0.01421156 0.01786825 -0.02059592
12.47312374 -8.42919714 -12.12021877
0.00006293 0.00000111 0.00003363
-0.01012124 -0.01902507 0.01278496
-9.37872964 -9.10792072 18.26866190
0.00006070 -0.00018767 0.00009930
0.00671940 -0.00680534 -0.00683899
-11.58092051 -9.78351923 16.68689558
-0.00082659 0.00141587 0.00060875
0.02339288 -0.00657717 -0.00020024
8.37286711 0.37015085 -30.10570180
-0.00020237 -0.00066122 0.00003417
0.01295081 0.00505312 0.00507865
5.70839682 0.81143374 -29.11388967
-0.00041181 -0.00065010 -0.00072066
0.00519244 -0.00847515 0.00900251
12.46056902 19.61231952 12.50841606
0.00018115 -0.00065592 -0.00010994
0.00677863 -0.01741731 -0.00828695
13.79782720 17.33440181 10.82688483
-0.00114821 0.00014975 -0.00065533
-0.01999915 0.01921687 0.02265624
27.71952463 7.71255764 -11.53892651
-0.00035531 -0.00001158 0.00033265
0.00555439 -0.00092692 -0.01211513
25.92974817 7.30619037 -9.32913566
-0.00061545 -0.00074839 -0.00021110
-0.00497625 0.00380732 0.01146005
-7.11716042 4.57970989 6.68809479
0.00028052 -0.00009061 -0.00005911
-0.00185730 -0.00566818 -0.00536568
-8.93726593 8.73522658 3.87660222
0.00022606 -0.00009459 0.00001767
-0.00155564 -0.00691920 -0.00381746
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08017703
0.30393649
404.98013946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1662952948
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3727686967 (a.u.)
total exchange computation time: 3.1101560593 s
-154.0586372184
-931.38524278
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1662952948
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3727384996 (a.u.)
total exchange computation time: 3.1102631092 s
-154.0597511861
Anderson extrapolation: theta=1.3484498452 (1.3484498452)
-931.38544636
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3728739450 (a.u.)
total exchange computation time: 3.1949560642 s
-154.0622333908
Anderson extrapolation: theta=0.0023082383 (0.0023082383)
-931.38582717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3727971519 (a.u.)
total exchange computation time: 3.1958608627 s
-154.0628985522
Anderson extrapolation: theta=2.3547065159 (2.0000000000)
-931.38583297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3726126792 (a.u.)
total exchange computation time: 3.1968431473 s
-154.0644570765
Anderson extrapolation: theta=0.3478810642 (0.3478810642)
-931.38584072
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3725375318 (a.u.)
total exchange computation time: 3.1944620609 s
-154.0650510255
Anderson extrapolation: theta=1.0227139613 (1.0227139613)
-931.38584247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3724672509 (a.u.)
total exchange computation time: 3.1967461109 s
-154.0655611888
Anderson extrapolation: theta=0.5758346948 (0.5758346948)
-931.38584378
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3724387639 (a.u.)
total exchange computation time: 3.1956059933 s
-154.0657207932
Anderson extrapolation: theta=0.8145584800 (0.8145584800)
-931.38584436
73.540355 67.783222 -294.884567
546.407133 1079.878345 -416.229048
619.947488 1147.661566 -711.113616
1485.646167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3724274263 (a.u.)
total exchange computation time: 3.1962559223 s
678.82056123
-1083.66034209
89.79772600
-389.16104742
-174.81031498
78.21139250
551.60419304
0.00000000
-931.38584468
3.65039025 -31.31767505 -3.82808172
-0.00037713 0.00028402 -0.00000413
0.00405935 -0.01669703 -0.02441108
-11.15891354 2.22584703 -9.33997620
-0.00001629 -0.00007214 -0.00011033
-0.02055063 -0.02451967 0.00180214
-37.05852456 1.92371504 3.96410791
0.00014395 0.00013395 0.00012782
-0.00072803 -0.00878849 0.00065218
-7.72451603 -3.62616745 2.98858063
0.00003478 -0.00006942 -0.00027735
-0.00410182 0.01071694 0.00496701
2.29043990 -0.04267496 9.69165451
0.00015804 0.00025836 -0.00006486
0.02108992 -0.03905571 0.01413003
-31.27246638 1.39138559 3.50105263
-0.00015187 0.00015930 -0.00008198
0.02508112 -0.00338276 0.00327328
16.44079539 13.24411652 -17.68941999
0.00014523 -0.00032702 -0.00001561
0.00202682 -0.02652919 -0.01906790
-3.27220242 4.91311621 4.17632694
-0.00023072 -0.00014733 -0.00057479
0.00565221 0.01826428 0.02941134
4.83723528 17.38184261 -6.57845232
0.00014104 0.00006964 -0.00027882
0.00322459 -0.03890645 -0.04048417
8.29285909 7.32873355 -21.20130711
0.00001855 0.00049931 -0.00021106
-0.01568075 -0.01495604 -0.02888137
19.80566312 18.83246467 -5.35490494
0.00051791 -0.00005453 0.00013480
-0.01585952 -0.01033468 0.01696469
2.03114942 14.67895397 -21.41891062
0.00013447 -0.00004730 0.00008581
0.00870845 0.01071868 -0.00886452
10.49968413 -5.54767408 0.06330227
0.00011549 0.00004773 -0.00013115
0.04254114 0.02460230 0.02632792
-16.51856493 -5.55065584 4.83148407
0.00016343 -0.00007341 -0.00022630
-0.00292034 -0.00563359 0.00869042
-14.22738525 -1.53342779 20.75263370
0.00009194 0.00007721 -0.00005799
0.00244652 0.00010234 -0.01602163
0.82430842 3.66730589 -4.79653454
-0.00048111 -0.00007773 -0.00016975
-0.01817914 -0.02476986 0.01558542
20.91649665 -9.57921641 -4.19442465
-0.00033034 0.00006619 -0.00030012
0.00681348 -0.00557208 0.00426338
2.78141091 -10.83674642 6.74184990
0.00008346 -0.00013445 -0.00002070
0.02025571 -0.01507149 0.03636531
-1.81250145 -1.77838972 -19.42318476
-0.00022403 -0.00027192 0.00010329
-0.00598192 -0.00965092 -0.03170950
-0.60712607 5.13764709 -11.25771238
0.00013821 0.00033745 0.00002448
0.03176967 0.04377059 -0.06433918
-4.88510249 15.47410019 13.56115896
0.00009590 0.00010385 0.00052613
0.00428908 0.02738212 0.04396333
-4.96608598 3.08810047 -7.94016230
-0.00007081 0.00011691 -0.00046081
-0.00298529 0.00219253 -0.00406529
-8.63963344 0.08629523 -4.40944159
0.00021884 -0.00021974 0.00021446
0.04125602 0.01927056 -0.02410164
2.96999107 27.83664482 5.69786824
0.00015743 -0.00019162 -0.00022741
0.00076488 0.00493844 -0.04120787
8.69361608 -9.60368601 -2.09360265
-0.00009116 0.00007868 0.00002352
-0.03526391 -0.03005536 -0.01315942
-6.30171100 1.39992714 9.92602266
0.00034725 -0.00005481 0.00035090
-0.01362146 -0.04473729 -0.00854099
19.76176044 9.56650374 6.00247475
0.00018968 -0.00005930 -0.00027229
-0.04092053 -0.00853620 0.02121228
-3.40032923 0.61891828 -24.29524976
-0.00020962 -0.00016253 -0.00012702
-0.00089362 -0.00061239 0.00003365
-13.63463614 8.44502033 9.46275945
-0.00003775 0.00012154 -0.00014635
0.00114800 0.00267884 0.00597834
-13.79626109 5.76349602 -3.91103961
0.00027440 0.00002484 0.00005903
0.00081702 -0.02522899 -0.03225553
-3.79627247 -15.08537971 21.21073246
0.00009221 0.00013579 0.00026787
0.00121279 0.00004170 0.01582914
-6.31737044 8.56204441 -6.53304538
-0.00021215 0.00011622 0.00033166
-0.00032283 0.01535225 0.00222662
-19.77777926 30.32726544 1.26682703
-0.00001358 0.00031589 0.00016918
0.03025940 0.00341731 0.00443783
10.30258767 3.63048893 8.13399243
-0.00017918 0.00005967 -0.00021174
0.01073702 0.03998136 0.01774310
7.44334441 16.50915497 -11.74032701
-0.00018852 0.00008493 0.00001711
-0.00569129 0.00992514 0.01009537
14.04828670 4.51684978 -0.66602536
-0.00006347 -0.00022636 0.00059626
0.00552227 -0.03117301 0.02313031
-5.70089130 11.86224652 -1.30949446
-0.00049613 0.00004644 0.00014049
-0.03568347 0.01604270 0.04022198
8.33056267 11.49432785 4.93095823
0.00030622 -0.00072982 -0.00006673
-0.00894346 -0.03529666 0.01335671
19.85938247 -11.17038470 -10.52619815
0.00005744 0.00012789 -0.00039359
0.02052899 -0.02702517 -0.01304272
19.22589754 -5.84031543 -0.20788108
0.00013327 0.00013656 0.00019201
-0.01200370 -0.01076849 0.01271160
15.93783808 7.61013982 9.61058128
-0.00019811 -0.00012887 0.00006596
-0.00487201 0.00281153 -0.00688317
3.84801824 -14.61182956 16.57383189
-0.00014723 -0.00011585 -0.00004700
-0.02480334 0.03534749 0.02723929
-3.66429497 -2.54423674 -13.91983495
-0.00031559 -0.00014692 -0.00034256
0.01979935 0.02863121 -0.00090404
16.24632245 -6.52222674 -13.22554979
0.00023647 0.00035999 0.00028573
-0.01150368 -0.02380374 -0.01497335
10.57883856 -4.42513388 6.49372641
-0.00014449 -0.00024758 0.00022495
0.03330239 -0.00257708 -0.00417065
-19.52817740 0.83862195 25.11013983
-0.00009048 0.00014031 0.00031901
-0.03844613 -0.02267561 -0.01974763
24.05051626 -0.74978433 -7.44713184
-0.00011464 0.00009166 0.00007551
-0.00576467 -0.00781807 0.00358340
11.49602311 -9.75030342 -11.21812314
0.00010181 0.00009484 0.00010664
0.02510024 -0.00000619 0.01446742
-9.71730683 -9.94919715 16.66704517
0.00006031 -0.00000711 0.00031863
-0.03031215 0.01357719 0.00394972
7.36405207 0.15804555 -28.58939606
0.00002700 -0.00040420 -0.00009721
-0.02285270 0.00633519 -0.00589599
12.58055125 17.77813954 12.25249244
0.00001926 0.00013597 0.00006051
0.01757101 0.00008971 -0.01366550
25.94253309 7.44193795 -11.15276372
0.00021543 0.00027352 -0.00009331
-0.00270117 0.00330742 0.00398814
3.71848488 -29.81493541 -4.89431553
0.00066824 0.00074541 -0.00017971
0.00867680 0.00597622 -0.00097870
3.36813391 -30.72217371 -2.14586679
-0.00016819 0.00072474 -0.00023404
-0.00268365 0.01534791 0.02707657
-9.71695458 3.13403179 -8.82661751
-0.00034056 -0.00113737 -0.00052982
0.01796894 0.01109364 0.00631792
-11.56485787 2.63470905 -11.08268972
-0.00018680 0.00001576 0.00070032
0.00116152 0.00855169 -0.01018322
-36.84814993 3.46262071 3.04444981
0.00063967 0.00036350 -0.00052877
-0.00502105 0.01335813 -0.00509011
-38.89531543 1.50323894 3.76680225
0.00124254 0.00043446 0.00092211
0.01967269 -0.00100833 0.00163364
-9.07662498 -4.01488602 1.78875399
-0.00053706 -0.00115798 0.00079110
0.00407792 -0.01263791 -0.00303202
-6.28528073 -4.67943939 2.63945982
0.00007956 -0.00026463 -0.00007303
-0.00330459 -0.00609222 -0.00288794
3.48093708 -1.32034123 9.02585652
0.00053987 -0.00072805 -0.00068317
-0.01486759 0.01898646 0.00175576
1.81247403 1.01726145 8.34695053
-0.00075459 -0.00059036 0.00007503
-0.00436377 0.01687570 -0.02078867
-30.83529914 -0.39430059 3.82236649
0.00019660 -0.00074811 0.00021732
-0.00264992 0.00943275 -0.00767231
-33.05637609 1.50224878 3.32748031
0.00009745 -0.00083270 0.00106315
-0.01820108 -0.00618745 0.00232490
15.49358996 11.83624060 -18.66281053
0.00014609 0.00119846 0.00016220
0.00965715 0.03200370 0.02705361
17.98485041 12.27512327 -17.26101767
0.00012593 0.00015979 -0.00000445
-0.01170033 0.00632045 -0.00184534
-2.79421325 6.52450402 5.11239156
0.00076320 -0.00027383 -0.00062227
-0.00261241 -0.02699042 -0.01324063
-3.79488211 5.65635494 2.62679281
0.00050038 0.00015559 0.00015792
-0.00037540 0.00278347 -0.01932866
5.89630599 16.85540546 -8.11859528
-0.00010474 0.00089584 0.00023527
-0.01976428 0.01849875 0.02660689
5.68781854 18.72196866 -5.75769278
-0.00116583 -0.00107176 0.00050582
0.01850014 0.01528873 0.00621027
8.98280940 6.40500865 -22.66197224
0.00075829 -0.00007283 0.00071088
-0.01586321 0.00870164 0.00067206
9.64456576 7.42350769 -20.04687619
-0.00000959 0.00013098 -0.00029378
0.02173280 0.01130030 0.02404005
19.62859933 20.20237228 -4.14181194
0.00061372 0.00021861 -0.00165942
-0.00850157 0.00407110 0.00657882
20.89055833 19.62643382 -6.51541828
0.00054267 0.00029258 0.00068473
0.02102926 0.01055710 -0.02347122
1.90848977 12.99644099 -20.77424658
-0.00098133 -0.00011778 0.00049981
-0.00825059 -0.00452686 0.00847241
0.36525839 15.29556468 -21.93955273
-0.00091737 -0.00067444 -0.00009624
-0.00328887 -0.00738597 0.00528548
9.81043364 -7.08084283 -0.44991202
-0.00020659 -0.00011946 -0.00007022
-0.01613710 -0.03664969 -0.01383183
9.28584577 -4.30773484 -0.35304590
-0.00005775 -0.00003734 0.00007451
-0.01767278 0.02293009 -0.00769714
-17.03515998 -6.53404017 6.30089817
-0.00038060 -0.00002160 -0.00069351
0.00075437 0.00864750 -0.00447023
-18.03637538 -5.32818322 3.84224308
0.00040544 0.00000392 0.00084875
0.00062268 -0.00464838 -0.00346455
-14.26303593 -0.94457382 18.99498185
0.00002161 -0.00017939 0.00121067
-0.00146106 0.00114547 0.00857767
-15.04799375 -0.26568616 21.73864839
-0.00006977 0.00002553 -0.00107754
-0.00531616 0.00575301 0.00717275
-0.18506988 2.91480089 -3.39861094
-0.00012620 0.00011774 0.00079954
0.01129111 0.01186911 -0.02067557
0.94272422 2.23606187 -5.99714007
0.00074485 0.00034503 -0.00023549
0.00247356 0.01142336 0.01234894
20.01591543 -9.09101626 -5.72909839
-0.00049788 0.00017766 -0.00088088
0.02348713 0.00037040 0.00558955
22.84983401 -9.43374968 -4.15556871
0.00042863 0.00062196 0.00026171
-0.03940219 0.00112388 -0.01858094
4.60272052 -11.25851839 6.59528856
-0.00153359 0.00054925 0.00033677
-0.01996076 0.00440834 -0.00988733
2.50433878 -11.52832679 8.48438623
-0.00008858 0.00080323 -0.00044067
0.00090901 0.01275647 -0.02386639
-2.68298151 -3.11920837 -20.48433408
0.00055074 0.00048320 0.00072107
0.01437103 0.01577054 0.02782701
-2.70104772 -1.39792618 -17.88921377
-0.00081999 -0.00021400 0.00033670
-0.00803103 -0.00699085 0.00234098
1.22238400 5.75033356 -11.46109444
-0.00050124 0.00007663 -0.00044182
-0.03714395 -0.01953649 0.01925324
-0.95877666 4.31873751 -9.77072891
-0.00048002 0.00052821 -0.00044181
-0.00409348 -0.02247269 0.04853539
-4.09541026 16.70375701 14.81251580
-0.00062401 0.00016119 -0.00103434
-0.00540628 -0.02152304 -0.02084643
-6.64446144 16.03616075 13.74228855
0.00011917 0.00043298 -0.00060567
0.00516203 -0.00730022 -0.00381558
-5.43213285 2.09491202 -6.49683846
0.00062649 0.00027098 -0.00062982
-0.00182276 -0.00439466 0.00099541
-5.54400043 2.14353887 -9.48177198
0.00078398 -0.00037041 0.00009512
0.00581287 0.01101837 0.01159965
-9.31426306 -1.53529884 -4.38206054
0.00045247 -0.00031917 -0.00043394
-0.01871785 -0.02881501 0.00862078
-9.36792353 1.16298298 -3.20502700
-0.00065991 -0.00019468 0.00110160
-0.01826303 0.01230680 0.02100584
2.42591454 29.10524093 4.35505745
0.00004197 -0.00052106 0.00067937
0.00615903 -0.02168039 0.03453231
2.45735743 28.25806534 7.36351495
-0.00108306 -0.00060210 -0.00002256
-0.00616809 0.01158916 0.00272610
7.13741387 -10.08810690 -3.13096376
-0.00107789 0.00084450 -0.00002069
0.02820182 0.01539226 0.02858997
8.90026673 -10.97583024 -0.85536877
0.00063384 -0.00027243 0.00002550
-0.00342184 0.00408723 -0.01073455
-5.50091678 -0.32470233 9.63071724
-0.00033171 0.00086982 -0.00004395
0.01309243 0.02189958 -0.00754601
-8.02593335 0.74608651 9.96959205
-0.00018409 0.00005867 -0.00023809
-0.00134757 0.01613391 0.00228114
19.28553907 9.59649417 7.80080001
-0.00032541 0.00052440 -0.00111075
-0.00462916 -0.00327372 -0.01078298
21.37713608 10.22792707 6.04439753
-0.00066171 -0.00083517 0.00008260
0.05350940 0.01659936 -0.00610678
-2.94293750 0.55247078 -22.51780827
-0.00014156 0.00049042 0.00152269
-0.00442334 -0.00335835 0.00098357
-5.23731287 0.54534621 -24.41974557
0.00137719 -0.00055787 -0.00061420
0.00558004 0.00047101 0.00060012
-12.78887816 9.54052733 10.66459587
-0.00032488 0.00007229 -0.00005087
0.00417093 -0.00297922 0.00173521
-13.49460174 9.54660559 8.00490025
-0.00063357 -0.00023956 0.00012432
-0.00631137 0.00124160 -0.01482392
-13.76902208 4.16533926 -4.91479768
0.00012319 -0.00085987 -0.00066755
0.00526432 0.01780839 0.01949358
-14.96041334 6.73495303 -4.97890570
-0.00012246 -0.00071707 0.00027944
-0.00122996 -0.00013160 0.01549547
-5.32848551 -16.11176898 21.21228706
-0.00048718 0.00003220 -0.00080981
-0.00606988 -0.00100458 -0.00331853
-3.01098747 -15.40659905 19.62991685
0.00012732 0.00028088 -0.00005504
0.00515288 -0.00037984 -0.01395489
-6.52586935 6.76542946 -6.58256305
0.00000595 0.00067948 -0.00011906
-0.00096760 -0.00780535 0.00406571
-7.54565588 9.36255272 -5.37507229
-0.00121646 -0.00036972 -0.00042725
0.00665465 -0.01077408 -0.01621896
-20.79907683 31.02567609 -0.03351916
-0.00071410 -0.00038830 0.00068628
-0.00704885 0.00230076 -0.00923221
-17.96901166 30.61893509 0.86471184
0.00075898 -0.00067325 -0.00089540
-0.02087338 -0.00601998 0.00311834
9.14762104 3.09521654 6.87547188
0.00017548 0.00045784 0.00101823
-0.01939461 -0.01583186 -0.01923103
9.82423331 5.45675286 8.40557707
-0.00065771 0.00107270 0.00028512
0.00577535 -0.02250240 0.00141416
8.51284857 17.89627921 -12.37636107
-0.00017788 -0.00016906 0.00047281
-0.00515928 -0.02087216 0.00183300
8.62299286 15.19013700 -11.25737008
0.00016583 -0.00033544 -0.00025618
0.00259098 0.00471465 -0.00410060
12.77326235 5.57613078 0.08916790
0.00080563 -0.00021310 -0.00090816
0.00429467 0.00780151 -0.00070952
14.37737938 3.30503881 0.79221671
0.00035217 -0.00071988 0.00017177
-0.01037927 0.01598179 -0.02136122
-4.65361616 11.73679137 -2.69909422
0.00028194 -0.00012901 -0.00049709
0.03496614 -0.00643142 -0.03694262
-5.46710812 10.26378292 -0.44190287
0.00064031 -0.00038438 -0.00145740
0.00285491 -0.00010994 -0.00456869
7.82906377 13.17146025 4.75772179
-0.00068524 0.00015755 -0.00000879
-0.00880048 0.04134589 -0.00561392
10.09283891 11.39297200 4.54567759
0.00032055 -0.00037555 0.00011858
0.01526993 -0.00364027 -0.00444798
18.76601937 -11.20921574 -9.07892997
0.00040849 0.00105013 0.00095707
-0.00396493 -0.00305293 0.00610904
20.65705624 -12.89339316 -10.60960205
0.00042519 -0.00101530 0.00038344
-0.01427695 0.02400195 0.00717008
18.89102133 -5.02525820 -1.77526080
0.00031504 0.00092214 -0.00016103
0.00377009 0.00295084 -0.01744008
18.16545615 -7.39830291 -0.30688049
0.00048644 0.00045955 0.00039777
0.00679763 0.00416961 0.00378446
15.10084833 9.19884877 9.33420237
-0.00040833 -0.00085714 0.00007824
-0.00361852 0.00086312 -0.00131072
16.57211191 7.69907941 11.29690878
0.00007273 0.00063291 -0.00032362
0.00239106 -0.00150624 0.01093087
2.65558574 -15.67049508 17.54868188
0.00025378 0.00019443 0.00073844
0.01126128 -0.01289163 -0.01848794
3.32447580 -12.94836037 17.32626152
-0.00066867 -0.00059227 0.00010899
0.01753045 -0.01646144 -0.02275435
-4.13998854 -4.30199879 -13.63036416
-0.00069698 0.00021929 -0.00033630
-0.00657072 -0.00835421 0.00274473
-1.93624405 -2.28534866 -13.36495753
-0.00089013 0.00008119 -0.00018940
-0.00584334 -0.00176977 -0.00111530
16.02671450 -7.36450286 -14.91751215
-0.00014388 0.00038657 0.00023386
0.00473892 -0.00198438 0.00899290
17.19383493 -7.62415798 -12.07514861
-0.00001784 0.00081559 0.00011799
-0.00503324 0.00638695 -0.00545993
9.50766281 -4.41211239 5.02972058
-0.00093089 0.00061351 0.00121416
-0.00957780 -0.00159136 -0.00231623
12.30105240 -4.64150617 5.75557180
0.00089874 0.00071534 0.00037054
-0.02241543 0.00709060 0.00693248
-21.16805580 0.03336409 24.52891828
-0.00006184 -0.00038454 0.00005141
0.03110419 -0.00291800 0.01466646
-20.14575284 2.49220885 25.41450745
-0.00008527 0.00044212 -0.00092319
-0.00093945 0.02721167 0.01087029
24.57748510 -2.50128029 -7.15853516
0.00002039 -0.00014033 0.00052214
0.00659891 0.00443235 0.00312439
24.10985375 -0.60778752 -9.26572908
-0.00016452 -0.00042315 0.00072254
-0.00205834 0.00837710 -0.01320746
12.52194037 -10.29368888 -9.71651099
-0.00042189 -0.00000234 0.00031384
-0.01378683 0.01808894 -0.02065381
12.47375753 -8.42976346 -12.11932259
0.00002255 -0.00007622 0.00008582
-0.00964470 -0.01882695 0.01276497
-9.37761316 -9.11094436 18.26994184
0.00009002 -0.00021366 0.00007546
0.00763221 -0.00591708 -0.00483084
-11.59260248 -9.76248277 16.69602077
-0.00071889 0.00138667 0.00060740
0.02932709 -0.00771471 -0.00046201
8.37022848 0.36038742 -30.10503368
-0.00014740 -0.00064033 0.00005194
0.01395297 0.00516942 0.00362145
5.70237871 0.80142260 -29.12442371
-0.00038472 -0.00068682 -0.00068170
0.00807097 -0.00950248 0.01006679
12.46349404 19.60194704 12.50651305
0.00020758 -0.00071492 -0.00014203
0.00615688 -0.01146476 -0.00742438
13.77999129 17.33723699 10.81774912
-0.00122764 0.00022743 -0.00056372
-0.01888531 0.01880519 0.02218956
27.71436515 7.71235546 -11.53430798
-0.00032394 -0.00001406 0.00028190
0.00980504 -0.00028512 -0.01272970
25.92036398 7.29508113 -9.33195104
-0.00063479 -0.00073243 -0.00016461
-0.00449330 0.00400737 0.01129822
-7.11295759 4.57833554 6.68719371
0.00027982 -0.00009260 -0.00006105
-0.00208558 -0.00547997 -0.00545077
-8.93387766 8.73379576 3.87686067
0.00022568 -0.00009620 0.00001680
-0.00173054 -0.00701474 -0.00371075
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08033661
0.30550807
407.07418670
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3846069491 (a.u.)
total exchange computation time: 3.1937849522 s
-154.0997972342
-931.38533554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.3844588353 (a.u.)
total exchange computation time: 3.1960699558 s
-154.1017794587
Anderson extrapolation: theta=1.3564962010 (1.3564962010)
-931.38553927
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3841699790 (a.u.)
total exchange computation time: 3.1958980560 s
-154.1052028541
Anderson extrapolation: theta=0.0554264851 (0.0554264851)
-931.38566305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3840845383 (a.u.)
total exchange computation time: 3.1948401928 s
-154.1060071198
Anderson extrapolation: theta=2.0189082027 (2.0000000000)
-931.38566830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3838957870 (a.u.)
total exchange computation time: 3.1993629932 s
-154.1077297932
Anderson extrapolation: theta=0.2374442910 (0.2374442910)
-931.38567433
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3838492790 (a.u.)
total exchange computation time: 3.1961028576 s
-154.1081169965
Anderson extrapolation: theta=1.7594299082 (1.7594299082)
-931.38567559
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3837872858 (a.u.)
total exchange computation time: 3.1957378387 s
-154.1086005812
Anderson extrapolation: theta=0.2875520626 (0.2875520626)
-931.38567713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3837885270 (a.u.)
total exchange computation time: 3.1969609261 s
-154.1085573913
Anderson extrapolation: theta=1.2543830829 (1.2543830829)
-931.38567753
73.574115 67.767310 -294.830142
546.344748 1079.902253 -416.224897
619.918864 1147.669563 -711.055039
1485.612363
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1669010276
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3838029476 (a.u.)
total exchange computation time: 3.1955058575 s
678.99072641
-1084.03541628
89.78846343
-388.90617971
-174.83946875
78.41839611
551.60419304
0.00000000
-931.38567786
3.64474892 -31.31347909 -3.82823790
-0.00037498 0.00027629 -0.00001726
0.00432968 -0.01337861 -0.02664890
-11.15923718 2.22467030 -9.34162417
-0.00002824 -0.00008600 -0.00010887
-0.02592788 -0.02935824 0.00387156
-37.05636819 1.92569038 3.96602777
0.00014549 0.00013088 0.00012772
0.00673359 -0.00315458 -0.00103779
-7.72401009 -3.62716747 2.98443958
0.00003289 -0.00006404 -0.00027465
-0.00324704 0.01021338 0.00553206
2.29289190 -0.03895023 9.69073605
0.00017023 0.00023668 -0.00005759
0.02628214 -0.04523854 0.01415015
-31.27464775 1.39376199 3.49983549
-0.00013784 0.00015577 -0.00007990
0.02948226 -0.01033785 0.00484634
16.44298169 13.23910888 -17.68972768
0.00014654 -0.00033909 -0.00002468
0.00307676 -0.02040849 -0.01619825
-3.27564149 4.91097675 4.16781852
-0.00022719 -0.00013839 -0.00055834
0.00808789 0.01647172 0.03457680
4.83936333 17.38273708 -6.58279081
0.00014090 0.00004818 -0.00029985
-0.00378991 -0.04453837 -0.04127464
8.29307685 7.33616552 -21.20458446
0.00001060 0.00049164 -0.00022573
-0.01522785 -0.01487033 -0.02816373
19.81337059 18.83160679 -5.35281744
0.00050992 -0.00006089 0.00014250
-0.01519204 -0.01439114 0.01296407
2.03320012 14.67828585 -21.41765763
0.00013735 -0.00004214 0.00008113
0.00247070 0.00934054 -0.00932323
10.50158055 -5.54686329 0.06143654
0.00013689 0.00005979 -0.00011794
0.04066492 0.02229241 0.02504108
-16.51612478 -5.55177877 4.82812313
0.00016306 -0.00007637 -0.00022127
0.00148728 -0.00585464 0.01087789
-14.22599668 -1.53226921 20.75170204
0.00009356 0.00007608 -0.00006467
0.00382921 -0.00451913 -0.00995976
0.81702163 3.66604434 -4.79902068
-0.00049059 -0.00009006 -0.00016099
-0.01869611 -0.02315611 0.01848330
20.91156790 -9.57824504 -4.19891000
-0.00032659 0.00006363 -0.00029871
0.00776942 -0.00437145 0.00122158
2.78274096 -10.83882137 6.74167972
0.00009107 -0.00014104 -0.00000273
0.00932074 -0.01053682 0.03351177
-1.81588503 -1.78250572 -19.42175779
-0.00022685 -0.00027535 0.00008893
-0.00497803 -0.00370378 -0.02412596
-0.60493031 5.14287767 -11.25759341
0.00015377 0.00036001 -0.00000917
0.02873488 0.04396068 -0.06651622
-4.88364750 15.47576361 13.56922054
0.00009735 0.00011688 0.00054735
0.00134456 0.02328625 0.03852445
-4.96715969 3.08986262 -7.94709009
-0.00007187 0.00011872 -0.00046293
-0.00111205 0.00482866 -0.00420617
-8.63619171 0.08307340 -4.40631763
0.00023893 -0.00020846 0.00020371
0.03688307 0.02459232 -0.01770905
2.97235545 27.83378955 5.69429819
0.00015778 -0.00018947 -0.00024664
0.00061027 0.00344391 -0.03359839
8.69211267 -9.60262167 -2.09330062
-0.00010966 0.00006301 0.00001673
-0.03669345 -0.03089355 -0.01323006
-6.29655472 1.39893241 9.93125319
0.00033887 -0.00007688 0.00034648
-0.01898526 -0.04107134 -0.00862459
19.76444778 9.56558135 5.99847228
0.00016670 -0.00006459 -0.00026258
-0.04843865 -0.01203057 0.01652877
-3.40347704 0.61647791 -24.29715500
-0.00020629 -0.00016275 -0.00012398
0.01384522 -0.00021575 0.01178842
-13.63519798 8.44685383 9.46058731
-0.00003731 0.00012222 -0.00014267
0.00056743 -0.00004706 0.00832286
-13.79214200 5.76377124 -3.91027857
0.00027509 0.00001014 0.00004182
0.00186794 -0.03193022 -0.03467951
-3.79488461 -15.08334269 21.21481154
0.00009229 0.00013511 0.00027525
-0.00090916 -0.00269840 0.01287285
-6.32055393 8.56384695 -6.52806185
-0.00021221 0.00012516 0.00033286
0.00008556 0.01938765 0.00244603
-19.77786621 30.33201700 1.26938186
0.00000338 0.00031749 0.00017163
0.03566777 0.00279351 0.00507489
10.29994143 3.63153818 8.13088477
-0.00017238 0.00008239 -0.00020053
0.01568194 0.04838739 0.02583206
7.44049460 16.51046718 -11.74003149
-0.00019119 0.00008893 0.00002275
-0.00469243 0.00565503 0.01186200
14.04735599 4.51333407 -0.65699219
-0.00005869 -0.00024383 0.00060675
0.01306929 -0.03674053 0.01764644
-5.70847094 11.86300498 -1.30723200
-0.00051263 0.00005455 0.00015855
-0.02846621 0.01549485 0.03002317
8.33512150 11.48324441 4.93000875
0.00030062 -0.00074518 -0.00006009
-0.01285458 -0.02442227 0.01245725
19.86032330 -11.16857061 -10.53215236
0.00006758 0.00011260 -0.00039891
0.01888845 -0.03243437 -0.00763635
19.22785025 -5.83830854 -0.20495186
0.00012736 0.00013220 0.00019745
-0.01095371 -0.00621158 0.00844453
15.93484770 7.60821761 9.61154414
-0.00020025 -0.00012835 0.00006228
-0.00347931 -0.00079961 -0.00742757
3.84571405 -14.61343096 16.57323198
-0.00015998 -0.00009806 -0.00003297
-0.02475850 0.03382005 0.02731061
-3.66895245 -2.54633010 -13.92497687
-0.00030615 -0.00013179 -0.00034349
0.01689568 0.03019367 -0.00269708
16.24982516 -6.51691868 -13.22132162
0.00022990 0.00034822 0.00027728
-0.01403544 -0.02198966 -0.01788695
10.57679968 -4.42885749 6.49708464
-0.00012598 -0.00024891 0.00022333
0.03867621 -0.00262072 -0.00213935
-19.52968289 0.84063909 25.11484882
-0.00011055 0.00012861 0.00030876
-0.03959053 -0.02282875 -0.02013168
24.04877437 -0.74843961 -7.44598539
-0.00011744 0.00008696 0.00007872
-0.00510180 -0.01046852 0.00889862
11.49764713 -9.74888079 -11.21646773
0.00011427 0.00009466 0.00011403
0.02333799 -0.00069244 0.01426731
-9.71651917 -9.94925148 16.67183981
0.00004324 -0.00000014 0.00032015
-0.03603169 0.01353427 0.00196759
7.36436887 0.15200704 -28.59087688
0.00001438 -0.00040073 -0.00010015
-0.02622120 0.00715509 -0.00554542
12.58090786 17.78017936 12.25334738
0.00002808 0.00013447 0.00005353
0.01675642 -0.00591034 -0.01348303
25.94575413 7.44605353 -11.15414792
0.00021279 0.00027499 -0.00009095
-0.00757846 0.00238694 0.00516961
3.72877433 -29.80357115 -4.89704122
0.00070289 0.00076363 -0.00018039
0.00828669 0.00294340 0.00064596
3.36552886 -30.71083225 -2.14854765
-0.00017931 0.00078692 -0.00012164
-0.00276238 0.01508665 0.02794222
-9.72151233 3.11731125 -8.83437118
-0.00025354 -0.00108380 -0.00049895
0.02462579 0.01512775 0.00879289
-11.56762431 2.63520747 -11.07249702
-0.00018430 0.00005266 0.00064959
0.00006178 0.00951119 -0.01464695
-36.83870873 3.46848255 3.03636221
0.00061731 0.00040887 -0.00054409
-0.00592288 0.00884870 -0.00240818
-38.87607454 1.50972494 3.78068394
0.00130908 0.00042830 0.00092674
0.01290135 -0.00200899 0.00063404
-9.08455597 -4.03264292 1.80052756
-0.00052110 -0.00120947 0.00077742
0.00373601 -0.01256900 -0.00366578
-6.28418853 -4.68359556 2.63827583
0.00006468 -0.00028843 -0.00008457
-0.00398226 -0.00555843 -0.00275810
3.48857953 -1.33068024 9.01566271
0.00046991 -0.00064029 -0.00067102
-0.01937793 0.02397430 0.00419563
1.80102153 1.00892320 8.34743900
-0.00077392 -0.00051877 -0.00001484
-0.00509942 0.01816926 -0.02320558
-30.83243141 -0.40523319 3.82539113
0.00018398 -0.00069761 0.00018343
-0.00352679 0.01528928 -0.00891344
-33.05547204 1.48956865 3.34349881
0.00001630 -0.00085625 0.00107190
-0.02152185 -0.00533905 0.00195655
15.49607729 11.85519822 -18.65954850
0.00018143 0.00132004 0.00026684
0.00764220 0.02750720 0.02416789
17.98638084 12.27771374 -17.26114092
0.00008024 0.00018309 -0.00001209
-0.01066633 0.00508652 -0.00189424
-2.78284530 6.51956949 5.10265174
0.00075136 -0.00038497 -0.00067569
-0.00318460 -0.02741165 -0.01290820
-3.78738791 5.65877403 2.62856935
0.00049471 0.00017142 0.00006781
-0.00239857 0.00496540 -0.02478066
5.89412929 16.86940989 -8.11425091
-0.00018058 0.00096864 0.00033741
-0.01736090 0.01713960 0.02339015
5.67089801 18.70636082 -5.74991519
-0.00108071 -0.00099517 0.00054035
0.02316446 0.02219851 0.01069531
8.99369767 6.40418290 -22.65128840
0.00069281 -0.00003819 0.00071048
-0.01618859 0.00825359 -0.00087188
9.64508784 7.42581866 -20.05054619
0.00007913 0.00017809 -0.00019347
0.02169522 0.01175982 0.02506168
19.63754456 20.20577616 -4.16650162
0.00057569 0.00024435 -0.00162043
-0.01011057 0.00853056 0.01250792
20.89934276 19.63114603 -6.50586654
0.00063064 0.00033447 0.00058516
0.02203434 0.00995064 -0.02526875
1.89351707 12.99453550 -20.76648977
-0.00101232 -0.00013234 0.00053268
-0.00692027 -0.00259884 0.00761392
0.35139713 15.28522175 -21.94083435
-0.00092095 -0.00070535 -0.00007240
0.00153177 -0.00774282 0.00638495
9.80684036 -7.08375775 -0.45138911
-0.00026999 -0.00026383 -0.00012468
-0.01489944 -0.03402299 -0.01282648
9.28443797 -4.30759223 -0.35216407
-0.00012858 0.00005530 0.00004373
-0.01699890 0.02241647 -0.00736913
-17.04084580 -6.53409924 6.29035860
-0.00037674 0.00001139 -0.00070740
0.00113193 0.00750246 -0.00232929
-18.03027472 -5.32826693 3.85486823
0.00039825 -0.00001228 0.00082587
-0.00414067 -0.00327980 -0.00773743
-14.26275649 -0.94722963 19.01340475
0.00001648 -0.00017069 0.00122706
-0.00105217 0.00311651 -0.00055313
-15.04920321 -0.26512697 21.72270501
-0.00009537 0.00005422 -0.00104174
-0.00721361 0.00829043 0.01035621
-0.18661683 2.91693070 -3.38725138
-0.00007755 0.00016626 0.00070914
0.01252070 0.01187946 -0.02357461
0.95397271 2.24158734 -6.00029400
0.00075321 0.00038865 -0.00018485
0.00161964 0.00993096 0.01244143
20.00916697 -9.08833999 -5.74214038
-0.00039798 0.00017753 -0.00085092
0.02541463 -0.00043629 0.00907712
22.85505608 -9.42438588 -4.15221241
0.00026203 0.00062569 0.00018499
-0.04215154 0.00070182 -0.01897630
4.57910494 -11.25014455 6.60003716
-0.00159103 0.00056158 0.00029358
-0.00815630 0.00162640 -0.01125693
2.50303793 -11.51588738 8.47704483
-0.00008692 0.00085184 -0.00052968
-0.00009638 0.01103629 -0.01970271
-2.67428003 -3.11147709 -20.47266537
0.00060275 0.00053801 0.00082667
0.01109007 0.01105873 0.02386432
-2.71359360 -1.40135033 -17.88409152
-0.00084809 -0.00024420 0.00033931
-0.00572765 -0.00779644 -0.00106246
1.21372715 5.75088432 -11.46713169
-0.00064624 -0.00000145 -0.00036250
-0.03383527 -0.01868429 0.01957108
-0.96610243 4.32597208 -9.77586885
-0.00049745 0.00043404 -0.00023911
-0.00443933 -0.02362782 0.05068886
-4.10493611 16.70551526 14.79636192
-0.00063947 0.00008140 -0.00110975
-0.00216295 -0.01753112 -0.01606598
-6.64251564 16.04243174 13.73308652
0.00013929 0.00040287 -0.00062093
0.00468715 -0.00743644 -0.00365181
-5.42279140 2.09884202 -6.50625523
0.00061761 0.00024995 -0.00062006
-0.00252084 -0.00589934 0.00378254
-5.53206264 2.13832036 -9.47998976
0.00080558 -0.00032718 0.00013844
0.00476295 0.01014122 0.00960678
-9.30804960 -1.54096930 -4.38830544
0.00037636 -0.00043582 -0.00039881
-0.01853685 -0.02829066 0.00857610
-9.37838187 1.16043991 -3.18785927
-0.00072612 -0.00015650 0.00117422
-0.01414479 0.00638285 0.01453982
2.42673282 29.09676061 4.36630614
0.00006495 -0.00060352 0.00081289
0.00509110 -0.01868252 0.03082991
2.44092256 28.24938898 7.36326012
-0.00110541 -0.00055745 -0.00001899
-0.00477156 0.01026538 -0.00098171
7.12210967 -10.07496772 -3.13039798
-0.00095807 0.00090665 0.00009974
0.03045199 0.01502816 0.03035758
8.90966952 -10.97979138 -0.85531513
0.00061784 -0.00025304 -0.00002191
-0.00441052 0.00540281 -0.01247316
-5.50549117 -0.31098392 9.62982683
-0.00027377 0.00094960 -0.00007587
0.01526582 0.01715071 -0.00808036
-8.02873603 0.74746095 9.96609063
-0.00018383 0.00012689 -0.00022852
0.00147679 0.01725834 0.00240234
19.28051603 9.60425979 7.78380836
-0.00034709 0.00051050 -0.00114530
-0.00598287 -0.00352743 -0.00613112
21.36885005 10.21590823 6.04544934
-0.00042451 -0.00076002 0.00005782
0.06260340 0.02018330 -0.00602147
-2.94519645 0.55972416 -22.49493783
-0.00016553 0.00047683 0.00150397
-0.00731178 -0.00329256 -0.01014766
-5.21648398 0.53699262 -24.42894014
0.00137597 -0.00055662 -0.00061259
-0.00617842 0.00013857 0.00018709
-12.79362353 9.54152045 10.66388593
-0.00030699 0.00006091 -0.00004338
0.00458816 -0.00259184 0.00193463
-13.50429867 9.54305017 8.00631078
-0.00065843 -0.00023007 0.00005805
-0.00585655 0.00340697 -0.01761572
-13.76701290 4.15298685 -4.92421362
0.00014486 -0.00077642 -0.00058098
0.00534069 0.02304150 0.02288248
-14.96228793 6.72419291 -4.97423928
-0.00012971 -0.00071456 0.00034048
-0.00232015 0.00136397 0.01438469
-5.33597920 -16.11131669 21.20003818
-0.00050619 0.00003203 -0.00082172
-0.00323669 0.00091970 -0.00250819
-3.00891973 -15.40239744 19.62866368
0.00014672 0.00028075 -0.00010751
0.00434363 0.00031544 -0.01173200
-6.52580971 6.77538251 -6.58422437
0.00000089 0.00063829 -0.00010319
-0.00150926 -0.01235804 0.00370333
-7.56369892 9.35667675 -5.38197800
-0.00118909 -0.00041255 -0.00049273
0.00674675 -0.01019142 -0.01583550
-20.81000426 31.01992215 -0.02350787
-0.00074395 -0.00037729 0.00064515
-0.00756306 0.00308538 -0.01090146
-17.95826664 30.60865185 0.85137638
0.00066337 -0.00069818 -0.00088066
-0.02592591 -0.00618280 0.00409726
9.14965895 3.10159901 6.89015597
0.00008337 0.00038734 0.00092547
-0.02569662 -0.01867915 -0.02617569
9.81454456 5.47215384 8.40989726
-0.00063087 0.00096986 0.00028907
0.00736479 -0.02783816 0.00051799
8.51002221 17.89310376 -12.36921278
-0.00019630 -0.00025002 0.00047823
-0.00385369 -0.01876012 0.00082080
8.62555966 15.18524980 -11.26133839
0.00017161 -0.00031171 -0.00027438
0.00023908 0.00690471 -0.00481092
12.78547839 5.57317330 0.07552373
0.00080991 -0.00017119 -0.00090143
-0.00220118 0.01271563 0.00400666
14.38234395 3.29473032 0.79413874
0.00030763 -0.00065250 0.00008542
-0.01142337 0.01700330 -0.02090876
-4.64831560 11.73465916 -2.70768265
0.00041137 -0.00015080 -0.00063171
0.02838882 -0.00423696 -0.02895176
-5.45741594 10.25801382 -0.46390381
0.00065087 -0.00038841 -0.00147150
0.00231393 -0.00185952 -0.00233433
7.81851551 13.17509050 4.75741791
-0.00071357 0.00030389 -0.00002981
-0.00506827 0.03028544 -0.00467641
10.09811504 11.38722726 4.54732006
0.00038321 -0.00038936 0.00010025
0.01540163 -0.00312039 -0.00452499
18.77202526 -11.19355731 -9.06438672
0.00040069 0.00103733 0.00097058
0.00014634 -0.00321517 0.00050446
20.66299656 -12.90788713 -10.60363073
0.00036137 -0.00090602 0.00041271
-0.01696364 0.02948977 0.00715503
18.89586245 -5.01133563 -1.77821062
0.00033195 0.00092814 -0.00022233
0.00450663 -0.00001779 -0.01256653
18.17296098 -7.39128192 -0.30079804
0.00051077 0.00047263 0.00041141
0.00511360 0.00223320 0.00289287
15.09461246 9.18601810 9.33533580
-0.00042744 -0.00084586 0.00007076
-0.00573620 0.00465704 -0.00235041
16.57327612 7.70852685 11.29238949
0.00008420 0.00062648 -0.00027577
0.00322162 -0.00163778 0.01249022
2.65973757 -15.66797364 17.55919189
0.00029954 0.00013997 0.00066231
0.01113541 -0.01376633 -0.01877514
3.31498294 -12.95774887 17.32719914
-0.00059691 -0.00065529 0.00001644
0.01759554 -0.01438434 -0.02255170
-4.15064459 -4.29896541 -13.63532460
-0.00072366 0.00018223 -0.00032427
-0.00649144 -0.00978625 0.00314785
-1.94977503 -2.28418506 -13.36783276
-0.00090709 0.00007422 -0.00019182
-0.00246103 -0.00164259 -0.00006596
16.02470149 -7.35876511 -14.91372874
-0.00012375 0.00037839 0.00027184
0.00511535 -0.00202157 0.00959884
17.19341307 -7.61172846 -12.07354601
-0.00003461 0.00083672 0.00009995
-0.00317697 0.00395533 -0.00337249
9.49340592 -4.40295849 5.04786201
-0.00097043 0.00060661 0.00119961
-0.00977661 -0.00178874 -0.00480631
12.31384661 -4.63055885 5.76134233
0.00079671 0.00074462 0.00039963
-0.02753045 0.00724477 0.00730581
-21.16803024 0.02750656 24.53013884
0.00006732 -0.00039400 0.00011267
0.03212083 -0.00171049 0.01532017
-20.14706062 2.49967448 25.40099271
-0.00008839 0.00055056 -0.00087954
-0.00059110 0.02586964 0.01049481
24.57799316 -2.50324947 -7.15060729
0.00004596 -0.00011787 0.00053380
0.00591942 0.00656436 0.00258270
24.10732291 -0.61387809 -9.25529573
-0.00017265 -0.00038815 0.00065830
-0.00192316 0.00875445 -0.01823599
12.51518958 -10.29316961 -9.71243623
-0.00047657 0.00007146 0.00023061
-0.01298141 0.01803572 -0.02009076
12.47380022 -8.43148360 -12.11764410
-0.00001524 -0.00015173 0.00013718
-0.00885260 -0.01813565 0.01237665
-9.37602894 -9.11433064 18.27092573
0.00012313 -0.00023585 0.00006020
0.00857335 -0.00494519 -0.00263755
-11.60248710 -9.74191912 16.70511764
-0.00058915 0.00135286 0.00060497
0.03417896 -0.00883791 -0.00072989
8.36844497 0.35094081 -30.10414361
-0.00008861 -0.00061896 0.00006397
0.01482834 0.00529384 0.00226853
5.69685524 0.79082908 -29.13434078
-0.00034673 -0.00072730 -0.00063877
0.01052427 -0.01031163 0.01094794
12.46679640 19.59087193 12.50415502
0.00023133 -0.00074823 -0.00017030
0.00546798 -0.00484051 -0.00641016
13.76099797 17.34122466 10.80997332
-0.00130179 0.00030298 -0.00047512
-0.01741056 0.01817738 0.02117765
27.70980658 7.71213581 -11.53046960
-0.00027557 -0.00001398 0.00022897
0.01386763 0.00032310 -0.01317976
25.91070441 7.28421749 -9.33407400
-0.00065199 -0.00071556 -0.00011973
-0.00392645 0.00424870 0.01066920
-7.10876596 4.57693177 6.68626336
0.00027903 -0.00009453 -0.00006301
-0.00230316 -0.00527240 -0.00551857
-8.93049543 8.73234052 3.87710620
0.00022526 -0.00009785 0.00001595
-0.00193676 -0.00714387 -0.00360187
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08031899
0.30535886
406.87537767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3958758543 (a.u.)
total exchange computation time: 3.1956140995 s
-154.1391793194
-931.38285247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3956180639 (a.u.)
total exchange computation time: 3.1961190701 s
-154.1422011432
Anderson extrapolation: theta=1.3861636316 (1.3861636316)
-931.38307301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3951866991 (a.u.)
total exchange computation time: 3.1957080364 s
-154.1470904191
Anderson extrapolation: theta=0.0677103342 (0.0677103342)
-931.38321380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3951010186 (a.u.)
total exchange computation time: 3.1945040226 s
-154.1480054865
Anderson extrapolation: theta=2.4384281057 (2.0000000000)
-931.38322209
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3949208004 (a.u.)
total exchange computation time: 3.1941299438 s
-154.1499210720
Anderson extrapolation: theta=0.5048127340 (0.5048127340)
-931.38323332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3948462434 (a.u.)
total exchange computation time: 3.1962511539 s
-154.1507314258
Anderson extrapolation: theta=0.9569130890 (0.9569130890)
-931.38323679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3948076940 (a.u.)
total exchange computation time: 3.1956400871 s
-154.1511987315
Anderson extrapolation: theta=0.6311166280 (0.6311166280)
-931.38323877
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3948161073 (a.u.)
total exchange computation time: 3.1969678402 s
-154.1511901000
Anderson extrapolation: theta=0.6778537802 (0.6778537802)
-931.38323924
73.606852 67.764179 -294.778251
546.282366 1079.929600 -416.220808
619.889218 1147.693779 -710.999059
1485.591907
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1656895619
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3948458368 (a.u.)
total exchange computation time: 3.1948010921 s
679.16430888
-1084.41999028
89.77969538
-388.64313353
-174.86927374
78.63196982
551.60419304
0.00000000
-931.38323912
3.63914099 -31.30938634 -3.82859967
-0.00037268 0.00027034 -0.00003131
0.00458189 -0.00975545 -0.02796344
-11.15976085 2.22326707 -9.34324228
-0.00004280 -0.00010222 -0.00010633
-0.03066421 -0.03373459 0.00600686
-37.05415986 1.92764139 3.96793962
0.00015111 0.00013076 0.00012674
0.01511223 0.00269703 -0.00276796
-7.72352919 -3.62808869 2.98034122
0.00003142 -0.00005894 -0.00027170
-0.00250047 0.00963458 0.00592556
2.29554667 -0.03557450 9.68992676
0.00018481 0.00021221 -0.00005048
0.03043318 -0.04992435 0.01349209
-31.27660167 1.39605863 3.49865573
-0.00012182 0.00014887 -0.00007706
0.03283857 -0.01647777 0.00619704
16.44519174 13.23394380 -17.69016033
0.00014837 -0.00034797 -0.00003226
0.00402948 -0.01412197 -0.01329601
-3.27901817 4.90896437 4.15957684
-0.00022251 -0.00013042 -0.00053947
0.01011142 0.01452359 0.03880807
4.84146215 17.38328795 -6.58744772
0.00013719 0.00002408 -0.00032103
-0.01061911 -0.04916690 -0.04110883
8.29317714 7.34348277 -21.20807908
0.00000306 0.00048405 -0.00023980
-0.01409942 -0.01466204 -0.02654321
19.82096086 18.83063789 -5.35062994
0.00050248 -0.00006917 0.00014802
-0.01374568 -0.01778850 0.00848888
2.03526988 14.67768979 -21.41647657
0.00013709 -0.00003779 0.00007627
-0.00348409 0.00757263 -0.00959485
10.50379069 -5.54588051 0.05976398
0.00015705 0.00007053 -0.00010552
0.03775470 0.01948166 0.02326662
-16.51367316 -5.55294686 4.82484610
0.00016497 -0.00007942 -0.00021517
0.00595384 -0.00600800 0.01284132
-14.22457856 -1.53114549 20.75069355
0.00009583 0.00007260 -0.00006801
0.00501651 -0.00900774 -0.00303439
0.80959061 3.66460416 -4.80136422
-0.00050028 -0.00010144 -0.00015082
-0.01897365 -0.02112358 0.02105063
20.90669909 -9.57730738 -4.20338592
-0.00032246 0.00006164 -0.00029876
0.00826136 -0.00338536 -0.00143038
2.78414292 -10.84097761 6.74176807
0.00009273 -0.00014518 0.00001364
-0.00284771 -0.00555988 0.03015428
-1.81930701 -1.78665029 -19.42051694
-0.00022905 -0.00027553 0.00007860
-0.00355658 0.00301484 -0.01602439
-0.60251287 5.14844739 -11.25798759
0.00016740 0.00038227 -0.00004333
0.02425359 0.04260543 -0.06632243
-4.88218213 15.47760668 13.57757932
0.00009721 0.00012760 0.00056566
-0.00187560 0.01839054 0.03270169
-4.96824198 3.09166203 -7.95405034
-0.00007196 0.00012191 -0.00046503
0.00073875 0.00760146 -0.00392657
-8.63246544 0.08004131 -4.40333029
0.00025665 -0.00019477 0.00019626
0.03200778 0.02864690 -0.01127702
2.97472453 27.83096084 5.69046894
0.00015809 -0.00018825 -0.00026178
0.00059557 0.00128394 -0.02528183
8.69032618 -9.60179566 -2.09310066
-0.00012875 0.00004699 0.00000998
-0.03754414 -0.03141916 -0.01301413
-6.29154491 1.39762083 9.93641719
0.00032773 -0.00009692 0.00034205
-0.02431591 -0.03687553 -0.00861727
19.76676143 9.56456616 5.99459732
0.00014047 -0.00007142 -0.00025537
-0.05357723 -0.01452858 0.01152923
-3.40651804 0.61403588 -24.29896930
-0.00019531 -0.00016268 -0.00011516
0.02886596 0.00048289 0.02251870
-13.63575545 8.44868697 9.45847938
-0.00003715 0.00012156 -0.00013786
0.00004698 -0.00251306 0.01039248
-13.78800851 5.76380012 -3.90978506
0.00027634 -0.00000780 0.00002351
0.00302478 -0.03782516 -0.03653501
-3.79350377 -15.08132649 21.21898994
0.00009133 0.00013301 0.00028102
-0.00283837 -0.00545914 0.00958126
-6.32373675 8.56579906 -6.52305946
-0.00021200 0.00013603 0.00033412
0.00074650 0.02291093 0.00243997
-19.77767800 30.33679011 1.27197583
0.00002285 0.00031880 0.00017431
0.04005616 0.00228516 0.00537496
10.29741616 3.63296073 8.12797640
-0.00016314 0.00010915 -0.00018539
0.02026741 0.05565107 0.03304067
7.43760860 16.51182302 -11.73964446
-0.00019344 0.00009071 0.00002933
-0.00404311 0.00123972 0.01370517
14.04652611 4.50953493 -0.64782288
-0.00005005 -0.00026413 0.00061436
0.02052766 -0.04220278 0.01193832
-5.71627018 11.86388298 -1.30473792
-0.00052531 0.00006234 0.00017126
-0.02085838 0.01480655 0.01940823
8.33958116 11.47197256 4.92915538
0.00029306 -0.00075490 -0.00005393
-0.01652695 -0.01338525 0.01151369
19.86140984 -11.16700674 -10.53816548
0.00007681 0.00009476 -0.00040141
0.01700334 -0.03692240 -0.00209807
19.22971846 -5.83634957 -0.20195748
0.00012202 0.00013022 0.00020070
-0.00982394 -0.00145248 0.00416337
15.93183047 7.60628923 9.61244971
-0.00020166 -0.00012966 0.00005843
-0.00197158 -0.00429456 -0.00755290
3.84321885 -14.61477145 16.57284275
-0.00017262 -0.00008117 -0.00001900
-0.02440962 0.03187338 0.02701503
-3.67347959 -2.54819052 -13.93013960
-0.00029826 -0.00011593 -0.00034535
0.01379557 0.03149752 -0.00454393
16.25321958 -6.51178026 -13.21723144
0.00022201 0.00033739 0.00026732
-0.01667484 -0.02010331 -0.02083264
10.57505918 -4.43260131 6.50042637
-0.00010493 -0.00025025 0.00022272
0.04316914 -0.00257962 -0.00023737
-19.53149380 0.84248011 25.11940249
-0.00013115 0.00011712 0.00029838
-0.04052677 -0.02183962 -0.02019944
24.04699312 -0.74717565 -7.44477029
-0.00011990 0.00008095 0.00008456
-0.00448217 -0.01289793 0.01380089
11.49945119 -9.74746351 -11.21470225
0.00012570 0.00009408 0.00012127
0.02109603 -0.00156884 0.01389832
-9.71600949 -9.94920139 16.67664963
0.00002347 0.00000681 0.00032063
-0.04087612 0.01350631 -0.00008945
7.36448339 0.14602373 -28.59240048
0.00000015 -0.00039689 -0.00010290
-0.02909515 0.00775692 -0.00516187
12.58139373 17.78217359 12.25409830
0.00003644 0.00012982 0.00004674
0.01574068 -0.01215783 -0.01292764
25.94891671 7.45018751 -11.15549223
0.00020772 0.00027599 -0.00008792
-0.01214024 0.00153192 0.00660523
3.73957164 -29.79202650 -4.89972732
0.00073579 0.00076939 -0.00017445
0.00781877 -0.00012257 0.00226413
3.36275452 -30.69856619 -2.14951604
-0.00019052 0.00084722 -0.00000792
-0.00272210 0.01443316 0.02772701
-9.72456087 3.10151783 -8.84158596
-0.00014096 -0.00101499 -0.00045861
0.03048295 0.01855296 0.01095168
-11.57038697 2.63628879 -11.06320197
-0.00018624 0.00009340 0.00058115
-0.00100993 0.01043086 -0.01885528
-36.82963052 3.47488668 3.02812703
0.00059121 0.00043572 -0.00054829
-0.00685531 0.00429426 0.00035448
-38.85604298 1.51608782 3.79460449
0.00134621 0.00041763 0.00092728
0.00527165 -0.00321215 -0.00037014
-9.09225801 -4.05117013 1.81207647
-0.00050634 -0.00126051 0.00076145
0.00349005 -0.01241592 -0.00414861
-6.28334038 -4.68809238 2.63692281
0.00004700 -0.00030992 -0.00009551
-0.00467269 -0.00495797 -0.00259631
3.49503437 -1.33954995 9.00572603
0.00038323 -0.00053393 -0.00064968
-0.02305268 0.02809148 0.00624796
1.78925650 1.00169847 8.34650528
-0.00079559 -0.00044356 -0.00011234
-0.00550893 0.01864346 -0.02452265
-30.82977982 -0.41522876 3.82786951
0.00016815 -0.00062470 0.00014474
-0.00422243 0.02039668 -0.01002695
-33.05588700 1.47656130 3.35963722
-0.00007643 -0.00087650 0.00107942
-0.02386986 -0.00457406 0.00172509
15.49903297 11.87584165 -18.65480531
0.00020812 0.00142413 0.00035892
0.00542144 0.02345027 0.02090639
17.98725758 12.28061595 -17.26138026
0.00003965 0.00020103 -0.00001968
-0.00920335 0.00369692 -0.00182308
-2.77167251 6.51295500 5.09212082
0.00073749 -0.00049675 -0.00072710
-0.00360333 -0.02730500 -0.01225510
-3.78004070 5.66149744 2.62882717
0.00048136 0.00019556 -0.00004306
-0.00413605 0.00685509 -0.02949436
5.89088861 16.88446474 -8.10847306
-0.00024549 0.00103534 0.00042480
-0.01441176 0.01550909 0.01939142
5.65539714 18.69211344 -5.74148213
-0.00097797 -0.00089229 0.00059243
0.02712996 0.02816569 0.01479681
9.00359381 6.40386299 -22.64065799
0.00062642 -0.00000571 0.00070345
-0.01631152 0.00764429 -0.00256841
9.64693954 7.42885034 -20.05268026
0.00016592 0.00022692 -0.00009073
0.02079145 0.01214268 0.02522730
19.64587015 20.20970284 -4.19042475
0.00053122 0.00028834 -0.00155782
-0.01166108 0.01299977 0.01813828
20.90947758 19.63646807 -6.49786342
0.00072112 0.00037277 0.00048012
0.02225427 0.00879321 -0.02615173
1.87812025 12.99247073 -20.75826633
-0.00103767 -0.00013855 0.00056182
-0.00549020 -0.00044182 0.00665182
0.33762974 15.27440429 -21.94172465
-0.00090547 -0.00073724 -0.00004435
0.00604581 -0.00786908 0.00734630
9.80233396 -7.08875780 -0.45365229
-0.00032716 -0.00039464 -0.00017421
-0.01308411 -0.03000809 -0.01141884
9.28198836 -4.30607580 -0.35173387
-0.00019519 0.00014430 0.00001476
-0.01560891 0.02114715 -0.00681373
-17.04646225 -6.53369851 6.27967627
-0.00037150 0.00003942 -0.00071211
0.00143466 0.00621859 0.00002049
-18.02442782 -5.32855165 3.86701919
0.00037164 -0.00002285 0.00078566
-0.00888690 -0.00189327 -0.01194356
-14.26254153 -0.94969445 19.03179374
0.00001301 -0.00015346 0.00120477
-0.00064563 0.00531499 -0.01035890
-15.05085476 -0.26405970 21.70739632
-0.00012830 0.00009258 -0.00099350
-0.00890563 0.01048765 0.01325497
-0.18739643 2.91978856 -3.37733662
-0.00002479 0.00021419 0.00060822
0.01330715 0.01158320 -0.02582863
0.96532047 2.24772144 -6.00268544
0.00075828 0.00042563 -0.00013437
0.00086119 0.00817141 0.01226850
20.00397608 -9.08569045 -5.75462607
-0.00029098 0.00017443 -0.00080772
0.02695936 -0.00108120 0.01207096
22.85769486 -9.41497907 -4.15001909
0.00008598 0.00062774 0.00010689
-0.04402456 0.00030335 -0.01925489
4.55498949 -11.24167102 6.60409587
-0.00159726 0.00056199 0.00024459
0.00511011 -0.00142762 -0.01272303
2.50173116 -11.50277159 8.46849593
-0.00008964 0.00089291 -0.00060004
-0.00123378 0.00906652 -0.01473845
-2.66489889 -3.10306805 -20.45953411
0.00064032 0.00057183 0.00091460
0.00729763 0.00549396 0.01918205
-2.72649051 -1.40525230 -17.87903439
-0.00086672 -0.00027765 0.00032812
-0.00339055 -0.00857713 -0.00441842
1.20299666 5.75028999 -11.47196951
-0.00077560 -0.00007528 -0.00028232
-0.02948363 -0.01745677 0.01967840
-0.97370026 4.33175859 -9.77790226
-0.00051521 0.00033795 -0.00003275
-0.00425320 -0.02340616 0.05032458
-4.11459451 16.70619910 14.77922342
-0.00064072 0.00001973 -0.00116417
0.00155131 -0.01265918 -0.01057385
-6.64028259 16.04824699 13.72366068
0.00015730 0.00037225 -0.00063549
0.00412724 -0.00755557 -0.00347348
-5.41360443 2.10241046 -6.51544018
0.00060606 0.00022300 -0.00059923
-0.00313463 -0.00728978 0.00641158
-5.51983295 2.13372338 -9.47761878
0.00082274 -0.00028800 0.00017298
0.00363757 0.00903816 0.00730234
-9.30297219 -1.54837359 -4.39402474
0.00030218 -0.00054753 -0.00036386
-0.01777695 -0.02639078 0.00852995
-9.38970709 1.15828801 -3.16980045
-0.00077514 -0.00014255 0.00122005
-0.00985045 0.00044703 0.00789502
2.42786312 29.08713532 4.37944427
0.00008294 -0.00067222 0.00092966
0.00371238 -0.01494754 0.02632812
2.42419527 28.24134174 7.36294513
-0.00112168 -0.00051835 -0.00003085
-0.00319574 0.00887705 -0.00482231
7.10867177 -10.06090751 -3.12797170
-0.00083071 0.00096680 0.00022615
0.03188945 0.01441822 0.03152397
8.91880200 -10.98342140 -0.85602593
0.00059790 -0.00022882 -0.00007582
-0.00535027 0.00645451 -0.01391937
-5.50912999 -0.29621441 9.62844120
-0.00020671 0.00100879 -0.00011026
0.01756040 0.01182686 -0.00875282
-8.03144821 0.74989309 9.96273644
-0.00017254 0.00019925 -0.00021842
0.00404780 0.01816593 0.00254270
19.27512632 9.61180923 7.76644095
-0.00037442 0.00049572 -0.00116018
-0.00739454 -0.00370731 -0.00115349
21.36440074 10.20512635 6.04613212
-0.00015531 -0.00067245 0.00003354
0.06917368 0.02268376 -0.00586399
-2.94790351 0.56677576 -22.47268930
-0.00020056 0.00046320 0.00144222
-0.00983312 -0.00337884 -0.02007949
-5.19603375 0.52864752 -24.43812324
0.00132530 -0.00055700 -0.00061298
-0.01862643 -0.00032155 -0.00037948
-12.79808772 9.54235473 10.66329455
-0.00028748 0.00005111 -0.00003523
0.00496061 -0.00220613 0.00205456
-13.51435452 9.53970355 8.00664171
-0.00068150 -0.00021222 -0.00001884
-0.00543617 0.00532948 -0.02002349
-13.76467641 4.14204657 -4.93222718
0.00016686 -0.00067356 -0.00048188
0.00543128 0.02731023 0.02562961
-14.96430472 6.71351638 -4.96869128
-0.00014166 -0.00070587 0.00039675
-0.00352574 0.00288518 0.01315791
-5.34367126 -16.11080803 21.18763560
-0.00051365 0.00003964 -0.00083020
-0.00041200 0.00280532 -0.00164743
-3.00658579 -15.39817650 19.62669149
0.00016244 0.00028355 -0.00015014
0.00335214 0.00105563 -0.00913411
-6.52584257 6.78457819 -6.58565874
-0.00000621 0.00057930 -0.00008888
-0.00196811 -0.01652050 0.00330173
-7.58132848 9.35017618 -5.38985421
-0.00116191 -0.00045259 -0.00055611
0.00655760 -0.00940886 -0.01518847
-20.82139520 31.01435730 -0.01416469
-0.00077517 -0.00036366 0.00059814
-0.00771960 0.00358659 -0.01210998
-17.94911052 30.59798969 0.83829202
0.00054884 -0.00072337 -0.00086219
-0.03013664 -0.00614596 0.00494518
9.15012202 3.10683671 6.90323585
-0.00003314 0.00030594 0.00080611
-0.03133236 -0.02116405 -0.03225005
9.80530718 5.48584872 8.41424919
-0.00059805 0.00084726 0.00028952
0.00870313 -0.03217853 -0.00029767
8.50695968 17.88877857 -12.36201418
-0.00020887 -0.00032152 0.00047919
-0.00229897 -0.01624026 -0.00035304
8.62814110 15.18078576 -11.26560156
0.00016797 -0.00027942 -0.00029528
-0.00202012 0.00890196 -0.00541938
12.79755952 5.57099511 0.06212512
0.00078753 -0.00010885 -0.00087561
-0.00875183 0.01779824 0.00862987
14.38660842 3.28546390 0.79477936
0.00025913 -0.00058177 0.00000193
-0.01232151 0.01761552 -0.01996232
-4.64127519 11.73226728 -2.71804542
0.00051267 -0.00016346 -0.00073206
0.02119964 -0.00196094 -0.02016985
-5.44758194 10.25213076 -0.48604782
0.00065922 -0.00039926 -0.00147684
0.00177314 -0.00345604 -0.00027823
7.80765664 13.18057682 4.75682743
-0.00072614 0.00040425 -0.00004697
-0.00108318 0.01884583 -0.00372101
10.10433508 11.38129129 4.54868521
0.00044524 -0.00040103 0.00008187
0.01496342 -0.00259222 -0.00447468
18.77804013 -11.17809593 -9.04981256
0.00040932 0.00102376 0.00096122
0.00407880 -0.00342514 -0.00508842
20.66789725 -12.92057378 -10.59722090
0.00028767 -0.00077635 0.00044157
-0.01911150 0.03398334 0.00697385
18.90097977 -4.99741415 -1.78193059
0.00035188 0.00092175 -0.00026344
0.00524978 -0.00310903 -0.00755896
18.18077920 -7.38412407 -0.29453831
0.00052793 0.00047742 0.00042134
0.00328770 0.00011046 0.00196918
15.08802504 9.17347285 9.33632519
-0.00045517 -0.00081937 0.00005911
-0.00783545 0.00831391 -0.00335450
16.57463777 7.71787391 11.28863568
0.00009867 0.00061956 -0.00022252
0.00386571 -0.00174892 0.01357401
2.66457184 -15.66629588 17.56855123
0.00034445 0.00008191 0.00058537
0.01084945 -0.01465804 -0.01888816
3.30656844 -12.96801894 17.32675465
-0.00052548 -0.00070851 -0.00007453
0.01736951 -0.01166891 -0.02197937
-4.16169847 -4.29653180 -13.64009212
-0.00074987 0.00014015 -0.00031070
-0.00633874 -0.01081495 0.00349267
-1.96345685 -2.28312213 -13.37071203
-0.00090979 0.00006787 -0.00018975
0.00114105 -0.00146682 0.00107702
16.02300197 -7.35315125 -14.90935705
-0.00010218 0.00036994 0.00031198
0.00544146 -0.00211466 0.01005172
17.19279651 -7.59905653 -12.07215009
-0.00004353 0.00084761 0.00009079
-0.00118543 0.00137592 -0.00110944
9.47854987 -4.39391423 5.06570887
-0.00101029 0.00059900 0.00117577
-0.00973366 -0.00193458 -0.00686576
12.32495358 -4.61916754 5.76756061
0.00067546 0.00077424 0.00042959
-0.03182249 0.00725451 0.00736143
-21.16603611 0.02154421 24.53229832
0.00019926 -0.00039899 0.00017606
0.03246198 -0.00073420 0.01571100
-20.14840463 2.50872556 25.38812116
-0.00008950 0.00065147 -0.00083773
0.00005097 0.02352727 0.00997169
24.57886399 -2.50481635 -7.14252113
0.00006886 -0.00008702 0.00054320
0.00528697 0.00853665 0.00201667
24.10467422 -0.61943214 -9.24597999
-0.00018022 -0.00035185 0.00057449
-0.00178168 0.00901539 -0.02279302
12.50764320 -10.29154500 -9.70959276
-0.00052724 0.00014454 0.00015089
-0.01182022 0.01773487 -0.01893264
12.47330037 -8.43431521 -12.11520708
-0.00004918 -0.00022346 0.00018627
-0.00776220 -0.01698127 0.01165226
-9.37391928 -9.11801998 18.27174796
0.00016012 -0.00025399 0.00005410
0.00953533 -0.00393339 -0.00034899
-11.61027702 -9.72189711 16.71416977
-0.00044177 0.00131455 0.00060143
0.03796600 -0.00991449 -0.00100335
8.36757023 0.34181864 -30.10311451
-0.00002652 -0.00059706 0.00007081
0.01556645 0.00542593 0.00107731
5.69197676 0.77960360 -29.14358691
-0.00029964 -0.00077064 -0.00059262
0.01252653 -0.01090183 0.01164573
12.47043386 19.57950016 12.50140414
0.00025216 -0.00075352 -0.00019420
0.00472975 0.00225170 -0.00529236
13.74093762 17.34632635 10.80349542
-0.00136921 0.00037555 -0.00039175
-0.01559367 0.01734507 0.01963206
27.70609790 7.71193597 -11.52743896
-0.00021131 -0.00001154 0.00017455
0.01759228 0.00087309 -0.01345665
25.90080421 7.27361424 -9.33554308
-0.00066670 -0.00069760 -0.00007827
-0.00327486 0.00454325 0.00962582
-7.10458669 4.57549969 6.68530338
0.00027816 -0.00009638 -0.00006500
-0.00253421 -0.00506270 -0.00561720
-8.92711994 8.73086041 3.87733920
0.00022474 -0.00009965 0.00001514
-0.00249716 -0.00844295 -0.00338881
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07958453
0.30365459
404.60451662
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4082564744 (a.u.)
total exchange computation time: 3.0541739464 s
-154.1784158544
-931.38006013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4077921239 (a.u.)
total exchange computation time: 3.0507059097 s
-154.1825714565
Anderson extrapolation: theta=1.3846642153 (1.3846642153)
-931.38028799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4070297253 (a.u.)
total exchange computation time: 3.0497829914 s
-154.1890614986
Anderson extrapolation: theta=0.0688855631 (0.0688855631)
-931.38043502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4068834766 (a.u.)
total exchange computation time: 3.0502328873 s
-154.1901191972
Anderson extrapolation: theta=2.4442714447 (2.0000000000)
-931.38044472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4065615099 (a.u.)
total exchange computation time: 3.0504779816 s
-154.1923321176
Anderson extrapolation: theta=0.4887993590 (0.4887993590)
-931.38045911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4064084274 (a.u.)
total exchange computation time: 3.0518989563 s
-154.1932645401
Anderson extrapolation: theta=0.8822237624 (0.8822237624)
-931.38046442
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4063005433 (a.u.)
total exchange computation time: 3.0514860153 s
-154.1937901396
Anderson extrapolation: theta=0.6050010277 (0.6050010277)
-931.38046834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4062663616 (a.u.)
total exchange computation time: 3.0491378307 s
-154.1938131142
Anderson extrapolation: theta=0.6524806276 (0.6524806276)
-931.38047037
73.633734 67.763566 -294.728681
546.220077 1079.960567 -416.217112
619.853811 1147.724133 -710.945793
1485.575092
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665981612
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4062691196 (a.u.)
total exchange computation time: 3.0513191223 s
679.33684417
-1084.80216226
89.77121275
-388.38182397
-174.89827311
78.84394278
551.60419304
0.00000000
-931.38047153
3.63356841 -31.30536885 -3.82917716
-0.00037028 0.00026636 -0.00004571
0.00474892 -0.00573643 -0.02805547
-11.16052108 2.22160360 -9.34481404
-0.00005947 -0.00012043 -0.00010270
-0.03417611 -0.03707685 0.00811119
-37.05183496 1.92961320 3.96983012
0.00016121 0.00013367 0.00012488
0.02417714 0.00862998 -0.00449340
-7.72306758 -3.62893558 2.97628857
0.00003029 -0.00005418 -0.00026861
-0.00186357 0.00885692 0.00608800
2.29843622 -0.03258393 9.68922155
0.00020118 0.00018583 -0.00004393
0.03323741 -0.05267085 0.01198375
-31.27830226 1.39822816 3.49752378
-0.00010445 0.00013905 -0.00007359
0.03471102 -0.02172016 0.00728260
16.44743286 13.22866977 -17.69069556
0.00015089 -0.00035321 -0.00003808
0.00577274 -0.00624356 -0.00930610
-3.28231683 4.90706404 4.15163456
-0.00021694 -0.00012351 -0.00051880
0.01156227 0.01234918 0.04156792
4.84347905 17.38345952 -6.59242178
0.00013007 -0.00000192 -0.00034168
-0.01708064 -0.05193613 -0.03918474
8.29316866 7.35068690 -21.21177847
-0.00000371 0.00047663 -0.00025274
-0.01221873 -0.01416942 -0.02379205
19.82844508 18.82953175 -5.34837694
0.00049597 -0.00007896 0.00015109
-0.01158137 -0.02029308 0.00347458
2.03731277 14.67715214 -21.41536953
0.00013383 -0.00003446 0.00007134
-0.00918136 0.00539068 -0.00957460
10.50629209 -5.54474744 0.05827092
0.00017538 0.00007969 -0.00009418
0.03350274 0.01613386 0.02081952
-16.51117561 -5.55416131 4.82166815
0.00016914 -0.00008251 -0.00020816
0.01024281 -0.00599710 0.01439787
-14.22312175 -1.53009126 20.74966165
0.00009864 0.00006690 -0.00006759
0.00589551 -0.01313251 0.00467009
0.80201322 3.66300101 -4.80354537
-0.00051000 -0.00011162 -0.00013947
-0.01881515 -0.01842976 0.02309886
20.90189402 -9.57639585 -4.20787287
-0.00031821 0.00006011 -0.00030007
0.00826872 -0.00256895 -0.00367038
2.78552290 -10.84317674 6.74208905
0.00008786 -0.00014664 0.00002807
-0.01610878 -0.00011665 0.02594450
-1.82275644 -1.79077160 -19.41939971
-0.00023037 -0.00027204 0.00007262
-0.00157693 0.01054890 -0.00724468
-0.59990833 5.15434580 -11.25889343
0.00017823 0.00040332 -0.00007662
0.01787934 0.03925432 -0.06312579
-4.88073124 15.47959163 13.58619039
0.00009532 0.00013554 0.00058076
-0.00547660 0.01248214 0.02600182
-4.96931858 3.09352007 -7.96104087
-0.00007111 0.00012654 -0.00046682
0.00256073 0.01038448 -0.00304926
-8.62849225 0.07723021 -4.40042995
0.00027167 -0.00017941 0.00019211
0.02641003 0.03107847 -0.00484322
2.97709821 27.82814204 5.68644465
0.00015845 -0.00018834 -0.00027240
0.00078228 -0.00162315 -0.01600516
8.68825005 -9.60121205 -2.09300110
-0.00014804 0.00003086 0.00000343
-0.03746974 -0.03129852 -0.01246851
-6.28672268 1.39602476 9.94151470
0.00031393 -0.00011457 0.00033767
-0.02935148 -0.03175547 -0.00840432
19.76866175 9.56343888 5.99081130
0.00011246 -0.00007919 -0.00025081
-0.05532257 -0.01569957 0.00617703
-3.40933634 0.61159757 -24.30060987
-0.00017668 -0.00016220 -0.00010114
0.04359757 0.00139549 0.03201346
-13.63631256 8.45050073 9.45645163
-0.00003725 0.00011972 -0.00013209
-0.00041807 -0.00464900 0.01201520
-13.78385168 5.76353719 -3.90957342
0.00027821 -0.00002849 0.00000446
0.00423000 -0.04262464 -0.03754014
-3.79214482 -15.07935240 21.22324225
0.00008942 0.00012951 0.00028501
-0.00456487 -0.00813566 0.00592526
-6.32691382 8.56792792 -6.51803824
-0.00021138 0.00014849 0.00033530
0.00164371 0.02554365 0.00212988
-19.77718076 30.34158085 1.27461128
0.00004421 0.00031986 0.00017706
0.04300364 0.00187356 0.00529210
10.29504726 3.63481260 8.12532293
-0.00015178 0.00013919 -0.00016694
0.02391900 0.06118574 0.03872173
7.43469140 16.51318842 -11.73915170
-0.00019544 0.00009018 0.00003683
-0.00374156 -0.00329659 0.01548154
14.04585459 4.50541020 -0.63856148
-0.00003769 -0.00028704 0.00061894
0.02751215 -0.04690420 0.00589612
-5.72423035 11.86487520 -1.30209412
-0.00053398 0.00006968 0.00017849
-0.01285723 0.01375182 0.00867708
8.34391332 11.46059744 4.92839083
0.00028376 -0.00075897 -0.00004828
-0.01965392 -0.00243680 0.01044081
19.86262757 -11.16572772 -10.54419479
0.00008499 0.00007492 -0.00040107
0.01482030 -0.04023244 0.00343466
19.23151087 -5.83440180 -0.19893099
0.00011731 0.00013075 0.00020175
-0.00849459 0.00348917 -0.00007551
15.92879803 7.60432772 9.61329700
-0.00020222 -0.00013278 0.00005465
-0.00022767 -0.00783236 -0.00712671
3.84053534 -14.61586604 16.57266194
-0.00018494 -0.00006547 -0.00000535
-0.02349442 0.02917621 0.02607788
-3.67790030 -2.54980795 -13.93533739
-0.00029204 -0.00009955 -0.00034816
0.01040683 0.03217861 -0.00637023
16.25648536 -6.50679694 -13.21330197
0.00021277 0.00032761 0.00025589
-0.01923856 -0.01795013 -0.02360604
10.57365171 -4.43636504 6.50376626
-0.00008192 -0.00025154 0.00022304
0.04631420 -0.00243069 0.00147424
-19.53361736 0.84415264 25.12380034
-0.00015206 0.00010647 0.00028810
-0.04079082 -0.01955232 -0.01979218
24.04517729 -0.74601120 -7.44344872
-0.00012206 0.00007379 0.00009273
-0.00389958 -0.01495264 0.01797914
11.50141801 -9.74605833 -11.21282955
0.00013578 0.00009300 0.00012824
0.01810653 -0.00263814 0.01319580
-9.71581515 -9.94904710 16.68145875
0.00000151 0.00001371 0.00032004
-0.04452088 0.01333091 -0.00220419
7.36437345 0.14010026 -28.59396391
-0.00001535 -0.00039281 -0.00010545
-0.03118389 0.00810343 -0.00476031
12.58200104 17.78407402 12.25474948
0.00004416 0.00012195 0.00004038
0.01429336 -0.01843909 -0.01180624
25.95198563 7.45433332 -11.15678559
0.00020042 0.00027657 -0.00008412
-0.01621973 0.00070817 0.00817202
3.75084814 -29.78048937 -4.90227466
0.00076661 0.00076270 -0.00016201
0.00726647 -0.00315473 0.00382259
3.35981334 -30.68541558 -2.14878515
-0.00020133 0.00090400 0.00010268
-0.00257095 0.01336105 0.02641032
-9.72574121 3.08686145 -8.84812956
-0.00000696 -0.00093391 -0.00041044
0.03511358 0.02113686 0.01262860
-11.57321153 2.63800938 -11.05506249
-0.00019236 0.00013771 0.00049649
-0.00198574 0.01125927 -0.02258917
-36.82097244 3.48155400 3.01991358
0.00056128 0.00044418 -0.00054125
-0.00779520 -0.00015245 0.00308928
-38.83568833 1.52225384 3.80850235
0.00135062 0.00040168 0.00092375
-0.00311115 -0.00459765 -0.00135727
-9.09974615 -4.07045826 1.82337112
-0.00049232 -0.00131071 0.00074387
0.00337461 -0.01215912 -0.00445584
-6.28277861 -4.69289306 2.63541067
0.00002654 -0.00032890 -0.00010571
-0.00533946 -0.00433364 -0.00239721
3.50007641 -1.34669804 8.99617226
0.00028329 -0.00041262 -0.00062075
-0.02586684 0.03129120 0.00791311
1.77715386 0.99561633 8.34406867
-0.00081811 -0.00036827 -0.00021271
-0.00551667 0.01821327 -0.02460828
-30.82738702 -0.42397430 3.82973336
0.00014989 -0.00053265 0.00010182
-0.00471356 0.02466325 -0.01098340
-33.05776484 1.46327363 3.37588135
-0.00017635 -0.00089380 0.00108623
-0.02504344 -0.00389288 0.00161063
15.50232092 11.89792226 -18.64878085
0.00022338 0.00150711 0.00043548
0.00204768 0.01716563 0.01656718
17.98757028 12.28374472 -17.26173133
0.00000539 0.00021282 -0.00002694
-0.00756642 0.00207170 -0.00173076
-2.76072057 6.50466709 5.08083883
0.00072230 -0.00060688 -0.00077514
-0.00383419 -0.02660558 -0.01126181
-3.77294698 5.66464098 2.62727740
0.00046173 0.00022653 -0.00017105
-0.00547357 0.00830059 -0.03315729
5.88676469 16.90047008 -8.10150677
-0.00029714 0.00109482 0.00049415
-0.01087275 0.01360698 0.01455350
5.64155897 18.67959223 -5.73214223
-0.00086102 -0.00076790 0.00065976
0.03011600 0.03272172 0.01816178
9.01249027 6.40401156 -22.63018498
0.00055996 0.00002393 0.00068917
-0.01622096 0.00686502 -0.00441833
9.65006547 7.43262619 -20.05326824
0.00024694 0.00027712 0.00001068
0.01886781 0.01243225 0.02441761
19.65348108 20.21442623 -4.21323624
0.00048060 0.00034997 -0.00147336
-0.01311471 0.01716855 0.02320423
20.92097629 19.64232902 -6.49146304
0.00081074 0.00040516 0.00037353
0.02161506 0.00706375 -0.02602376
1.86238695 12.99037889 -20.74963523
-0.00105699 -0.00013564 0.00058686
-0.00396865 0.00186719 0.00560634
0.32423288 15.26310457 -21.94216473
-0.00087238 -0.00076913 -0.00001271
0.01015419 -0.00773978 0.00814096
9.79702568 -7.09559693 -0.45661528
-0.00037589 -0.00050667 -0.00021731
-0.01077367 -0.02483191 -0.00968014
9.27858215 -4.30326334 -0.35172126
-0.00025473 0.00022663 -0.00001151
-0.01353538 0.01915666 -0.00604577
-17.05199077 -6.53291667 6.26899519
-0.00036517 0.00006197 -0.00070691
0.00166254 0.00481893 0.00252805
-18.01912556 -5.32895239 3.87843818
0.00032612 -0.00002780 0.00072874
-0.01339283 -0.00053083 -0.01592338
-14.26236614 -0.95183354 19.04954788
0.00001119 -0.00012697 0.00114169
-0.00024686 0.00765388 -0.02051849
-15.05305211 -0.26234968 21.69289998
-0.00016752 0.00013893 -0.00093426
-0.01029684 0.01220323 0.01574577
-0.18736048 2.92335630 -3.36900480
0.00003024 0.00026024 0.00049954
0.01363183 0.01095929 -0.02736932
0.97672100 2.25435634 -6.00432499
0.00076046 0.00045491 -0.00008513
0.00020781 0.00615909 0.01183271
20.00043742 -9.08310718 -5.76637198
-0.00017856 0.00016905 -0.00075340
0.02807282 -0.00155194 0.01451819
22.85763553 -9.40555366 -4.14900584
-0.00009595 0.00062824 0.00002793
-0.04503152 -0.00005957 -0.01939546
4.53118722 -11.23328499 6.60737483
-0.00154694 0.00054953 0.00018951
0.01951900 -0.00467067 -0.01423902
2.50034879 -11.48910015 8.45904376
-0.00009725 0.00092545 -0.00064850
-0.00249076 0.00686229 -0.00898755
-2.65507050 -3.09432231 -20.44522726
0.00066135 0.00058112 0.00098193
0.00299928 -0.00094655 0.01377237
-2.73959521 -1.40967993 -17.87424805
-0.00087587 -0.00031416 0.00030357
-0.00109066 -0.00929289 -0.00759853
1.19045924 5.74862580 -11.47560131
-0.00088482 -0.00014325 -0.00020220
-0.02398019 -0.01581342 0.01954188
-0.98155875 4.33611062 -9.77685146
-0.00053102 0.00024562 0.00016690
-0.00348742 -0.02178974 0.04740931
-4.12415784 16.70610710 14.76143688
-0.00062589 -0.00002019 -0.00119481
0.00570894 -0.00688331 -0.00442498
-6.63779660 16.05359919 13.71402197
0.00017281 0.00034125 -0.00064925
0.00346527 -0.00761955 -0.00326437
-5.40460958 2.10553215 -6.52423219
0.00059223 0.00019076 -0.00056822
-0.00363471 -0.00849418 0.00877019
-5.50738033 2.12968031 -9.47480027
0.00083517 -0.00025379 0.00019748
0.00244564 0.00771043 0.00469104
-9.29898426 -1.55739526 -4.39922127
0.00023225 -0.00064879 -0.00032909
-0.01645559 -0.02317586 0.00848949
-9.40163601 1.15616351 -3.15125777
-0.00080658 -0.00015236 0.00123892
-0.00554067 -0.00525142 0.00133965
2.42922094 29.07659395 4.39419595
0.00009459 -0.00072406 0.00102634
0.00199226 -0.01042901 0.02099633
2.40727212 28.23383855 7.36233460
-0.00113127 -0.00048497 -0.00005826
-0.00150032 0.00746361 -0.00859618
7.09718825 -10.04596367 -3.12361344
-0.00069921 0.00102397 0.00035605
0.03248474 0.01356573 0.03206135
8.92760658 -10.98665585 -0.85758979
0.00057426 -0.00020087 -0.00013500
-0.00622369 0.00722666 -0.01504631
-5.51169259 -0.28072007 9.62651915
-0.00013009 0.00104517 -0.00014769
0.01994709 0.00597746 -0.00956963
-8.03391231 0.75343855 9.95953807
-0.00015139 0.00027482 -0.00020771
0.00630654 0.01882299 0.00269915
19.26928343 9.61913147 7.74900285
-0.00040750 0.00048041 -0.00115439
-0.00879998 -0.00378951 0.00398948
21.36419082 10.19573467 6.04645551
0.00013403 -0.00057740 0.00000999
0.07245751 0.02384339 -0.00566493
-2.95121321 0.57362027 -22.45167136
-0.00024505 0.00044895 0.00134263
-0.01194394 -0.00359613 -0.02866752
-5.17672506 0.52028272 -24.44732960
0.00122349 -0.00055950 -0.00061596
-0.03120667 -0.00090267 -0.00107856
-12.80224788 9.54305380 10.66282908
-0.00026657 0.00004288 -0.00002676
0.00527540 -0.00182242 0.00209074
-13.52474353 9.53668356 8.00574547
-0.00070294 -0.00018718 -0.00010447
-0.00506197 0.00692697 -0.02188954
-13.76200706 4.13278003 -4.93867000
0.00018925 -0.00055527 -0.00037292
0.00552695 0.03059160 0.02770630
-14.96653759 6.70301667 -4.96233688
-0.00015869 -0.00069098 0.00044781
-0.00481132 0.00440653 0.01183760
-5.35138856 -16.11012745 21.17513204
-0.00050968 0.00005478 -0.00083509
0.00235418 0.00460742 -0.00074594
-3.00404640 -15.39389087 19.62415951
0.00017384 0.00028943 -0.00018157
0.00222630 0.00182106 -0.00624999
-6.52599605 6.79276138 -6.58689075
-0.00001497 0.00050454 -0.00007627
-0.00232116 -0.02007291 0.00286922
-7.59855614 9.34309898 -5.39866126
-0.00113609 -0.00048902 -0.00061630
0.00608087 -0.00842511 -0.01427604
-20.83325924 31.00901225 -0.00556369
-0.00080618 -0.00034861 0.00054728
-0.00746136 0.00378300 -0.01278497
-17.94180136 30.58695087 0.82551074
0.00041892 -0.00074801 -0.00084057
-0.03345961 -0.00591590 0.00563610
9.14866485 3.11077734 6.91433924
-0.00017034 0.00021554 0.00066470
-0.03582891 -0.02308787 -0.03696843
9.79660317 5.49757150 8.41858287
-0.00056029 0.00070893 0.00028686
0.00978069 -0.03553349 -0.00100482
8.50375625 17.88345808 -12.35483722
-0.00021463 -0.00038196 0.00047506
-0.00052150 -0.01334264 -0.00166411
8.63059875 15.17686729 -11.27019685
0.00015540 -0.00023949 -0.00031841
-0.00413068 0.01064111 -0.00590008
12.80910429 5.56990770 0.04925539
0.00073906 -0.00002610 -0.00083164
-0.01497279 0.02270962 0.01289302
14.39011775 3.27727707 0.79419656
0.00020734 -0.00050952 -0.00007664
-0.01303076 0.01775169 -0.01849561
-4.63293553 11.72975522 -2.72964433
0.00058410 -0.00016677 -0.00079596
0.01376479 0.00034355 -0.01111028
-5.43763927 10.24603588 -0.50820887
0.00066532 -0.00041600 -0.00147411
0.00121178 -0.00473437 0.00161230
7.79673137 13.18721814 4.75600890
-0.00072233 0.00045828 -0.00006029
0.00294586 0.00760222 -0.00279883
10.11147217 11.37519645 4.54977613
0.00050436 -0.00041048 0.00006393
0.01397722 -0.00203466 -0.00430565
18.78430497 -11.16284446 -9.03555025
0.00043341 0.00100928 0.00092940
0.00770979 -0.00366503 -0.01048632
20.67162666 -12.93117772 -10.59038367
0.00020632 -0.00063037 0.00046937
-0.02070973 0.03747529 0.00663354
18.90641882 -4.98368321 -1.78611382
0.00037476 0.00090272 -0.00028420
0.00595296 -0.00620552 -0.00260141
18.18879891 -7.37695945 -0.28815789
0.00053738 0.00047322 0.00042749
0.00133784 -0.00216670 0.00104290
15.08095742 9.16143712 9.33710899
-0.00049138 -0.00077856 0.00004346
-0.00989293 0.01166012 -0.00430253
16.57623634 7.72711379 11.28571376
0.00011537 0.00061219 -0.00016590
0.00430936 -0.00186254 0.01414497
2.67007104 -15.66551646 17.57675300
0.00038785 0.00002021 0.00050836
0.01039383 -0.01554422 -0.01880673
3.29921845 -12.97900415 17.32496313
-0.00045563 -0.00074929 -0.00016235
0.01682552 -0.00829393 -0.02100916
-4.17314083 -4.29476099 -13.64464559
-0.00077528 0.00009476 -0.00029588
-0.00609841 -0.01140424 0.00376176
-1.97706873 -2.28214910 -13.37352530
-0.00089756 0.00006229 -0.00018291
0.00484469 -0.00126201 0.00227386
16.02163595 -7.34766700 -14.90436934
-0.00007939 0.00036092 0.00035341
0.00571782 -0.00229740 0.01023007
17.19210730 -7.58630027 -12.07082217
-0.00004415 0.00084782 0.00009108
0.00088176 -0.00127109 0.00125005
9.46309727 -4.38498852 5.08313496
-0.00104930 0.00059087 0.00114458
-0.00936099 -0.00204589 -0.00840070
12.33411027 -4.60733162 5.77423005
0.00053853 0.00080360 0.00045913
-0.03520267 0.00711568 0.00709941
-21.16205252 0.01553686 24.53542067
0.00033107 -0.00040054 0.00024045
0.03206029 -0.00002341 0.01580614
-20.14974552 2.51921854 25.37586074
-0.00008747 0.00074093 -0.00079829
0.00094078 0.02026472 0.00933681
24.58005885 -2.50586004 -7.13431137
0.00008929 -0.00004859 0.00055024
0.00471556 0.01027347 0.00143228
24.10191634 -0.62443366 -9.23806115
-0.00018722 -0.00031471 0.00047347
-0.00164351 0.00916785 -0.02665723
12.49937241 -10.28883348 -9.70790960
-0.00057242 0.00021584 0.00007718
-0.01029759 0.01716890 -0.01714669
12.47232481 -8.43818754 -12.11205595
-0.00007802 -0.00028949 0.00023167
-0.00635724 -0.01533797 0.01057060
-9.37122525 -9.12195039 18.27254881
0.00020107 -0.00026798 0.00005741
0.01050621 -0.00291421 0.00196728
-11.61574015 -9.70248272 16.72316042
-0.00028119 0.00127202 0.00059674
0.04063910 -0.01090362 -0.00128921
8.36764950 0.33302900 -30.10201939
0.00003822 -0.00057463 0.00007321
0.01612333 0.00555530 0.00009716
5.68786598 0.76770999 -29.15211931
-0.00024541 -0.00081589 -0.00054405
0.01402019 -0.01125213 0.01212962
12.47436120 19.56826639 12.49832891
0.00026991 -0.00072930 -0.00021339
0.00395825 0.00960553 -0.00409758
13.71992159 17.35249106 10.79822069
-0.00142847 0.00044425 -0.00031593
-0.01341362 0.01628500 0.01748399
27.70346739 7.71178963 -11.52523302
-0.00013293 -0.00000703 0.00011944
0.02077265 0.00133622 -0.01352371
25.89070330 7.26328942 -9.33642223
-0.00067858 -0.00067833 -0.00004187
-0.00253869 0.00489102 0.00819467
-7.10042103 4.57404043 6.68431324
0.00027722 -0.00009816 -0.00006703
-0.00274598 -0.00489283 -0.00571444
-8.92375314 8.72935090 3.87756039
0.00022410 -0.00010164 0.00001437
-0.00302059 -0.00869143 -0.00325269
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07974226
0.30072927
400.70667937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4186913709 (a.u.)
total exchange computation time: 3.1520588398 s
-154.2145952741
-931.37608683
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4181158420 (a.u.)
total exchange computation time: 3.1520228386 s
-154.2199577812
Anderson extrapolation: theta=1.3607944233 (1.3607944233)
-931.37631918
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4172514851 (a.u.)
total exchange computation time: 3.1517438889 s
-154.2278892159
Anderson extrapolation: theta=0.0576679171 (0.0576679171)
-931.37646186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4171409127 (a.u.)
total exchange computation time: 3.1534161568 s
-154.2288729089
Anderson extrapolation: theta=2.1256644519 (2.0000000000)
-931.37646853
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4169112205 (a.u.)
total exchange computation time: 3.1512341499 s
-154.2308867923
Anderson extrapolation: theta=0.3036174111 (0.3036174111)
-931.37647681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4168508597 (a.u.)
total exchange computation time: 3.1532530785 s
-154.2313901162
Anderson extrapolation: theta=1.4567352293 (1.4567352293)
-931.37647891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4167910837 (a.u.)
total exchange computation time: 3.1517539024 s
-154.2318546239
Anderson extrapolation: theta=0.3797992981 (0.3797992981)
-931.37648124
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4167953224 (a.u.)
total exchange computation time: 3.1529150009 s
-154.2317788646
Anderson extrapolation: theta=1.0386124557 (1.0386124557)
-931.37648204
73.655318 67.762883 -294.686194
546.157952 1079.995198 -416.214176
619.813270 1147.758080 -710.900370
1485.562667
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4168184436 (a.u.)
total exchange computation time: 3.1516129971 s
679.50366719
-1085.16707884
89.76218966
-388.13235934
-174.92608291
79.04528953
551.60419304
0.00000000
-931.37648268
3.62803247 -31.30139562 -3.82997110
-0.00036783 0.00026449 -0.00005990
0.00480206 -0.00154189 -0.02711890
-11.16154497 2.21965409 -9.34632323
-0.00007758 -0.00014006 -0.00009801
-0.03623233 -0.03924905 0.01012871
-37.04932353 1.93165159 3.97168595
0.00017608 0.00013960 0.00012215
0.03365017 0.01440584 -0.00613031
-7.72262035 -3.62971414 2.97228288
0.00002945 -0.00004985 -0.00026550
-0.00143310 0.00797945 0.00601988
2.30158218 -0.02999969 9.68860880
0.00021866 0.00015850 -0.00003837
0.03472844 -0.05359434 0.00962761
-31.27973506 1.40023012 3.49644801
-0.00008651 0.00012678 -0.00006963
0.03504224 -0.02599826 0.00811643
16.44971853 13.22334757 -17.69130258
0.00015445 -0.00035409 -0.00004163
0.00804558 0.00282485 -0.00452519
-3.28552630 4.90525898 4.14401296
-0.00021079 -0.00011773 -0.00049714
0.01232874 0.01014756 0.04266218
4.84536418 17.38323041 -6.59769813
0.00011978 -0.00002881 -0.00036084
-0.02293417 -0.05262430 -0.03533170
8.29306591 7.35778173 -21.21566141
-0.00000931 0.00046952 -0.00026401
-0.00956958 -0.01347494 -0.02000409
19.83583996 18.82826906 -5.34609714
0.00049073 -0.00008975 0.00015155
-0.00881462 -0.02167069 -0.00169032
2.03928483 14.67665609 -21.41433636
0.00012776 -0.00003232 0.00006649
-0.01440915 0.00291904 -0.00929712
10.50905195 -5.54348990 0.05693848
0.00019127 0.00008706 -0.00008422
0.02828901 0.01253601 0.01794147
-16.50859904 -5.55542202 4.81860127
0.00017540 -0.00008555 -0.00020048
0.01409429 -0.00585213 0.01546536
-14.22161945 -1.52913834 20.74866578
0.00010180 0.00005925 -0.00006312
0.00639740 -0.01664057 0.01272817
0.79429067 3.66125568 -4.80554831
-0.00051954 -0.00012027 -0.00012720
-0.01828483 -0.01521123 0.02461935
20.89715274 -9.57550413 -4.21238814
-0.00031419 0.00005895 -0.00030242
0.00737942 -0.00195245 -0.00545216
2.78677862 -10.84537677 6.74261019
0.00007605 -0.00014524 0.00004016
-0.02979210 0.00554679 0.02105105
-1.82621802 -1.79481153 -19.41833838
-0.00023053 -0.00026451 0.00007123
0.00094232 0.01874373 0.00186236
-0.59716585 5.16054704 -11.26028627
0.00018533 0.00042221 -0.00010761
0.00972958 0.03419204 -0.05737935
-4.87932259 15.48167287 13.59500206
0.00009151 0.00014022 0.00059227
-0.00934662 0.00570085 0.01875764
-4.97037541 3.09545823 -7.96805493
-0.00006936 0.00013258 -0.00046800
0.00427213 0.01308744 -0.00155952
-8.62431530 0.07465887 -4.39756697
0.00028373 -0.00016322 0.00019118
0.02046945 0.03191439 0.00124362
2.97947792 27.82531072 5.68229689
0.00015897 -0.00019012 -0.00027810
0.00124858 -0.00529655 -0.00617091
8.68588485 -9.60086989 -2.09299773
-0.00016709 0.00001493 -0.00000276
-0.03657515 -0.03064587 -0.01161448
-6.28212689 1.39418371 9.94654739
0.00029763 -0.00012940 0.00033345
-0.03403255 -0.02592882 -0.00803763
19.77013528 9.56219048 5.98707294
0.00008450 -0.00008723 -0.00024901
-0.05339578 -0.01556857 0.00081788
-3.41181831 0.60917002 -24.30200348
-0.00015075 -0.00016120 -0.00008259
0.05723579 0.00248079 0.04012176
-13.63687289 8.45227862 9.45451657
-0.00003756 0.00011689 -0.00012564
-0.00080367 -0.00634674 0.01308792
-13.77966222 5.76294543 -3.90965138
0.00028070 -0.00005137 -0.00001492
0.00544801 -0.04635201 -0.03780971
-3.79082109 -15.07744108 21.22754027
0.00008669 0.00012467 0.00028707
-0.00607796 -0.01068368 0.00208043
-6.33007821 8.57025384 -6.51300060
-0.00021026 0.00016204 0.00033623
0.00272476 0.02713626 0.00148779
-19.77635177 30.34638604 1.27728755
0.00006673 0.00032076 0.00017966
0.04456026 0.00160334 0.00481152
10.29286288 3.63713650 8.12296818
-0.00013888 0.00017163 -0.00014607
0.02623097 0.06494913 0.04244714
7.43174535 16.51452839 -11.73853950
-0.00019738 0.00008733 0.00004523
-0.00380454 -0.00779033 0.01716956
14.04539532 4.50092363 -0.62925458
-0.00002199 -0.00031210 0.00062043
0.03353361 -0.05051498 -0.00012651
-5.73228969 11.86597352 -1.29938337
-0.00053857 0.00007640 0.00018030
-0.00497781 0.01235440 -0.00160249
8.34809386 11.44920353 4.92770683
0.00027302 -0.00075760 -0.00004320
-0.02208799 0.00775612 0.00932862
19.86395963 -11.16475908 -10.55019760
0.00009202 0.00005365 -0.00039794
0.01251110 -0.04249285 0.00874508
19.23323776 -5.83242712 -0.19590508
0.00011333 0.00013381 0.00020068
-0.00699986 0.00840143 -0.00406730
15.92576383 7.60230578 9.61408931
-0.00020194 -0.00013754 0.00005119
0.00131629 -0.01066554 -0.00633271
3.83767057 -14.61673555 16.57268231
-0.00019666 -0.00005132 0.00000768
-0.02208722 0.02585568 0.02459809
-3.68224072 -2.55117713 -13.94058432
-0.00028758 -0.00008295 -0.00035188
0.00692454 0.03237518 -0.00810720
16.25960273 -6.50195209 -13.20955462
0.00020225 0.00031897 0.00024313
-0.02168221 -0.01564334 -0.02601402
10.57260155 -4.44014752 6.50711753
-0.00005764 -0.00025273 0.00022417
0.04810370 -0.00219436 0.00290920
-19.53605562 0.84567434 25.12804549
-0.00017294 0.00009729 0.00027812
-0.04040393 -0.01616489 -0.01900015
24.04333138 -0.74496210 -7.44198845
-0.00012393 0.00006567 0.00010281
-0.00337443 -0.01659300 0.02121741
11.50352450 -9.74467351 -11.21085505
0.00014416 0.00009132 0.00013477
0.01449264 -0.00390156 0.01218986
-9.71596428 -9.94878997 16.68625088
-0.00002204 0.00002050 0.00031838
-0.04704218 0.01307165 -0.00425623
7.36402293 0.13423931 -28.59556406
-0.00003172 -0.00038862 -0.00010780
-0.03248709 0.00820659 -0.00437167
12.58271861 17.78583221 12.25530959
0.00005104 0.00011093 0.00003474
0.01245489 -0.02442924 -0.01009777
25.95492942 7.45848459 -11.15801590
0.00019121 0.00027674 -0.00007950
-0.01960160 -0.00003644 0.00979637
3.76256997 -29.76914558 -4.90458773
0.00079506 0.00074385 -0.00014344
0.00665871 -0.00606899 0.00527141
3.35671461 -30.67144612 -2.14643568
-0.00021132 0.00095562 0.00020592
-0.00231982 0.01190766 0.02412451
-9.72476959 3.07350046 -8.85389920
0.00014273 -0.00084435 -0.00035659
0.03816149 0.02270267 0.01373074
-11.57615778 2.64042001 -11.04830741
-0.00020218 0.00018513 0.00039787
-0.00282078 0.01195541 -0.02568210
-36.81279210 3.48821197 3.01188945
0.00052758 0.00043506 -0.00052332
-0.00870351 -0.00430971 0.00568754
-38.81552436 1.52813809 3.82231703
0.00131979 0.00037978 0.00091630
-0.01197888 -0.00611799 -0.00229110
-9.10702747 -4.09049157 1.83439270
-0.00047847 -0.00135963 0.00072540
0.00340207 -0.01178353 -0.00458868
-6.28254408 -4.69795933 2.63375161
0.00000344 -0.00034528 -0.00011502
-0.00596803 -0.00368731 -0.00216366
3.50353317 -1.35192842 8.98710346
0.00017355 -0.00028007 -0.00058581
-0.02785459 0.03359298 0.00919009
1.76471311 0.99065041 8.34012391
-0.00083980 -0.00029645 -0.00031094
-0.00509819 0.01694013 -0.02347547
-30.82528308 -0.43120832 3.83092409
0.00013005 -0.00042488 0.00005532
-0.00500098 0.02809242 -0.01178043
-33.06117750 1.44974738 3.39222419
-0.00027854 -0.00090843 0.00109276
-0.02498047 -0.00326767 0.00158500
15.50573435 11.92105489 -18.64174105
0.00022356 0.00156302 0.00049290
-0.00195967 0.01020496 0.01154456
17.98741926 12.28700046 -17.26218847
-0.00002164 0.00021767 -0.00003367
-0.00566541 0.00030499 -0.00156275
-2.75000360 6.49474863 5.06886665
0.00070656 -0.00071297 -0.00081846
-0.00387092 -0.02532652 -0.00994392
-3.76618872 5.66829322 2.62369555
0.00043753 0.00026225 -0.00031145
-0.00637453 0.00918782 -0.03556799
5.88197442 16.91730934 -8.09364856
-0.00033315 0.00114607 0.00054206
-0.00675446 0.01147960 0.00889780
5.62956648 18.66907641 -5.72168927
-0.00073423 -0.00062849 0.00073871
0.03194740 0.03552280 0.02048265
9.02039262 6.40458086 -22.61998276
0.00049427 0.00005010 0.00066716
-0.01593517 0.00594669 -0.00635662
9.65434774 7.43716397 -20.05235976
0.00031840 0.00032835 0.00010706
0.01611217 0.01264253 0.02276169
19.66028825 20.22020182 -4.23462564
0.00042435 0.00042745 -0.00136982
-0.01442114 0.02076267 0.02748124
20.93379970 19.64862287 -6.48665756
0.00089616 0.00042947 0.00026932
0.02019797 0.00483728 -0.02498505
1.84641043 12.98840148 -20.74066053
-0.00106992 -0.00012317 0.00060754
-0.00236073 0.00423665 0.00451607
0.31145833 15.25133050 -21.94210588
-0.00082340 -0.00079996 0.00002185
0.01382124 -0.00735136 0.00877403
9.79105712 -7.10395792 -0.46017153
-0.00041450 -0.00059594 -0.00025288
-0.00812396 -0.01886647 -0.00773050
9.27434641 -4.29927684 -0.35207916
-0.00030465 0.00029964 -0.00003430
-0.01090020 0.01658105 -0.00510821
-17.05741740 -6.53183950 6.25846905
-0.00035804 0.00007866 -0.00069129
0.00182762 0.00335329 0.00511569
-18.01464411 -5.32938567 3.88888128
0.00026320 -0.00002735 0.00065633
-0.01740662 0.00075382 -0.01951904
-14.26220588 -0.95350354 19.06604452
0.00001097 -0.00009089 0.00103731
0.00013970 0.01000891 -0.03057751
-15.05588051 -0.25989177 21.67936864
-0.00021168 0.00019112 -0.00086582
-0.01131566 0.01334293 0.01775284
-0.18648910 2.92759570 -3.36235034
0.00008569 0.00030311 0.00038604
0.01351034 0.01002634 -0.02819190
0.98813427 2.26136870 -6.00523936
0.00076021 0.00047555 -0.00003814
-0.00033150 0.00394664 0.01116839
19.99861924 -9.08061902 -5.77722812
-0.00006249 0.00016208 -0.00069013
0.02874574 -0.00186030 0.01645358
22.85481639 -9.39613191 -4.14918126
-0.00028087 0.00062745 -0.00005108
-0.04548995 -0.00032644 -0.01927730
4.50858119 -11.22518521 6.60978113
-0.00143664 0.00052370 0.00012823
0.03447551 -0.00797276 -0.01575853
2.49881376 -11.47500815 8.44904078
-0.00011016 0.00094862 -0.00067212
-0.00382999 0.00448106 -0.00257177
-2.64505829 -3.08563458 -20.43007635
0.00066398 0.00056251 0.00102587
-0.00171217 -0.00816265 0.00774090
-2.75276675 -1.41467708 -17.86992739
-0.00087586 -0.00035339 0.00026662
0.00109616 -0.00990944 -0.01048496
1.17645216 5.74599246 -11.47803546
-0.00096915 -0.00020366 -0.00012312
-0.01730219 -0.01375623 0.01916523
-0.98963098 4.33912725 -9.77289514
-0.00054259 0.00016238 0.00035011
-0.00217258 -0.01895616 0.04227164
-4.13337129 16.70559326 14.74337916
-0.00059331 -0.00003484 -0.00119923
0.01024041 -0.00028329 0.00226290
-6.63509823 16.05848441 13.70418319
0.00018545 0.00031009 -0.00066211
0.00271958 -0.00763084 -0.00303167
-5.39583749 2.10813326 -6.53248671
0.00057664 0.00015410 -0.00052832
-0.00399514 -0.00945040 0.01076004
-5.49477783 2.12610978 -9.47169427
0.00084266 -0.00022542 0.00021083
0.00121871 0.00617306 0.00184026
-9.29600484 -1.56783730 -4.40389752
0.00016867 -0.00073470 -0.00029445
-0.01466624 -0.01887616 0.00846649
-9.41390450 1.15371717 -3.13263299
-0.00082073 -0.00018450 0.00123172
-0.00138476 -0.01048306 -0.00486235
2.43070085 29.06541343 4.41023442
0.00009855 -0.00075593 0.00109967
-0.00005662 -0.00517128 0.01489996
2.39025702 28.22679277 7.36119724
-0.00113382 -0.00045733 -0.00010062
0.00025371 0.00606518 -0.01213901
7.08769559 -10.03018843 -3.11729026
-0.00056692 0.00107724 0.00048695
0.03227118 0.01250878 0.03201453
8.93602973 -10.98944740 -0.86007579
0.00054720 -0.00017037 -0.00019810
-0.00702319 0.00769958 -0.01584444
-5.51303271 -0.26485940 9.62401061
-0.00004364 0.00105687 -0.00018873
0.02237051 -0.00025009 -0.01052207
-8.03598990 0.75813760 9.95650513
-0.00012173 0.00035247 -0.00019635
0.00821249 0.01918825 0.00286319
19.26290122 9.62622145 7.73180926
-0.00044625 0.00046493 -0.00112754
-0.01016473 -0.00378461 0.00915157
21.36842155 10.18780426 6.04643172
0.00042947 -0.00048051 -0.00001272
0.07216464 0.02358675 -0.00544841
-2.95525491 0.58024440 -22.43241035
-0.00029732 0.00043362 0.00121079
-0.01364480 -0.00390967 -0.03586876
-5.15932890 0.51186259 -24.45660206
0.00107149 -0.00056454 -0.00062197
-0.04320165 -0.00156619 -0.00186359
-12.80608474 9.54364118 10.66249175
-0.00024448 0.00003621 -0.00001834
0.00553611 -0.00144396 0.00202947
-13.53544276 9.53408809 8.00350771
-0.00072293 -0.00015644 -0.00019643
-0.00472425 0.00812211 -0.02312491
-13.75899898 4.12538833 -4.94341480
0.00021204 -0.00042550 -0.00025677
0.00562908 0.03293642 0.02915036
-14.96906533 6.69278703 -4.95525700
-0.00018103 -0.00066995 0.00049342
-0.00612776 0.00588641 0.01048874
-5.35896158 -16.10916450 21.16258277
-0.00049471 0.00007701 -0.00083623
0.00497229 0.00626972 0.00019066
-3.00137058 -15.38949363 19.62124450
0.00018049 0.00029843 -0.00020090
0.00102864 0.00258259 -0.00321391
-6.52629179 6.79971439 -6.58794691
-0.00002493 0.00041690 -0.00006545
-0.00255036 -0.02282850 0.00242842
-7.61541114 9.33550544 -5.40834324
-0.00111278 -0.00052109 -0.00067231
0.00533080 -0.00727160 -0.01313919
-20.84558056 31.00389905 0.00225377
-0.00083524 -0.00033338 0.00049480
-0.00676285 0.00366906 -0.01290587
-17.93654281 30.57554949 0.81307487
0.00027726 -0.00077137 -0.00081649
-0.03588581 -0.00552222 0.00615003
9.14501186 3.11330301 6.92317699
-0.00032280 0.00011877 0.00050754
-0.03880432 -0.02428559 -0.03996403
9.78849859 5.50711656 8.42285498
-0.00051863 0.00055878 0.00028149
0.01060900 -0.03796307 -0.00162239
8.50052086 17.87731987 -12.34776224
-0.00021278 -0.00042997 0.00046538
0.00142463 -0.01015816 -0.00307742
8.63280324 15.17360097 -11.27515374
0.00013463 -0.00019310 -0.00034321
-0.00603772 0.01206700 -0.00624093
12.81973143 5.57021208 0.03717584
0.00066666 0.00007572 -0.00077135
-0.02046815 0.02713199 0.01661843
14.39282847 3.27017818 0.79248023
0.00015302 -0.00043768 -0.00014815
-0.01355552 0.01741849 -0.01650902
-4.62375229 11.72726422 -2.74192414
0.00062554 -0.00016070 -0.00082345
0.00652152 0.00262481 -0.00234947
-5.42762234 10.23965086 -0.53027111
0.00066904 -0.00043717 -0.00146414
0.00060822 -0.00562963 0.00326793
7.78598665 13.19432537 4.75501884
-0.00070236 0.00046782 -0.00006999
0.00683162 -0.00293360 -0.00194971
10.11946588 11.36897692 4.55060317
0.00055836 -0.00041771 0.00004693
0.01245584 -0.00150285 -0.00401895
18.79104232 -11.14781761 -9.02193061
0.00047148 0.00099377 0.00087626
0.01092932 -0.00392569 -0.01552422
20.67408685 -12.93948495 -10.58313989
0.00011947 -0.00047204 0.00049551
-0.02180409 0.04002704 0.00616347
18.91222271 -4.97033258 -1.79045648
0.00040037 0.00087125 -0.00028522
0.00657891 -0.00919783 0.00210050
18.19690061 -7.36992762 -0.28171355
0.00053874 0.00045956 0.00042986
-0.00067320 -0.00451777 0.00011610
15.07328349 9.15011600 9.33762911
-0.00053534 -0.00072504 0.00002423
-0.01162460 0.01453692 -0.00511030
16.57809901 7.73623952 11.28365874
0.00013335 0.00060439 -0.00010820
0.00448935 -0.00195365 0.01409704
2.67620723 -15.66568969 17.58380217
0.00042906 -0.00004510 0.00043206
0.00978153 -0.01642148 -0.01854345
3.29289963 -12.99049767 17.32188404
-0.00038859 -0.00077508 -0.00024545
0.01598853 -0.00433002 -0.01966639
-4.18495694 -4.29368911 -13.64896851
-0.00079953 0.00004786 -0.00028011
-0.00577314 -0.01155214 0.00395961
-1.99038370 -2.28125341 -13.37619921
-0.00087026 0.00005758 -0.00017114
0.00851858 -0.00104591 0.00348531
16.02062034 -7.34232354 -14.89875466
-0.00005557 0.00035096 0.00039501
0.00594078 -0.00257785 0.01013320
17.19147212 -7.57362192 -12.06941764
-0.00003632 0.00083726 0.00010106
0.00294963 -0.00390010 0.00363304
9.44707097 -4.37618820 5.10004620
-0.00108604 0.00058232 0.00110829
-0.00862444 -0.00213737 -0.00936161
12.34110953 -4.59505961 5.78133458
0.00038964 0.00083215 0.00048700
-0.03768224 0.00686332 0.00654420
-21.15610407 0.00952807 24.53951171
0.00045974 -0.00039977 0.00030463
0.03092595 0.00039799 0.01561105
-20.15102874 2.53095347 25.36417254
-0.00008146 0.00081558 -0.00076154
0.00200332 0.01627744 0.00864893
24.58154270 -2.50627412 -7.12601384
0.00010755 -0.00000364 0.00055490
0.00422305 0.01173293 0.00084701
24.09905772 -0.62887333 -9.23177602
-0.00019367 -0.00027718 0.00035853
-0.00151623 0.00920129 -0.02960642
12.49047052 -10.28506975 -9.70727730
-0.00061069 0.00028431 0.00001199
-0.00843678 0.01634918 -0.01476677
12.47095963 -8.44299987 -12.10825698
-0.00010055 -0.00034791 0.00027199
-0.00466916 -0.01325995 0.00916486
-9.36788732 -9.12605940 18.27347022
0.00024596 -0.00027790 0.00007004
0.01147175 -0.00194044 0.00421425
-11.61871267 -9.68373658 16.73207206
-0.00011187 0.00122568 0.00059087
0.04224095 -0.01177715 -0.00158510
8.36871691 0.32457983 -30.10091831
0.00010483 -0.00055168 0.00007213
0.01648172 0.00567918 -0.00062567
5.68461445 0.75512678 -29.15990833
-0.00018615 -0.00086210 -0.00049395
0.01498893 -0.01136657 0.01239444
12.47853112 19.55762130 12.49500256
0.00028448 -0.00067511 -0.00022762
0.00317470 0.01691861 -0.00287053
13.69808350 17.35965381 10.79401750
-0.00147813 0.00050817 -0.00025011
-0.01089358 0.01500502 0.01473581
27.70210996 7.71172518 -11.52385591
-0.00004297 -0.00000084 0.00006449
0.02326417 0.00169146 -0.01336985
25.88044681 7.25326436 -9.33679916
-0.00068728 -0.00065753 -0.00001194
-0.00171809 0.00529098 0.00645677
-7.09627011 4.57255490 6.68329242
0.00027621 -0.00009988 -0.00006909
-0.00292130 -0.00471413 -0.00578744
-8.92039685 8.72781113 3.87777026
0.00022338 -0.00010367 0.00001362
-0.00318690 -0.00875601 -0.00317160
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07946132
0.29702136
395.76607613
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4290479409 (a.u.)
total exchange computation time: 3.1524970531 s
-154.2432520639
-931.37208082
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4282581131 (a.u.)
total exchange computation time: 3.1495771408 s
-154.2501219891
Anderson extrapolation: theta=1.3526157483 (1.3526157483)
-931.37232321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4270735159 (a.u.)
total exchange computation time: 3.1513159275 s
-154.2601881255
Anderson extrapolation: theta=0.0525042485 (0.0525042485)
-931.37246904
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4269196611 (a.u.)
total exchange computation time: 3.1553080082 s
-154.2613829663
Anderson extrapolation: theta=1.9525612004 (1.9525612004)
-931.37247471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4265908178 (a.u.)
total exchange computation time: 3.1505310535 s
-154.2638772796
Anderson extrapolation: theta=0.2217288473 (0.2217288473)
-931.37248084
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4265086678 (a.u.)
total exchange computation time: 3.1504650116 s
-154.2644456148
Anderson extrapolation: theta=1.8591194925 (1.8591194925)
-931.37248208
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4263762627 (a.u.)
total exchange computation time: 3.1513218880 s
-154.2652972967
Anderson extrapolation: theta=0.2765255572 (0.2765255572)
-931.37248371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4263611732 (a.u.)
total exchange computation time: 3.1508569717 s
-154.2653304000
Anderson extrapolation: theta=1.3111549101 (1.3111549101)
-931.37248415
73.671700 67.764826 -294.651529
546.096054 1080.033474 -416.212368
619.767754 1147.798300 -710.863897
1485.557298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0649709302
ExchangeOperator: pair fraction: ispin=0: 0.1661654949
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4263584210 (a.u.)
total exchange computation time: 3.0883338451 s
679.65219955
-1085.49517762
89.75539853
-387.90771545
-174.95083116
79.22681049
551.60419304
0.00000000
-931.37248457
3.62253357 -31.29743428 -3.83097425
-0.00036532 0.00026481 -0.00007335
0.00494560 0.00281097 -0.02515858
-11.16284839 2.21740178 -9.34775428
-0.00009633 -0.00016048 -0.00009232
-0.03668579 -0.04017512 0.01198592
-37.04655250 1.93380112 3.97349449
0.00019584 0.00014840 0.00011861
0.04316982 0.01981601 -0.00763437
-7.72218418 -3.63043115 2.96832364
0.00002877 -0.00004600 -0.00026247
-0.00120612 0.00698760 0.00574472
2.30499606 -0.02782892 9.68807032
0.00023659 0.00013111 -0.00003421
0.03500101 -0.05291913 0.00654756
-31.28089752 1.40203151 3.49543486
-0.00006878 0.00011253 -0.00006529
0.03391476 -0.02941671 0.00876255
16.45206626 13.21804717 -17.69194452
0.00015930 -0.00035011 -0.00004258
0.01081205 0.01265735 0.00082478
-3.28864066 4.90353220 4.13672048
-0.00020443 -0.00011306 -0.00047535
0.01241865 0.00801758 0.04206821
4.84707237 17.38259533 -6.60324705
0.00010666 -0.00005550 -0.00037750
-0.02808170 -0.05117326 -0.02945222
8.29288934 7.36477260 -21.21969867
-0.00001342 0.00046281 -0.00027313
-0.00642778 -0.01263748 -0.01548905
19.84316684 18.82683918 -5.34383038
0.00048701 -0.00010093 0.00014940
-0.00563256 -0.02179228 -0.00666301
2.04114572 14.67618255 -21.41337491
0.00011912 -0.00003150 0.00006183
-0.01921722 0.00028240 -0.00883064
10.51203006 -5.54213565 0.05574445
0.00020432 0.00009258 -0.00007579
0.02246827 0.00893696 0.01483411
-16.50591373 -5.55672787 4.81565369
0.00018346 -0.00008849 -0.00019239
0.01726359 -0.00557181 0.01599743
-14.22006780 -1.52831380 20.74776810
0.00010511 0.00005000 -0.00005453
0.00648163 -0.01932962 0.02065204
0.78642706 3.65939300 -4.80736132
-0.00052872 -0.00012715 -0.00011428
-0.01742021 -0.01157448 0.02561095
20.89246838 -9.57462748 -4.21694547
-0.00031059 0.00005804 -0.00030554
0.00662047 -0.00155852 -0.00667524
2.78780449 -10.84753401 6.74329373
0.00005730 -0.00014094 0.00004958
-0.04313449 0.01118661 0.01560346
-1.82967234 -1.79870686 -19.41726267
-0.00022928 -0.00025265 0.00007455
0.00391740 0.02737410 0.01101765
-0.59434831 5.16701206 -11.26212176
0.00018782 0.00043814 -0.00013515
-0.00005275 0.02776620 -0.04970233
-4.87798605 15.48379809 13.60395843
0.00008565 0.00014124 0.00059998
-0.01340825 -0.00173188 0.01122777
-4.97139929 3.09749735 -7.97508102
-0.00006676 0.00013997 -0.00046827
0.00583530 0.01564820 0.00054295
-8.61998045 0.07233375 -4.39469440
0.00029271 -0.00014695 0.00019325
0.01446741 0.03133551 0.00678606
2.98186727 27.82243854 5.67810151
0.00015981 -0.00019397 -0.00027868
0.00201856 -0.00968380 0.00393218
8.68323749 -9.60076416 -2.09308396
-0.00018548 -0.00000054 -0.00000845
-0.03494715 -0.02952266 -0.01050402
-6.27779366 1.39214262 9.95151806
0.00027903 -0.00014113 0.00032944
-0.03829949 -0.01968081 -0.00752177
19.77119687 9.56082197 5.98334088
0.00005842 -0.00009487 -0.00024993
-0.04805060 -0.01415468 -0.00437680
-3.41385872 0.60676162 -24.30308755
-0.00011828 -0.00015962 -0.00006023
0.06902833 0.00364354 0.04683899
-13.63743942 8.45400754 9.45268248
-0.00003806 0.00011332 -0.00011878
-0.00113351 -0.00755985 0.01357932
-13.77543073 5.76199608 -3.91002103
0.00028380 -0.00007591 -0.00003429
0.00662812 -0.04908673 -0.03751325
-3.78954425 -15.07561218 21.23185434
0.00008323 0.00011858 0.00028714
-0.00736812 -0.01302168 -0.00181660
-6.33322158 8.57278911 -6.50795147
-0.00020855 0.00017613 0.00033677
0.00390478 0.02764020 0.00061374
-19.77517900 30.35120361 1.28000094
0.00008970 0.00032156 0.00018192
0.04479587 0.00149612 0.00398083
10.29088086 3.63996147 8.12094090
-0.00012520 0.00020556 -0.00012381
0.02695483 0.06697967 0.04409259
7.42876994 16.51580826 -11.73779484
-0.00019945 0.00008221 0.00005447
-0.00421693 -0.01210297 0.01875004
14.04519476 4.49604734 -0.61994867
-0.00000354 -0.00033866 0.00061886
0.03824663 -0.05277616 -0.00595019
-5.74038745 11.86716715 -1.29668499
-0.00053921 0.00008231 0.00017708
0.00250734 0.01064147 -0.01093858
8.35210399 11.43786945 4.92709480
0.00026123 -0.00075126 -0.00003869
-0.02377543 0.01689820 0.00821937
19.86538820 -11.16411826 -10.55613295
0.00009787 0.00003146 -0.00039217
0.01023511 -0.04380738 0.01370420
19.23491064 -5.83038762 -0.19291055
0.00011013 0.00013933 0.00019767
-0.00541473 0.01309856 -0.00766088
15.92273979 7.60020157 9.61483276
-0.00020086 -0.00014356 0.00004824
0.00287833 -0.01275003 -0.00514285
3.83463541 -14.61740559 16.57289245
-0.00020756 -0.00003901 0.00001983
-0.02027099 0.02201260 0.02265385
-3.68652772 -2.55229654 -13.94589379
-0.00028490 -0.00006636 -0.00035646
0.00349880 0.03215998 -0.00971506
16.26255282 -6.49722793 -13.20600796
0.00019052 0.00031151 0.00022922
-0.02394092 -0.01334076 -0.02808224
10.57192249 -4.44394693 6.51049124
-0.00003277 -0.00025378 0.00022595
0.04860147 -0.00187984 0.00403596
-19.53880557 0.84707133 25.13214406
-0.00019346 0.00009007 0.00026864
-0.03937485 -0.01190568 -0.01789996
24.04145944 -0.74404101 -7.44036449
-0.00012555 0.00005683 0.00011427
-0.00293012 -0.01780257 0.02336186
11.50574281 -9.74331878 -11.20878651
0.00015055 0.00008895 0.00014071
0.01034090 -0.00530742 0.01091772
-9.71647633 -9.94843200 16.69101016
-0.00004661 0.00002715 0.00031570
-0.04851645 0.01278065 -0.00615191
7.36342179 0.12844167 -28.59719793
-0.00004857 -0.00038443 -0.00010996
-0.03303250 0.00808852 -0.00403591
12.58353228 17.78740192 12.25579179
0.00005688 0.00009698 0.00003014
0.01026763 -0.02982371 -0.00778843
25.95772199 7.46263558 -11.15917064
0.00018046 0.00027656 -0.00007405
-0.02219454 -0.00068795 0.01140103
3.77469988 -29.75817373 -4.90657773
0.00082087 0.00071346 -0.00011927
0.00597654 -0.00880891 0.00655771
3.35347370 -30.65674688 -2.14260770
-0.00022017 0.00100059 0.00029807
-0.00201382 0.01010341 0.02098363
-9.72145918 3.06153084 -8.85882733
0.00030117 -0.00075066 -0.00029958
0.03939602 0.02315927 0.01417723
-11.57927691 2.64356335 -11.04312629
-0.00021500 0.00023505 0.00028826
-0.00345640 0.01247993 -0.02797421
-36.80514517 3.49460582 3.00421389
0.00049028 0.00040980 -0.00049522
-0.00955067 -0.00805383 0.00806692
-38.79609453 1.53364739 3.83599129
0.00125245 0.00035155 0.00090521
-0.02098546 -0.00770449 -0.00313431
-9.11410029 -4.11124706 1.84513305
-0.00046421 -0.00140675 0.00070673
0.00358150 -0.01128239 -0.00455113
-6.28267530 -4.70325158 2.63195995
-0.00002209 -0.00035903 -0.00012333
-0.00653313 -0.00303984 -0.00190392
3.50528282 -1.35510000 8.97859788
0.00005731 -0.00013991 -0.00054643
-0.02904422 0.03501453 0.01008970
1.75195992 0.98672268 8.33474043
-0.00085890 -0.00023138 -0.00040223
-0.00425345 0.01491661 -0.02120952
-30.82348564 -0.43672066 3.83139284
0.00010943 -0.00030479 0.00000590
-0.00508842 0.03068946 -0.01240947
-33.06612112 1.43602087 3.40866418
-0.00037795 -0.00092056 0.00109930
-0.02367767 -0.00267335 0.00161410
15.50902769 11.94481294 -18.63399373
0.00020589 0.00158883 0.00052844
-0.00669139 0.00242797 0.00585284
17.98692103 12.29027490 -17.26274139
-0.00004052 0.00021503 -0.00003962
-0.00357654 -0.00160007 -0.00135143
-2.73952387 6.48327800 5.05628505
0.00069110 -0.00081269 -0.00085576
-0.00369517 -0.02348485 -0.00831383
-3.75982112 5.67250855 2.61793387
0.00041061 0.00030027 -0.00045882
-0.00680456 0.00942212 -0.03656778
5.87677019 16.93485215 -8.08524504
-0.00035122 0.00118827 0.00056529
-0.00208946 0.00917883 0.00247518
5.61953194 18.66073764 -5.70998100
-0.00060252 -0.00048165 0.00082450
0.03252813 0.03635314 0.02151540
9.02731835 6.40551461 -22.61017012
0.00043009 0.00007229 0.00063713
-0.01547875 0.00491342 -0.00834232
9.65961746 7.44247657 -20.05005630
0.00037725 0.00038026 0.00019525
0.01269456 0.01277116 0.02040339
19.66621161 20.22724987 -4.25433082
0.00036316 0.00051787 -0.00125082
-0.01553154 0.02349789 0.03077138
20.94786096 19.65521319 -6.48338332
0.00097440 0.00044387 0.00017101
0.01810251 0.00220806 -0.02313960
1.83028924 12.98668372 -20.73140906
-0.00107616 -0.00010113 0.00062376
-0.00069393 0.00655332 0.00342349
0.29953083 15.23910590 -21.94150930
-0.00076050 -0.00082870 0.00005856
0.01697160 -0.00672153 0.00919878
9.78459067 -7.11347516 -0.46420156
-0.00044188 -0.00065994 -0.00028027
-0.00527721 -0.01245933 -0.00567672
9.26944263 -4.29427415 -0.35275014
-0.00034291 0.00036122 -0.00005299
-0.00782835 0.01356292 -0.00404482
-17.06273202 -6.53055682 6.24825644
-0.00035034 0.00008933 -0.00066510
0.00194158 0.00187034 0.00770672
-18.01122943 -5.32977275 3.89812813
0.00018539 -0.00002189 0.00057034
-0.02068312 0.00191477 -0.02257480
-14.26203706 -0.95456014 19.08066718
0.00001230 -0.00004547 0.00089313
0.00051239 0.01222090 -0.03999814
-15.05940240 -0.25661612 21.66692530
-0.00025911 0.00024663 -0.00079031
-0.01190332 0.01383209 0.01921117
-0.18478971 2.93244958 -3.35742366
0.00013975 0.00034155 0.00027067
0.01295334 0.00879215 -0.02828185
0.99952722 2.26862293 -6.00546926
0.00075799 0.00048685 0.00000574
-0.00075318 0.00158435 0.01031074
19.99856278 -9.07824487 -5.78707589
0.00005546 0.00015424 -0.00062032
0.02899281 -0.00197794 0.01771960
22.84920935 -9.38673016 -4.15053811
-0.00046564 0.00062560 -0.00012953
-0.04495452 -0.00057760 -0.01912662
4.48808803 -11.21757405 6.61122166
-0.00126579 0.00048461 0.00006088
0.04915542 -0.01116036 -0.01720923
2.49704401 -11.46064152 8.43888019
-0.00012862 0.00096184 -0.00066846
-0.00520611 0.00198738 0.00436122
-2.63515102 -3.07744711 -20.41445102
0.00064678 0.00051317 0.00104423
-0.00670727 -0.01598563 0.00124598
-2.76587111 -1.42028155 -17.86624932
-0.00086728 -0.00039487 0.00021868
0.00310710 -0.01039855 -0.01298542
1.16138470 5.74251606 -11.47929505
-0.00102380 -0.00025484 -0.00004607
-0.00944971 -0.01129631 0.01855161
-0.99783636 4.34098212 -9.76634814
-0.00054783 0.00009268 0.00050873
-0.00039641 -0.01516194 0.03537239
-4.14195715 16.70506204 14.72546012
-0.00054170 -0.00002115 -0.00117564
0.01502536 0.00698173 0.00928201
-6.63223319 16.06290197 13.69415862
0.00019491 0.00027901 -0.00067397
0.00191085 -0.00758508 -0.00277526
-5.38731024 2.11015519 -6.54008178
0.00055990 0.00011416 -0.00048123
-0.00420107 -0.01010098 0.01229004
-5.48210063 2.12291757 -9.46847548
0.00084510 -0.00020368 0.00021213
-0.00002230 0.00447070 -0.00120373
-9.29392425 -1.57943619 -4.40805489
0.00011315 -0.00080135 -0.00025987
-0.01251150 -0.01375301 0.00846276
-9.42625785 1.15062837 -3.11430621
-0.00081844 -0.00023678 0.00120025
0.00250396 -0.01510651 -0.01054079
2.43217730 29.05391598 4.42718605
0.00009350 -0.00076495 0.00114672
-0.00241085 0.00075652 0.00813063
2.37325747 28.22011870 7.35931593
-0.00112921 -0.00043531 -0.00015668
0.00200324 0.00471350 -0.01530170
7.08018071 -10.01364658 -3.10900503
-0.00043715 0.00112581 0.00061649
0.03125250 0.01126812 0.03139966
8.94402247 -10.99176708 -0.86353283
0.00051703 -0.00013858 -0.00026379
-0.00774307 0.00786291 -0.01631089
-5.51300183 -0.24901406 9.62085722
0.00005264 0.00104275 -0.00023391
0.02476080 -0.00666069 -0.01159432
-8.03756419 0.76401262 9.95364767
-0.00008509 0.00043104 -0.00018432
0.00972284 0.01927280 0.00302609
19.25589606 9.63307950 7.71517652
-0.00049032 0.00044965 -0.00108001
-0.01140983 -0.00369655 0.01411731
21.37707498 10.18131940 6.04607402
0.00071646 -0.00038742 -0.00003454
0.06831963 0.02198077 -0.00523687
-2.96013284 0.58662892 -22.41534760
-0.00035573 0.00041687 0.00105231
-0.01494547 -0.00429074 -0.04170807
-5.14458041 0.50334648 -24.46598873
0.00087337 -0.00057236 -0.00063122
-0.05378057 -0.00225917 -0.00266370
-12.80958231 9.54414007 10.66227880
-0.00022146 0.00003106 -0.00001038
0.00573272 -0.00107806 0.00186865
-13.54643153 9.53199040 7.99985271
-0.00074161 -0.00012175 -0.00029198
-0.00441935 0.00885774 -0.02365081
-13.75564592 4.12001518 -4.94637310
0.00023525 -0.00028798 -0.00013598
0.00573540 0.03437675 0.02997942
-14.97196861 6.68291813 -4.94753431
-0.00020873 -0.00064304 0.00053356
-0.00742800 0.00728504 0.00916138
-5.36622988 -16.10781730 21.15004519
-0.00046947 0.00010564 -0.00083348
0.00738138 0.00774943 0.00115350
-2.99863171 -15.38493811 19.61813251
0.00018223 0.00031047 -0.00020776
-0.00017609 0.00331463 -0.00014544
-6.52674382 6.80526832 -6.58885425
-0.00003554 0.00031990 -0.00005641
-0.00264577 -0.02465113 0.00199557
-7.63193942 9.32746625 -5.41883047
-0.00109306 -0.00054816 -0.00072328
0.00432039 -0.00597720 -0.01181167
-20.85831635 30.99901072 0.00928028
-0.00086054 -0.00031921 0.00044292
-0.00562350 0.00326887 -0.01248834
-17.93348356 30.56380967 0.80101591
0.00012752 -0.00079285 -0.00079071
-0.03741380 -0.00499252 0.00647067
9.13898070 3.11434031 6.92956549
-0.00048372 0.00001882 0.00034216
-0.03996442 -0.02463600 -0.04098918
9.78104419 5.51433502 8.42702765
-0.00047407 0.00040050 0.00027380
0.01120341 -0.03951671 -0.00214508
8.49737278 17.87055911 -12.34087587
-0.00020277 -0.00046456 0.00044979
0.00347754 -0.00677605 -0.00455309
8.63463770 15.17107420 -11.28049311
0.00010656 -0.00014160 -0.00036910
-0.00770343 0.01314231 -0.00643244
12.82910416 5.57217928 0.02611476
0.00057412 0.00019384 -0.00069735
-0.02482993 0.03068849 0.01960691
14.39470843 3.26414679 0.78975213
0.00009697 -0.00036820 -0.00021048
-0.01388236 0.01659124 -0.01400109
-4.61416937 11.72493408 -2.75434794
0.00063820 -0.00014551 -0.00081640
-0.00032298 0.00481224 0.00580223
-5.41756813 10.23292082 -0.55213308
0.00067018 -0.00046111 -0.00144791
-0.00005132 -0.00608895 0.00467536
7.77566062 13.20125281 4.75390929
-0.00066706 0.00043636 -0.00007641
0.01044936 -0.01246805 -0.00119578
10.12822295 11.36266528 4.55118390
0.00060518 -0.00042282 0.00003130
0.01046323 -0.00099916 -0.00362846
18.79844948 -11.13303135 -9.00926238
0.00052176 0.00097719 0.00080352
0.01368062 -0.00418962 -0.02008407
20.67521075 -12.94533907 -10.57551838
0.00002915 -0.00030514 0.00051952
-0.02240721 0.04167238 0.00558875
18.91842979 -4.95754566 -1.79467042
0.00042832 0.00082796 -0.00026783
0.00710615 -0.01199295 0.00640978
18.20496105 -7.36317266 -0.27526210
0.00053188 0.00043633 0.00042850
-0.00268391 -0.00685327 -0.00078138
15.06489714 9.13968579 9.33783603
-0.00058577 -0.00066094 0.00000199
-0.01305916 0.01684119 -0.00577954
16.58023682 7.74524552 11.28246767
0.00015161 0.00059621 -0.00005171
0.00445186 -0.00204861 0.01355907
2.68294290 -15.66686932 17.58971489
0.00046749 -0.00011391 0.00035718
0.00903032 -0.01726548 -0.01811167
3.28756069 -13.00225655 17.31759967
-0.00032560 -0.00078354 -0.00032235
0.01484723 0.00018877 -0.01797666
-4.19712686 -4.29332521 -13.65304877
-0.00082227 0.00000126 -0.00026367
-0.00535421 -0.01125629 0.00408385
-2.00317660 -2.28042183 -13.37865952
-0.00082832 0.00005372 -0.00015450
0.01201375 -0.00084091 0.00466064
16.01996883 -7.33713807 -14.89251895
-0.00003097 0.00033968 0.00043568
0.00610130 -0.00294717 0.00977443
17.19101772 -7.56118258 -12.06779045
-0.00002020 0.00081620 0.00012062
0.00494014 -0.00640887 0.00594289
9.43051612 -4.36751887 5.11638370
-0.00111896 0.00057341 0.00106929
-0.00749260 -0.00222624 -0.00972914
12.34579938 -4.58236697 5.78884018
0.00023248 0.00085949 0.00051204
-0.03924833 0.00651887 0.00571171
-21.14826029 0.00354368 24.54455949
0.00058226 -0.00039793 0.00036741
0.02905001 0.00050265 0.01512135
-20.15218920 2.54368598 25.35301440
-0.00007091 0.00087286 -0.00072763
0.00316045 0.01176024 0.00795209
24.58328537 -2.50596913 -7.11766439
0.00012399 0.00004663 0.00055719
0.00382379 0.01287247 0.00027358
24.09610619 -0.63274908 -9.22730537
-0.00019964 -0.00023975 0.00023374
-0.00140468 0.00912231 -0.03147488
12.48105157 -10.28030405 -9.70754999
-0.00064074 0.00034896 -0.00004231
-0.00627026 0.01529426 -0.01181222
12.46930831 -8.44862486 -12.10389633
-0.00011566 -0.00039702 0.00030595
-0.00272554 -0.01077816 0.00746005
-9.36384634 -9.13028733 18.27464991
0.00029475 -0.00028402 0.00009152
0.01240931 -0.00105673 0.00630304
-11.61909640 -9.66571220 16.74088655
0.00006183 0.00117607 0.00058378
0.04278712 -0.01250781 -0.00188723
8.37079442 0.31647871 -30.09985557
0.00017246 -0.00052823 0.00006868
0.01662260 0.00579565 -0.00105927
5.68228153 0.74184695 -29.16693774
-0.00012403 -0.00090830 -0.00044323
0.01541811 -0.01124852 0.01243418
12.48289560 19.54801310 12.49150028
0.00029588 -0.00059181 -0.00023688
0.00240554 0.02385820 -0.00166018
13.67557778 17.36773616 10.79071740
-0.00151685 0.00056644 -0.00019675
-0.00806352 0.01351963 0.01138524
27.70217830 7.71176439 -11.52329817
0.00005548 0.00000654 0.00001066
0.02492982 0.00192024 -0.01298483
25.87008502 7.24356356 -9.33678038
-0.00069246 -0.00063499 0.00001044
-0.00082128 0.00573996 0.00449837
-7.09213488 4.57104407 6.68224053
0.00027513 -0.00010154 -0.00007118
-0.00307981 -0.00454239 -0.00586275
-8.91705167 8.72624088 3.87796909
0.00022262 -0.00010571 0.00001290
-0.00341266 -0.00884389 -0.00308905
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07941415
0.29307042
390.50164077
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4370145765 (a.u.)
total exchange computation time: 3.0595889091 s
-154.2672609251
-931.36807712
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4360987299 (a.u.)
total exchange computation time: 3.0596139431 s
-154.2753001788
Anderson extrapolation: theta=1.3596804758 (1.3596804758)
-931.36833373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4347623463 (a.u.)
total exchange computation time: 3.0601727962 s
-154.2868644562
Anderson extrapolation: theta=0.0561203587 (0.0561203587)
-931.36849064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4346188650 (a.u.)
total exchange computation time: 3.0602779388 s
-154.2880533037
Anderson extrapolation: theta=2.0720275011 (2.0000000000)
-931.36849763
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4343204571 (a.u.)
total exchange computation time: 3.0601689816 s
-154.2904942611
Anderson extrapolation: theta=0.2758332830 (0.2758332830)
-931.36850600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4342453869 (a.u.)
total exchange computation time: 3.0598411560 s
-154.2910794610
Anderson extrapolation: theta=1.6155897654 (1.6155897654)
-931.36850795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4341544190 (a.u.)
total exchange computation time: 3.0647130013 s
-154.2917497878
Anderson extrapolation: theta=0.3336110745 (0.3336110745)
-931.36851021
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4341537114 (a.u.)
total exchange computation time: 3.0598881245 s
-154.2917113282
Anderson extrapolation: theta=1.1104541686 (1.1104541686)
-931.36851086
73.688552 67.769511 -294.627049
546.034498 1080.075246 -416.212054
619.723050 1147.844757 -710.839103
1485.562680
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.4341744205 (a.u.)
total exchange computation time: 3.0639071465 s
679.77737845
-1085.77187728
89.75002223
-387.71806220
-174.97179814
79.37968812
551.60419304
0.00000000
-931.36851136
3.61707283 -31.29345125 -3.83217149
-0.00036274 0.00026739 -0.00008558
0.00510034 0.00719493 -0.02241156
-11.16443482 2.21483954 -9.34909286
-0.00011490 -0.00018108 -0.00008574
-0.03554387 -0.03989562 0.01361640
-37.04344843 1.93610352 3.97524413
0.00022040 0.00015985 0.00011433
0.05236057 0.02470226 -0.00898002
-7.72175731 -3.63109424 2.96440871
0.00002815 -0.00004269 -0.00025964
-0.00120343 0.00589934 0.00527981
2.30867997 -0.02606640 9.68758235
0.00025437 0.00010441 -0.00003180
0.03411851 -0.05092254 0.00284872
-31.28179834 1.40360596 3.49448931
-0.00005196 0.00009672 -0.00006065
0.03145912 -0.03206422 0.00926610
16.45449740 13.21284441 -17.69258009
0.00016569 -0.00034091 -0.00004066
0.01407184 0.02308998 0.00665737
-3.29165921 4.90186727 4.12975255
-0.00019819 -0.00010944 -0.00045430
0.01184687 0.00604493 0.03979109
4.84856393 17.38156546 -6.60902319
0.00009108 -0.00008092 -0.00039062
-0.03251139 -0.04768972 -0.02157469
8.29266318 7.37166597 -21.22385543
-0.00001584 0.00045654 -0.00027980
-0.00295365 -0.01174420 -0.01045188
19.85045026 18.82524119 -5.34161502
0.00048500 -0.00011183 0.00014482
-0.00220059 -0.02058021 -0.01116947
2.04285836 14.67571119 -21.41248159
0.00010811 -0.00003205 0.00005744
-0.02357013 -0.00243954 -0.00822147
10.51518150 -5.54071246 0.05466486
0.00021430 0.00009630 -0.00006897
0.01634648 0.00551346 0.01166568
-16.50309524 -5.55807672 4.81282954
0.00019293 -0.00009125 -0.00018417
0.01954763 -0.00517382 0.01596524
-14.21846615 -1.52763838 20.74702975
0.00010835 0.00003962 -0.00004204
0.00612266 -0.02101882 0.02793046
0.77842906 3.65744103 -4.80897675
-0.00053738 -0.00013209 -0.00010099
-0.01624540 -0.00760822 0.02605858
20.88783510 -9.57376285 -4.22155430
-0.00030741 0.00005727 -0.00030918
0.00571972 -0.00142868 -0.00750190
2.78849760 -10.84960495 6.74409764
0.00003200 -0.00013381 0.00005609
-0.05525418 0.01654191 0.00972264
-1.83309644 -1.80239101 -19.41610197
-0.00022642 -0.00023630 0.00008251
0.00722366 0.03618658 0.01993443
-0.59153118 5.17369129 -11.26434070
0.00018491 0.00045052 -0.00015840
-0.01127151 0.02036900 -0.04072797
-4.87675295 15.48590996 13.61300142
0.00007770 0.00013833 0.00060382
-0.01751574 -0.00958659 0.00369448
-4.97237815 3.09965720 -7.98210292
-0.00006340 0.00014862 -0.00046729
0.00722649 0.01800571 0.00325717
-8.61553397 0.07025037 -4.39176948
0.00029865 -0.00013128 0.00019800
0.00861570 0.02958665 0.01169816
2.98427219 27.81949165 5.67393648
0.00016112 -0.00020024 -0.00027406
0.00309942 -0.01470719 0.01404020
8.68032052 -9.60088619 -2.09325123
-0.00020297 -0.00001534 -0.00001348
-0.03307305 -0.02800127 -0.00906868
-6.27375589 1.38994971 9.95643070
0.00025837 -0.00014961 0.00032573
-0.04206773 -0.01328021 -0.00690287
19.77188776 9.55934427 5.97957506
0.00003582 -0.00010151 -0.00025342
-0.03982539 -0.01166768 -0.00918694
-3.41536659 0.60438132 -24.30381028
-0.00008040 -0.00015745 -0.00003476
0.07825916 0.00479387 0.05219806
-13.63801470 8.45567815 9.45095314
-0.00003872 0.00010925 -0.00011182
-0.00142175 -0.00824816 0.01348024
-13.77114810 5.76066803 -3.91068009
0.00028750 -0.00010162 -0.00005339
0.00773693 -0.05088882 -0.03677090
-3.78832425 -15.07388374 21.23615440
0.00007916 0.00011134 0.00028522
-0.00847040 -0.01511313 -0.00565233
-6.33633483 8.57553762 -6.50289761
-0.00020623 0.00019019 0.00033682
0.00512620 0.02705387 -0.00040112
-19.77366065 30.35603271 1.28274504
0.00011249 0.00032234 0.00018368
0.04380095 0.00155195 0.00286965
10.28910680 3.64330316 8.11925378
-0.00011159 0.00024010 -0.00010125
0.02599223 0.06737161 0.04365479
7.42576199 16.51699476 -11.73690554
-0.00020180 0.00007495 0.00006448
-0.00494029 -0.01612962 0.02021060
14.04528925 4.49076391 -0.61068865
0.00001693 -0.00036596 0.00061440
0.04135370 -0.05339710 -0.01142463
-5.74846586 11.86844288 -1.29407099
-0.00053612 0.00008726 0.00016933
0.00947596 0.00861379 -0.01917896
8.35593071 11.42666574 4.92654617
0.00024875 -0.00074053 -0.00003474
-0.02473088 0.02484068 0.00714876
19.86689574 -11.16381540 -10.56196257
0.00010257 0.00000880 -0.00038396
0.00802349 -0.04430688 0.01821934
19.23654175 -5.82824707 -0.18997512
0.00010776 0.00014719 0.00019292
-0.00380626 0.01746116 -0.01077825
15.91973796 7.59799899 9.61553655
-0.00019903 -0.00015048 0.00004598
0.00424845 -0.01415017 -0.00363382
3.83144387 -14.61790581 16.57327736
-0.00021742 -0.00002879 0.00003089
-0.01809428 0.01770975 0.02031929
-3.69078773 -2.55316785 -13.95127821
-0.00028393 -0.00004995 -0.00036183
0.00027638 0.03163540 -0.01115219
16.26531822 -6.49260669 -13.20267794
0.00017768 0.00030521 0.00021435
-0.02597204 -0.01116234 -0.02973748
10.57161837 -4.44776084 6.51389609
-0.00000797 -0.00025465 0.00022824
0.04786380 -0.00149588 0.00487121
-19.54185929 0.84837647 25.13610454
-0.00021327 0.00008522 0.00025978
-0.03767556 -0.00696128 -0.01654544
24.03956489 -0.74325726 -7.43856030
-0.00012697 0.00004748 0.00012653
-0.00257645 -0.01854196 0.02432226
11.50804089 -9.74200500 -11.20663374
0.00015468 0.00008582 0.00014593
0.00575212 -0.00684857 0.00938650
-9.71736266 -9.94797542 16.69572199
-0.00007171 0.00003368 0.00031218
-0.04907521 0.01259516 -0.00754773
7.36256581 0.12270643 -28.59886294
-0.00006551 -0.00038035 -0.00011197
-0.03285269 0.00775910 -0.00376247
12.58442515 17.78874156 12.25621391
0.00006152 0.00008048 0.00002689
0.00776814 -0.03432745 -0.00485097
25.96034334 7.46678126 -11.16023742
0.00016860 0.00027606 -0.00006780
-0.02393599 -0.00122910 0.01291319
3.78719608 -29.74774174 -4.90816583
0.00084382 0.00067232 -0.00009021
0.00525694 -0.01133224 0.00766702
3.35010937 -30.64142844 -2.13749371
-0.00022767 0.00103759 0.00037602
-0.00165681 0.00800788 0.01717679
-9.71573435 3.05098056 -8.86288660
0.00046076 -0.00065739 -0.00024212
0.03872062 0.02250077 0.01395169
-11.58260787 2.64747153 -11.03965961
-0.00022993 0.00028668 0.00017116
-0.00385214 0.01279480 -0.02934662
-36.79808356 3.50050608 2.99703273
0.00044972 0.00037030 -0.00045799
-0.01030778 -0.01128204 0.01015955
-38.77795081 1.53868451 3.84947347
0.00114894 0.00031688 0.00089095
-0.02968392 -0.00926612 -0.00384951
-9.12095362 -4.13269399 1.85559448
-0.00044890 -0.00145155 0.00068854
0.00391241 -0.01064822 -0.00435348
-6.28320691 -4.70873013 2.63005161
-0.00004977 -0.00037015 -0.00013054
-0.00701380 -0.00240736 -0.00162168
3.50525247 -1.35612569 8.97071066
-0.00006222 0.00000432 -0.00050410
-0.02946719 0.03558666 0.01063073
1.73894605 0.98370914 8.32805709
-0.00087373 -0.00017584 -0.00048237
-0.00300730 0.01227038 -0.01801892
-30.82200005 -0.44035217 3.83110106
0.00008886 -0.00017575 -0.00004575
-0.00498291 0.03247811 -0.01287086
-33.07251585 1.42213051 3.42520308
-0.00046968 -0.00093027 0.00110598
-0.02122670 -0.00207961 0.00165851
15.51191094 11.96871979 -18.62588771
0.00016765 0.00158177 0.00053964
-0.01202714 -0.00588148 -0.00037272
17.98620361 12.29345127 -17.26337713
-0.00005059 0.00020440 -0.00004464
-0.00135160 -0.00360002 -0.00110681
-2.72927060 6.47036808 5.04319392
0.00067682 -0.00090375 -0.00088580
-0.00329410 -0.02109386 -0.00639088
-3.75387056 5.67730132 2.60993109
0.00038287 0.00033784 -0.00060730
-0.00677099 0.00897087 -0.03611597
5.87143791 16.95295749 -8.07668983
-0.00034925 0.00122087 0.00056094
0.00305013 0.00678060 -0.00460300
5.61149091 18.65462682 -5.69695413
-0.00047094 -0.00033552 0.00091163
0.03187882 0.03518099 0.02113415
9.03329546 6.40674949 -22.60086874
0.00036808 0.00009008 0.00059903
-0.01487959 0.00379733 -0.01030746
9.66566518 7.44857186 -20.04650240
0.00042115 0.00043252 0.00027266
0.00879723 0.01281036 0.01749310
19.67118310 20.23573801 -4.27215013
0.00029792 0.00061723 -0.00112066
-0.01640690 0.02513781 0.03293999
20.96303166 19.66193882 -6.48152722
0.00104297 0.00044694 0.00008158
0.01546112 -0.00070468 -0.02063989
1.81412551 12.98536759 -20.72194778
-0.00107550 -0.00006987 0.00063557
0.00102010 0.00874647 0.00235723
0.28864346 15.22646936 -21.94034896
-0.00068573 -0.00085443 0.00009662
0.01962493 -0.00587333 0.00942968
9.77780081 -7.12375599 -0.46857949
-0.00045757 -0.00069757 -0.00029927
-0.00240310 -0.00596277 -0.00362615
9.26405909 -4.28844024 -0.35366900
-0.00036803 0.00040988 -0.00006719
-0.00446584 0.01025774 -0.00290345
-17.06792766 -6.52915951 6.23851613
-0.00034225 0.00009402 -0.00062849
0.00202011 0.00042516 0.01021375
-18.00908235 -5.33004248 3.90599146
0.00009613 -0.00001205 0.00047322
-0.02301084 0.00290372 -0.02496724
-14.26183683 -0.95486776 19.09283851
0.00001513 0.00000832 0.00071297
0.00087216 0.01410992 -0.04819104
-15.06365380 -0.25249276 21.65565934
-0.00030800 0.00030275 -0.00071002
-0.01202752 0.01363840 0.02009211
-0.18229646 2.93784229 -3.35423026
0.00019067 0.00037436 0.00015645
0.01197213 0.00726832 -0.02763059
1.01087402 2.27597427 -6.00506725
0.00075429 0.00048833 0.00004581
-0.00105961 -0.00086307 0.00930311
20.00028317 -9.07599194 -5.79583768
0.00017350 0.00014629 -0.00054657
0.02878430 -0.00191379 0.01838323
22.84084722 -9.37736381 -4.15306716
-0.00064677 0.00062280 -0.00020715
-0.04371056 -0.00079630 -0.01886743
4.47060743 -11.21064686 6.61160749
-0.00103763 0.00043316 -0.00001208
0.06253159 -0.01402787 -0.01850222
2.49495520 -11.44615308 8.42898688
-0.00015265 0.00096480 -0.00063585
-0.00655927 -0.00053807 0.01160114
-2.62565481 -3.07023933 -20.39874934
0.00060900 0.00043120 0.00103561
-0.01178960 -0.02413950 -0.00546850
-2.77878505 -1.42652330 -17.86336707
-0.00085094 -0.00043805 0.00016145
0.00489220 -0.01073865 -0.01502696
1.14573810 5.73834735 -11.47941769
-0.00104412 -0.00029522 0.00002803
-0.00049427 -0.00847339 0.01772237
-1.00606603 4.34190778 -9.75763331
-0.00054514 0.00003981 0.00063671
0.00171347 -0.01072289 0.02727369
-4.14962216 16.70495872 14.70810994
-0.00047037 0.00002302 -0.00112327
0.01988815 0.01464222 0.01635402
-6.62925104 16.06685467 13.68396396
0.00020098 0.00024823 -0.00068475
0.00106282 -0.00747944 -0.00249791
-5.37904045 2.11155807 -6.54692365
0.00054264 0.00007226 -0.00042895
-0.00424740 -0.01041026 0.01330256
-5.46942480 2.11999936 -9.46533046
0.00084251 -0.00018913 0.00020075
-0.00124718 0.00264970 -0.00436347
-9.29261044 -1.59187794 -4.41169361
0.00006694 -0.00084599 -0.00022527
-0.01010490 -0.00809662 0.00847627
-9.43845774 1.14661374 -3.09662542
-0.00080098 -0.00030654 0.00114688
0.00604540 -0.01904140 -0.01558445
2.43350599 29.04246489 4.44463597
0.00007833 -0.00074866 0.00116506
-0.00501555 0.00721795 0.00084963
2.35638070 28.21373350 7.35649684
-0.00111758 -0.00041867 -0.00022466
0.00369190 0.00343039 -0.01797306
7.07458118 -9.99641415 -3.09879544
-0.00031322 0.00116904 0.00074270
0.02941233 0.00989144 0.03037882
8.95154065 -10.99360487 -0.86798950
0.00048406 -0.00010659 -0.00033082
-0.00839477 0.00779538 -0.01649949
-5.51145345 -0.23357692 9.61699325
0.00015842 0.00100257 -0.00028365
0.02701858 -0.01300651 -0.01275199
-8.03854260 0.77106880 9.95097566
-0.00004312 0.00050936 -0.00017164
0.01082026 0.01906757 0.00317996
19.24819163 9.63971099 7.69940899
-0.00053909 0.00043488 -0.00101302
-0.01246589 -0.00353579 0.01867632
21.38991545 10.17618165 6.04539537
0.00098130 -0.00030323 -0.00005552
0.06131854 0.01923184 -0.00503302
-2.96592672 0.59275047 -22.40084098
-0.00041868 0.00039848 0.00087263
-0.01586841 -0.00471246 -0.04624975
-5.13312793 0.49469191 -24.47553865
0.00063663 -0.00058292 -0.00064358
-0.06210148 -0.00291128 -0.00338736
-12.81272854 9.54457289 10.66218037
-0.00019777 0.00002737 -0.00000328
0.00586433 -0.00072701 0.00160612
-13.55769115 9.53043557 7.99474824
-0.00075909 -0.00008505 -0.00038817
-0.00413664 0.00910957 -0.02343435
-13.75194135 4.11674884 -4.94749406
0.00025891 -0.00014637 -0.00001300
0.00584526 0.03494416 0.03021609
-14.97532712 6.67349571 -4.93925015
-0.00024158 -0.00061067 0.00056844
-0.00865638 0.00855992 0.00791188
-5.37304579 -16.10599517 21.13757830
-0.00043492 0.00013990 -0.00082677
0.00953411 0.00901743 0.00213277
-2.99590364 -15.38017946 19.61501162
0.00017914 0.00032541 -0.00020224
-0.00133594 0.00399966 0.00284802
-6.52735800 6.80931147 -6.58963929
-0.00004626 0.00021756 -0.00004909
-0.00260068 -0.02544643 0.00158964
-7.64820293 9.31906074 -5.43004159
-0.00107792 -0.00056974 -0.00076854
0.00309146 -0.00458722 -0.01034297
-20.87139679 30.99432272 0.01554143
-0.00088034 -0.00030720 0.00039378
-0.00406629 0.00261013 -0.01156634
-17.93271727 30.55176388 0.78935351
-0.00002664 -0.00081196 -0.00076403
-0.03804839 -0.00435824 0.00658795
9.13050027 3.11386776 6.93344191
-0.00064541 -0.00008071 0.00017674
-0.03918632 -0.02408768 -0.03998799
9.77427641 5.51913165 8.43106886
-0.00042755 0.00023754 0.00026415
0.01157156 -0.04025383 -0.00257787
8.49443783 17.86338306 -12.33426854
-0.00018430 -0.00048515 0.00042813
0.00556303 -0.00330482 -0.00604757
8.63600004 15.16935286 -11.28622670
0.00007224 -0.00008648 -0.00039546
-0.00909670 0.01383930 -0.00647346
12.83695516 5.57602726 0.01625531
0.00046678 0.00032403 -0.00061292
-0.02771517 0.03303998 0.02172202
14.39573759 3.25913222 0.78616596
0.00003999 -0.00030313 -0.00026149
-0.01401058 0.01525818 -0.01097071
-4.60460624 11.72289886 -2.76641615
0.00062417 -0.00012162 -0.00077782
-0.00654429 0.00688200 0.01308170
-5.40751706 10.22581761 -0.57370851
0.00066848 -0.00048596 -0.00142645
-0.00077808 -0.00607668 0.00583031
7.76597498 13.20741613 4.75272646
-0.00061769 0.00036836 -0.00007998
0.01371343 -0.02081974 -0.00054920
10.13762127 11.35629240 4.55154226
0.00064305 -0.00042598 0.00001745
0.00807494 -0.00054751 -0.00315040
18.80669507 -11.11850185 -8.99782503
0.00058225 0.00095957 0.00071330
0.01593144 -0.00443725 -0.02407778
20.67496140 -12.94863925 -10.56755436
-0.00006268 -0.00013329 0.00054101
-0.02254591 0.04244915 0.00493288
18.92507239 -4.94549373 -1.79849152
0.00045820 0.00077379 -0.00023387
0.00751665 -0.01452290 0.01021601
18.21285701 -7.35683771 -0.26885854
0.00051694 0.00040377 0.00042355
-0.00462935 -0.00908707 -0.00164133
15.05571045 9.13028771 9.33768875
-0.00064124 -0.00058894 -0.00002263
-0.01409597 0.01840378 -0.00627099
16.58264746 7.75412597 11.28210758
0.00016924 0.00058764 0.00000153
0.00417660 -0.00214715 0.01250017
2.69023200 -15.66910709 17.59451761
0.00050260 -0.00018608 0.00028437
0.00815687 -0.01805927 -0.01752848
3.28313168 -13.01400387 17.31221358
-0.00026781 -0.00077261 -0.00039171
0.01343834 0.00516113 -0.01597770
-4.20962492 -4.29365117 -13.65687874
-0.00084310 -0.00004327 -0.00024688
-0.00484285 -0.01054385 0.00413893
-2.01523322 -2.27964178 -13.38083420
-0.00077276 0.00005063 -0.00013323
0.01518218 -0.00067095 0.00574965
16.01969124 -7.33213322 -14.88568421
-0.00000584 0.00032668 0.00047432
0.00619931 -0.00341486 0.00914119
17.19086608 -7.54913602 -12.06579905
0.00000372 0.00078533 0.00014927
0.00677086 -0.00869845 0.00808256
9.41350207 -4.35898598 5.13212495
-0.00114646 0.00056410 0.00102997
-0.00596521 -0.00232843 -0.00951878
12.34808386 -4.56927482 5.79669582
0.00007078 0.00088529 0.00053314
-0.03990292 0.00610748 0.00461780
-21.13863614 -0.00240991 24.55053401
0.00069562 -0.00039637 0.00042760
0.02643712 0.00026467 0.01434153
-20.15315596 2.55713923 25.34234361
-0.00005560 0.00091102 -0.00069650
0.00433487 0.00691955 0.00728563
24.58526238 -2.50487524 -7.10929818
0.00013903 0.00010082 0.00055716
0.00354099 0.01365475 -0.00028611
24.09306857 -0.63606577 -9.22476369
-0.00020513 -0.00020270 0.00010340
-0.00128271 0.00901230 -0.03232839
12.47124834 -10.27460101 -9.70854661
-0.00066138 0.00040886 -0.00008345
-0.00383127 0.01402574 -0.00832672
12.46748994 -8.45491040 -12.09907848
-0.00012238 -0.00043528 0.00033241
-0.00056351 -0.00795068 0.00549338
-9.35904484 -9.13458003 18.27621589
0.00034758 -0.00028690 0.00012060
0.01345120 -0.00035404 0.00793118
-11.61685787 -9.64845439 16.74958538
0.00023567 0.00112379 0.00057528
0.04230857 -0.01308590 -0.00227152
8.37389067 0.30873279 -30.09885776
0.00024020 -0.00050433 0.00006410
0.01653606 0.00590372 -0.00118548
5.68089353 0.72787775 -29.17320511
-0.00006127 -0.00095356 -0.00039281
0.01530550 -0.01090556 0.01224259
12.48740751 19.53986707 12.48789626
0.00030422 -0.00048166 -0.00024132
0.00167596 0.03006070 -0.00051673
13.65257788 17.37664708 10.78811506
-0.00154347 0.00061827 -0.00015826
-0.00496349 0.01185088 0.00745554
27.70377449 7.71192129 -11.52353623
0.00015888 0.00001457 -0.00004114
0.02568396 0.00201307 -0.01237129
25.85967289 7.23421454 -9.33648591
-0.00069385 -0.00061054 0.00002455
0.00014284 0.00622910 0.00240729
-7.08801618 4.56950884 6.68115716
0.00027401 -0.00010313 -0.00007329
-0.00321177 -0.00438401 -0.00593784
-8.91371836 8.72463984 3.87815717
0.00022180 -0.00010777 0.00001219
-0.00366390 -0.00892951 -0.00302890
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07906229
0.28944906
385.67636401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4437429371 (a.u.)
total exchange computation time: 3.0599629879 s
-154.2825032191
-931.36529261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4426588240 (a.u.)
total exchange computation time: 3.0606839657 s
-154.2916546288
Anderson extrapolation: theta=1.3534373248 (1.3534373248)
-931.36555884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4410739037 (a.u.)
total exchange computation time: 3.0605580807 s
-154.3047383825
Anderson extrapolation: theta=0.0545704299 (0.0545704299)
-931.36571986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.4408962482 (a.u.)
total exchange computation time: 3.0596470833 s
-154.3060579609
Anderson extrapolation: theta=2.0317876606 (2.0000000000)
-931.36572660
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4405160976 (a.u.)
total exchange computation time: 3.0609261990 s
-154.3088109895
Anderson extrapolation: theta=0.2520400269 (0.2520400269)
-931.36573425
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4404163153 (a.u.)
total exchange computation time: 3.0608608723 s
-154.3094658930
Anderson extrapolation: theta=1.7303845608 (1.7303845608)
-931.36573586
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4402691571 (a.u.)
total exchange computation time: 3.0609219074 s
-154.3103474193
Anderson extrapolation: theta=0.2964996551 (0.2964996551)
-931.36573771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4402519087 (a.u.)
total exchange computation time: 3.0612261295 s
-154.3103641689
Anderson extrapolation: theta=1.1912266657 (1.1912266657)
-931.36573817
73.702089 67.775628 -294.613382
545.973420 1080.120216 -416.213588
619.675509 1147.895844 -710.826970
1485.576517
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4402517044 (a.u.)
total exchange computation time: 3.0610141754 s
679.87218376
-1085.98250227
89.74631098
-387.57387779
-174.98760148
79.49613410
551.60419304
0.00000000
-931.36573851
3.61165144 -31.28941272 -3.83354163
-0.00036008 0.00027219 -0.00009622
0.00525149 0.01149468 -0.01898191
-11.16629546 2.21196951 -9.35032640
-0.00013247 -0.00020118 -0.00007842
-0.03275179 -0.03829413 0.01484245
-37.03994042 1.93859649 3.97692450
0.00024943 0.00017361 0.00010942
0.06052662 0.02881388 -0.01013569
-7.72133973 -3.63171183 2.96053452
0.00002747 -0.00003996 -0.00025709
-0.00144154 0.00469781 0.00462880
2.31262709 -0.02469673 9.68711636
0.00027141 0.00007909 -0.00003138
0.03215789 -0.04752330 -0.00120704
-31.28245646 1.40493304 3.49361524
-0.00003675 0.00007976 -0.00005579
0.02772261 -0.03388990 0.00963534
16.45703711 13.20781979 -17.69316430
0.00017386 -0.00032629 -0.00003565
0.01767972 0.03378443 0.01280926
-3.29458636 4.90024898 4.12309160
-0.00019242 -0.00010681 -0.00043486
0.01060697 0.00419904 0.03577694
4.84980467 17.38016767 -6.61496578
0.00007343 -0.00010405 -0.00039921
-0.03612316 -0.04223264 -0.01179482
8.29241423 7.37846874 -21.22809282
-0.00001642 0.00045076 -0.00028380
0.00068498 -0.01074486 -0.00506423
19.85771671 18.82348442 -5.33948583
0.00048478 -0.00012172 0.00013810
0.00134422 -0.01790835 -0.01495658
2.04438916 14.67522102 -21.41165169
0.00009501 -0.00003400 0.00005341
-0.02738318 -0.00514744 -0.00744957
10.51845905 -5.53924673 0.05367526
0.00022110 0.00009831 -0.00006379
0.01008657 0.00232281 0.00847033
-16.50012595 -5.55946547 4.81012855
0.00020328 -0.00009378 -0.00017613
0.02070439 -0.00465320 0.01531188
-14.21681726 -1.52712512 20.74650687
0.00011129 0.00002870 -0.00002613
0.00528683 -0.02146536 0.03392555
0.77030573 3.65543037 -4.81039115
-0.00054533 -0.00013490 -0.00008765
-0.01467715 -0.00331719 0.02581809
20.88324595 -9.57290924 -4.22622101
-0.00030480 0.00005651 -0.00031312
0.00443453 -0.00153908 -0.00778445
2.78876444 -10.85154827 6.74497657
0.00000109 -0.00012409 0.00005950
-0.06495027 0.02126847 0.00350598
-1.83646481 -1.80579599 -19.41478748
-0.00022182 -0.00021550 0.00009489
0.01064080 0.04469516 0.02821738
-0.58880100 5.18052767 -11.26687384
0.00017594 0.00045892 -0.00017682
-0.02362314 0.01229733 -0.03087805
-4.87565498 15.48794786 13.62207292
0.00006769 0.00013136 0.00060385
-0.02140997 -0.01750845 -0.00356120
-4.97330126 3.10195595 -7.98909969
-0.00005938 0.00015840 -0.00046477
0.00838968 0.02002607 0.00652880
-8.61102104 0.06839524 -4.38875431
0.00030163 -0.00011678 0.00020511
0.00299322 0.02681705 0.01592429
2.98670102 27.81643130 5.66987976
0.00016306 -0.00020920 -0.00026432
0.00443987 -0.02012883 0.02384006
8.67714840 -9.60122423 -2.09348846
-0.00021919 -0.00002922 -0.00001773
-0.03000080 -0.02598103 -0.00746422
-6.27004266 1.38765434 9.96129009
0.00023596 -0.00015481 0.00032236
-0.04506358 -0.00694374 -0.00620561
19.77227142 9.55777655 5.97573837
0.00001805 -0.00010666 -0.00025922
-0.02926719 -0.00834975 -0.01337081
-3.41627072 0.60203801 -24.30413031
-0.00003868 -0.00015472 -0.00000693
0.08399384 0.00582853 0.05602485
-13.63860094 8.45728512 9.44932781
-0.00003951 0.00010497 -0.00010508
-0.00167041 -0.00839226 0.01274160
-13.76680579 5.75894740 -3.91162282
0.00029172 -0.00012797 -0.00007198
0.00868752 -0.05155557 -0.03551497
-3.78716959 -15.07227189 21.24041085
0.00007457 0.00010311 0.00028136
-0.00936995 -0.01688441 -0.00933210
-6.33940852 8.57849484 -6.49784685
-0.00020328 0.00020365 0.00033634
0.00634032 0.02530122 -0.00148208
-19.77180439 30.36087379 1.28551128
0.00013442 0.00032319 0.00018481
0.04148059 0.00174971 0.00154256
10.28753325 3.64716461 8.11790344
-0.00009891 0.00027439 -0.00007945
0.02330324 0.06594444 0.04109757
7.42271594 16.51805682 -11.73586031
-0.00020459 0.00006574 0.00007520
-0.00590589 -0.01970348 0.02144714
14.04570277 4.48506853 -0.60151677
0.00003850 -0.00039304 0.00060722
0.04250390 -0.05191849 -0.01649283
-5.75647116 11.86978505 -1.29160495
-0.00052961 0.00009109 0.00015767
0.01583797 0.00624921 -0.02617961
8.35956663 11.41565366 4.92605270
0.00023599 -0.00072604 -0.00003133
-0.02489052 0.03150533 0.00608943
19.86846518 -11.16385435 -10.56765164
0.00010614 -0.00001388 -0.00037357
0.00587229 -0.04387012 0.02216067
19.23814350 -5.82597182 -0.18712284
0.00010621 0.00015716 0.00018672
-0.00221020 0.02130263 -0.01335024
15.91676890 7.59568725 9.61621229
-0.00019656 -0.00015789 0.00004457
0.00536437 -0.01468844 -0.00186261
3.82811274 -14.61826941 16.57381902
-0.00022607 -0.00002090 0.00004063
-0.01555032 0.01297932 0.01757835
-3.69504561 -2.55379511 -13.95674867
-0.00028453 -0.00003391 -0.00036787
-0.00259915 0.03074720 -0.01234686
16.26788325 -6.48807156 -13.19957734
0.00016390 0.00029999 0.00019879
-0.02762307 -0.00913914 -0.03077880
10.57168351 -4.45158629 6.51733852
0.00001610 -0.00025530 0.00023089
0.04573593 -0.00105069 0.00543924
-19.54520367 0.84962790 25.13993737
-0.00023199 0.00008305 0.00025169
-0.03512764 -0.00146190 -0.01490780
24.03765046 -0.74261655 -7.43656848
-0.00012822 0.00003787 0.00013896
-0.00230956 -0.01884124 0.02398592
11.51038335 -9.74074405 -11.20440855
0.00015636 0.00008189 0.00015029
0.00076747 -0.00846595 0.00757401
-9.71862759 -9.94742168 16.70037559
-0.00009679 0.00004008 0.00030797
-0.04846760 0.01230430 -0.00883678
7.36145638 0.11703105 -28.60055698
-0.00008215 -0.00037650 -0.00011385
-0.03182957 0.00722142 -0.00355644
12.58537795 17.78981637 12.25659860
0.00006479 0.00006200 0.00002532
0.00495291 -0.03753224 -0.00126132
25.96278002 7.47091746 -11.16120458
0.00015609 0.00027532 -0.00006082
-0.02471120 -0.00165242 0.01422377
3.80001445 -29.73800427 -4.90928406
0.00086376 0.00062142 -0.00005707
0.00450457 -0.01357896 0.00855748
3.34664350 -30.62561923 -2.13132703
-0.00023371 0.00106558 0.00043746
-0.00129831 0.00569318 0.01289638
-9.70763648 3.04180927 -8.86609082
0.00061373 -0.00056894 -0.00018690
0.03616236 0.02079265 0.01307926
-11.58617491 2.65216385 -11.03799146
-0.00024592 0.00033910 0.00005053
-0.00397397 0.01286166 -0.02970123
-36.79165367 3.50571490 2.99047420
0.00040628 0.00031879 -0.00041289
-0.01095325 -0.01393597 0.01191761
-38.76162631 1.54315374 3.86271973
0.00101158 0.00027611 0.00087408
-0.03755314 -0.01069052 -0.00440703
-9.12756717 -4.15479352 1.86578910
-0.00043193 -0.00149347 0.00067145
0.00439158 -0.00987399 -0.00400980
-6.28416837 -4.71435621 2.62804388
-0.00007920 -0.00037876 -0.00013655
-0.00739287 -0.00180587 -0.00132160
3.50341618 -1.35497040 8.96347496
-0.00018193 0.00014911 -0.00046038
-0.02913020 0.03528796 0.01077047
1.72574788 0.98144761 8.32026945
-0.00088282 -0.00013195 -0.00054778
-0.00144114 0.00921037 -0.01400206
-30.82081984 -0.44199321 3.83002047
0.00006911 -0.00004105 -0.00009892
-0.00468510 0.03345768 -0.01315893
-33.08021149 1.40811271 3.44184363
-0.00054932 -0.00093751 0.00111280
-0.01775887 -0.00146216 0.00167882
15.51405709 11.99226619 -18.61780453
0.00010671 0.00154020 0.00052472
-0.01780120 -0.01446997 -0.00693030
17.98540336 12.29640701 -17.26408070
-0.00005144 0.00018549 -0.00004864
0.00093613 -0.00565924 -0.00084868
-2.71921922 6.45616539 5.02971112
0.00066466 -0.00098395 -0.00090742
-0.00265745 -0.01816398 -0.00419102
-3.74833495 5.68264389 2.59971490
0.00035616 0.00037219 -0.00075101
-0.00630511 0.00783931 -0.03423366
5.86629256 16.97147839 -8.06841671
-0.00032558 0.00124367 0.00052674
0.00853663 0.00437767 -0.01213987
5.60540362 18.65067211 -5.68263203
-0.00034434 -0.00019801 0.00099427
0.03009485 0.03212759 0.01931962
9.03836065 6.40821709 -22.59219907
0.00030877 0.00010320 0.00055298
-0.01415137 0.00262470 -0.01223711
9.67225205 7.45545224 -20.04187641
0.00044859 0.00048480 0.00033741
0.00463152 0.01278020 0.01420093
19.67514908 20.24576676 -4.28795068
0.00022966 0.00072065 -0.00098411
-0.01700333 0.02548946 0.03390363
20.97914991 19.66862127 -6.48093605
0.00109993 0.00043779 0.00000339
0.01242127 -0.00377347 -0.01763402
1.79802430 12.98458750 -20.71234203
-0.00106778 -0.00003008 0.00064314
0.00275566 0.01073407 0.00135106
0.27895882 15.21347287 -21.93861072
-0.00060122 -0.00087627 0.00013522
0.02174674 -0.00481442 0.00946691
9.77086367 -7.13440225 -0.47317965
-0.00046154 -0.00070890 -0.00031002
0.00045823 0.00041420 -0.00163528
9.25840185 -4.28197768 -0.35476581
-0.00037907 0.00044475 -0.00007665
-0.00094175 0.00680887 -0.00172821
-17.07299948 -6.52773614 6.22940179
-0.00033387 0.00009300 -0.00058199
0.00208238 -0.00092623 0.01254719
-18.00834552 -5.33013426 3.91232464
-0.00000033 0.00000140 0.00036790
-0.02420779 0.00368138 -0.02658583
-14.26158315 -0.95431065 19.10205639
0.00001941 0.00006877 0.00050308
0.00122443 0.01548179 -0.05455244
-15.06864232 -0.24753355 21.64562475
-0.00035641 0.00035666 -0.00062734
-0.01167053 0.01275035 0.02037771
-0.17906949 2.94368045 -3.35273024
0.00023673 0.00040036 0.00004645
0.01057110 0.00545855 -0.02621568
1.02215587 2.28327271 -6.00409510
0.00074956 0.00047973 0.00008155
-0.00125431 -0.00334507 0.00819468
20.00376765 -9.07385630 -5.80347284
0.00028975 0.00013896 -0.00047140
0.02812500 -0.00167045 0.01840843
22.82980623 -9.36804626 -4.15675252
-0.00082132 0.00061924 -0.00028340
-0.04173136 -0.00094422 -0.01846048
4.45695914 -11.20457939 6.61085940
-0.00075987 0.00037110 -0.00008975
0.07343388 -0.01634803 -0.01951879
2.49246439 -11.43169763 8.41980456
-0.00018202 0.00095757 -0.00057358
-0.00781721 -0.00300021 0.01888175
-2.61688114 -3.06451098 -20.38338280
0.00055080 0.00031605 0.00099976
-0.01669718 -0.03222800 -0.01207954
-2.79139917 -1.43342319 -17.86140577
-0.00082785 -0.00048228 0.00009694
0.00640641 -0.01090933 -0.01655164
1.13006121 5.73365934 -11.47845418
-0.00102594 -0.00032347 0.00009836
0.00939391 -0.00535143 0.01670433
-1.01419068 4.34217628 -9.74724697
-0.00053345 0.00000576 0.00073026
0.00400952 -0.00594001 0.01852305
-4.15606830 16.70575276 14.69176204
-0.00037952 0.00009851 -0.00104265
0.02458229 0.02231093 0.02311181
-6.62620376 16.07034898 13.67361621
0.00020355 0.00021802 -0.00069433
0.00019424 -0.00731138 -0.00219373
-5.37103098 2.11232294 -6.55295025
0.00052552 0.00002985 -0.00037369
-0.00413243 -0.01034739 0.01374694
-5.45682540 2.11724354 -9.46245286
0.00083501 -0.00018214 0.00017643
-0.00242415 0.00077182 -0.00754155
-9.29191593 -1.60481591 -4.41481284
0.00003087 -0.00086700 -0.00019059
-0.00755197 -0.00218920 0.00849777
-9.45028713 1.14143214 -3.07989976
-0.00076985 -0.00039089 0.00107433
0.00918954 -0.02224970 -0.01992882
2.43452730 29.03145616 4.46213797
0.00005218 -0.00070531 0.00115309
-0.00778445 0.01400223 -0.00670997
2.33973018 28.20755854 7.35257624
-0.00109929 -0.00040710 -0.00030234
0.00526166 0.00223599 -0.02005390
7.07078421 -9.97857551 -3.08672405
-0.00019848 0.00120628 0.00086329
0.02675441 0.00834157 0.02864889
8.95854436 -10.99496491 -0.87345736
0.00044869 -0.00007574 -0.00039781
-0.00892033 0.00730757 -0.01629551
-5.50824921 -0.21893691 9.61234776
0.00027288 0.00093720 -0.00033817
0.02901003 -0.01899215 -0.01393757
-8.03885787 0.77929356 9.94849854
0.00000243 0.00058625 -0.00015837
0.01147785 0.01856781 0.00331663
19.23972321 9.64612579 7.68478605
-0.00059164 0.00042087 -0.00092871
-0.01325356 -0.00332202 0.02259267
21.40651390 10.17222255 6.04440827
0.00121234 -0.00023202 -0.00007567
0.05177704 0.01562289 -0.00482815
-2.97269312 0.59858321 -22.38916882
-0.00048466 0.00037833 0.00067694
-0.01643065 -0.00514934 -0.04954203
-5.12548141 0.48585893 -24.48529617
0.00037210 -0.00059590 -0.00065852
-0.06738782 -0.00344181 -0.00392549
-12.81551537 9.54496115 10.66218037
-0.00017367 0.00002508 0.00000255
0.00593296 -0.00039220 0.00124810
-13.56920428 9.52943902 7.98820757
-0.00077542 -0.00004831 -0.00048192
-0.00385735 0.00887084 -0.02245643
-13.74787856 4.11562410 -4.94676320
0.00028302 -0.00000425 0.00010970
0.00595718 0.03462499 0.02984895
-14.97921616 6.66459790 -4.93048110
-0.00027918 -0.00057343 0.00059847
-0.00974737 0.00967162 0.00678580
-5.37927740 -16.10362039 21.12524212
-0.00039217 0.00017885 -0.00081605
0.01139309 0.01005191 0.00311453
-2.99325744 -15.37517568 19.61206526
0.00017150 0.00034302 -0.00018484
-0.00240595 0.00462012 0.00567086
-6.52813157 6.81179512 -6.59032690
-0.00005651 0.00011418 -0.00004334
-0.00241915 -0.02515635 0.00122615
-7.66427698 9.31037410 -5.44188659
-0.00106822 -0.00058546 -0.00080757
0.00165728 -0.00310782 -0.00876553
-20.88472643 30.98979468 0.02109372
-0.00089301 -0.00029832 0.00034931
-0.00213930 0.00173663 -0.01020264
-17.93428281 30.53945099 0.77809487
-0.00018156 -0.00082829 -0.00073734
-0.03778592 -0.00363839 0.00648092
9.11961827 3.11191896 6.93486763
-0.00080002 -0.00017619 0.00001935
-0.03649613 -0.02264944 -0.03705311
9.76821780 5.52146127 8.43495209
-0.00037997 0.00007322 0.00025293
0.01171621 -0.04018383 -0.00291372
8.49184381 17.85600448 -12.32803184
-0.00015742 -0.00049162 0.00040044
0.00759583 0.00013770 -0.00750742
8.63680489 15.16847969 -11.29235702
0.00003285 -0.00002934 -0.00042168
-0.01018407 0.01413054 -0.00635752
12.84310760 5.58190014 0.00772712
0.00035123 0.00046077 -0.00052182
-0.02884702 0.03389389 0.02287172
14.39590810 3.25505277 0.78190744
-0.00001709 -0.00024458 -0.00029907
-0.01392964 0.01340378 -0.00742409
-4.59544418 11.72128542 -2.77768263
0.00058615 -0.00008956 -0.00071153
-0.01206596 0.00881267 0.01936822
-5.39751368 10.21834198 -0.59492662
0.00066363 -0.00050977 -0.00140076
-0.00159442 -0.00557855 0.00674564
7.75712979 13.21230348 4.75150996
-0.00055583 0.00026880 -0.00008112
0.01657045 -0.02791314 -0.00000793
10.14751448 11.34988597 4.55170755
0.00067054 -0.00042741 0.00000570
0.00538013 -0.00015430 -0.00260214
18.81591704 -11.10424430 -8.98786332
0.00065086 0.00094101 0.00060807
0.01765452 -0.00464824 -0.02743467
20.67333030 -12.94933788 -10.55928802
-0.00015414 0.00003993 0.00055970
-0.02222330 0.04234522 0.00421437
18.93217565 -4.93433186 -1.80168652
0.00048948 0.00070995 -0.00018555
0.00779611 -0.01672856 0.01343710
18.22046925 -7.35105968 -0.26255556
0.00049431 0.00036248 0.00041519
-0.00644605 -0.01112176 -0.00245071
15.04565986 9.12201753 9.33715715
-0.00070001 -0.00051225 -0.00004884
-0.01466909 0.01913811 -0.00656128
16.58531407 7.76287482 11.28251358
0.00018529 0.00057864 0.00004952
0.00368093 -0.00226135 0.01098908
2.69802100 -15.67245164 17.59824607
0.00053392 -0.00026133 0.00021424
0.00717388 -0.01877756 -0.01680167
3.27952626 -13.02543488 17.30584827
-0.00021629 -0.00074066 -0.00045236
0.01178121 0.01048110 -0.01371125
-4.22241979 -4.29462332 -13.66045505
-0.00086166 -0.00008413 -0.00022999
-0.00424564 -0.00945497 0.00412855
-2.02635938 -2.27890284 -13.38265651
-0.00070526 0.00004811 -0.00010782
0.01786151 -0.00056594 0.00669035
16.01979358 -7.32733765 -14.87828924
0.00001955 0.00031157 0.00050980
0.00623069 -0.00398108 0.00822405
17.19112940 -7.53762256 -12.06331230
0.00003462 0.00074578 0.00018611
0.00835272 -0.01066490 0.00995002
9.39612244 -4.35059579 5.14728282
-0.00116692 0.00055432 0.00099261
-0.00405402 -0.00245819 -0.00877187
12.34792283 -4.55580836 5.80483448
-0.00009166 0.00090930 0.00054925
-0.03961541 0.00564767 0.00326833
-21.12739176 -0.00834728 24.55738746
0.00079676 -0.00039653 0.00048400
0.02307409 -0.00034347 0.01326542
-20.15385705 2.57101655 25.33211932
-0.00003561 0.00092913 -0.00066799
0.00544990 0.00194570 0.00667117
24.58745641 -2.50294449 -7.10094951
0.00015313 0.00015749 0.00055495
0.00335870 0.01408265 -0.00079839
24.08995233 -0.63883012 -9.22420329
-0.00021021 -0.00016649 -0.00002749
-0.00120699 0.00871575 -0.03174590
12.46121030 -10.26803839 -9.71005355
-0.00067158 0.00046318 -0.00010935
-0.00116239 0.01256769 -0.00434973
12.46563704 -8.46168320 -12.09392397
-0.00011991 -0.00046141 0.00035040
0.00177174 -0.00484086 0.00331223
-9.35341897 -9.13889442 18.27826794
0.00040416 -0.00028716 0.00015615
0.01424469 0.00022680 0.00947076
-11.61202641 -9.63199856 16.75814499
0.00040539 0.00106958 0.00056539
0.04077452 -0.01344969 -0.00257141
8.37800035 0.30134868 -30.09793260
0.00030710 -0.00048001 0.00005964
0.01621385 0.00600165 -0.00099731
5.68044354 0.71324019 -29.17872218
-0.00000009 -0.00099698 -0.00034365
0.01464307 -0.01034792 0.01182263
12.49202214 19.53356335 12.48426056
0.00030971 -0.00034845 -0.00024134
0.00101092 0.03514658 0.00050861
13.62927378 17.38628430 10.78596964
-0.00155698 0.00066296 -0.00013691
-0.00164922 0.01002338 0.00299271
27.70694475 7.71220157 -11.52453248
0.00026339 0.00002270 -0.00008998
0.02547166 0.00196769 -0.01153287
25.84926952 7.22524728 -9.33604391
-0.00069119 -0.00058403 0.00003001
0.00116116 0.00674808 0.00026440
-7.08391472 4.56795008 6.68004191
0.00027284 -0.00010468 -0.00007543
-0.00331490 -0.00423470 -0.00600895
-8.91039781 8.72300770 3.87833469
0.00022091 -0.00010985 0.00001149
-0.00393076 -0.00898394 -0.00298444
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07901979
0.28671872
382.03831377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4477607888 (a.u.)
total exchange computation time: 3.0614929199 s
-154.2900997332
-931.36389901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4465806452 (a.u.)
total exchange computation time: 3.0606338978 s
-154.3001058104
Anderson extrapolation: theta=1.3426400252 (1.3426400252)
-931.36417207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4448845823 (a.u.)
total exchange computation time: 3.0655219555 s
-154.3142088662
Anderson extrapolation: theta=0.0504200069 (0.0504200069)
-931.36433442
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4447118879 (a.u.)
total exchange computation time: 3.0628008842 s
-154.3155143255
Anderson extrapolation: theta=1.8941668698 (1.8941668698)
-931.36434035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.4443585558 (a.u.)
total exchange computation time: 3.0597729683 s
-154.3181302051
Anderson extrapolation: theta=0.2190547003 (0.2190547003)
-931.36434639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4442734855 (a.u.)
total exchange computation time: 3.0600938797 s
-154.3187072960
Anderson extrapolation: theta=1.8857887352 (1.8857887352)
-931.36434756
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4441349425 (a.u.)
total exchange computation time: 3.0592639446 s
-154.3195796568
Anderson extrapolation: theta=0.2816641972 (0.2816641972)
-931.36434906
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.4441192497 (a.u.)
total exchange computation time: 3.0626938343 s
-154.3196085871
Anderson extrapolation: theta=1.3011466293 (1.3011466293)
-931.36434945
73.714179 67.782021 -294.612029
545.913001 1080.167960 -416.217275
619.627179 1147.949981 -710.829304
1485.599306
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4441175891 (a.u.)
total exchange computation time: 3.0766911507 s
679.93223559
-1086.11647340
89.74420071
-387.48252077
-174.99767433
79.56997102
551.60419304
0.00000000
-931.36434979
3.60627055 -31.28528551 -3.83505821
-0.00035732 0.00027916 -0.00010498
0.00547999 0.01559029 -0.01507263
-11.16840877 2.20880406 -9.35144543
-0.00014824 -0.00022018 -0.00007060
-0.02857440 -0.03556529 0.01557739
-37.03596546 1.94131176 3.97852667
0.00028227 0.00018925 0.00010396
0.06717538 0.03202476 -0.01109478
-7.72093326 -3.63229317 2.95669604
0.00002660 -0.00003788 -0.00025492
-0.00192128 0.00341147 0.00382204
2.31682229 -0.02369369 9.68664106
0.00028718 0.00005581 -0.00003307
0.02918121 -0.04302081 -0.00537212
-31.28290071 1.40599868 3.49281551
-0.00002371 0.00006205 -0.00005077
0.02295630 -0.03495520 0.00991387
16.45971320 13.20305580 -17.69364969
0.00018392 -0.00030620 -0.00002747
0.02144828 0.04432033 0.01899920
-3.29743169 4.89866308 4.11670665
-0.00018743 -0.00010509 -0.00041789
0.00878346 0.00247153 0.03024466
4.85076672 17.37844408 -6.62099935
0.00005412 -0.00012398 -0.00040239
-0.03895038 -0.03530182 -0.00058483
8.29217056 7.38518862 -21.23236928
-0.00001513 0.00044553 -0.00028500
0.00434884 -0.00958362 0.00037694
19.86499352 18.82158950 -5.33747202
0.00048636 -0.00012989 0.00012966
0.00482382 -0.01386157 -0.01787382
2.04570871 14.67469113 -21.41087927
0.00008009 -0.00003732 0.00004981
-0.03064311 -0.00775611 -0.00656761
10.52181442 -5.53776308 0.05275101
0.00022469 0.00009878 -0.00006022
0.00389876 -0.00052099 0.00541936
-16.49699693 -5.56089013 4.80754569
0.00021391 -0.00009602 -0.00016857
0.02063360 -0.00404613 0.01408992
-14.21512759 -1.52677745 20.74624572
0.00011367 0.00001789 -0.00000760
0.00399339 -0.02056155 0.03813231
0.76206917 3.65339411 -4.81160637
-0.00055238 -0.00013544 -0.00007462
-0.01274298 0.00119599 0.02485661
20.87869101 -9.57206751 -4.23094777
-0.00030292 0.00005563 -0.00031706
0.00288024 -0.00189406 -0.00756382
2.78853021 -10.85332752 6.74588254
-0.00003394 -0.00011217 0.00005968
-0.07126829 0.02507032 -0.00280907
-1.83975109 -1.80885615 -19.41325530
-0.00021551 -0.00019053 0.00011126
0.01389619 0.05241680 0.03542930
-0.58625307 5.18745891 -11.26964519
0.00016044 0.00046311 -0.00019011
-0.03662590 0.00400021 -0.02080691
-4.87472219 15.48985069 13.63111694
0.00005580 0.00012042 0.00060034
-0.02482192 -0.02501254 -0.01008613
-4.97415965 3.10440920 -7.99604610
-0.00005483 0.00016912 -0.00046046
0.00930687 0.02164437 0.01025079
-8.60648501 0.06674699 -4.38561629
0.00030183 -0.00010388 0.00021420
-0.00223271 0.02333253 0.01944486
2.98916410 27.81321566 5.66600695
0.00016574 -0.00022098 -0.00024972
0.00596216 -0.02568036 0.03293687
8.67374483 -9.60176271 -2.09378327
-0.00023361 -0.00004194 -0.00002110
-0.02606383 -0.02348211 -0.00563079
-6.26667708 1.38530540 9.96610161
0.00021224 -0.00015686 0.00031935
-0.04717731 -0.00103420 -0.00550734
19.77242929 9.55614442 5.97179852
0.00000607 -0.00010998 -0.00026696
-0.01733244 -0.00453983 -0.01672780
-3.41652687 0.59973966 -24.30401813
0.00000499 -0.00015151 0.00002248
0.08582087 0.00665665 0.05832481
-13.63920007 8.45882735 9.44780077
-0.00004043 0.00010075 -0.00009887
-0.00190800 -0.00802839 0.01141401
-13.76239646 5.75682903 -3.91283954
0.00029638 -0.00015437 -0.00008981
0.00943022 -0.05110820 -0.03381997
-3.78608723 -15.07079029 21.24459531
0.00006956 0.00009406 0.00027568
-0.01008830 -0.01833670 -0.01275772
-6.34243331 8.58164724 -6.49280751
-0.00019971 0.00021594 0.00033529
0.00757038 0.02245986 -0.00260317
-19.76962812 30.36572837 1.28828941
0.00015485 0.00032417 0.00018524
0.03797267 0.00206103 0.00011202
10.28613949 3.65153479 8.11687016
-0.00008799 0.00030752 -0.00005943
0.01914636 0.06289940 0.03675964
7.41962432 16.51896688 -11.73464963
-0.00020792 0.00005483 0.00008648
-0.00704669 -0.02269378 0.02244201
14.04644420 4.47897262 -0.59247214
0.00006013 -0.00041881 0.00059755
0.04162655 -0.04826285 -0.02111840
-5.76435428 11.87117544 -1.28934088
-0.00051999 0.00009362 0.00014273
0.02157775 0.00359097 -0.03192713
8.36301053 11.40488464 4.92560621
0.00022333 -0.00070843 -0.00002846
-0.02436810 0.03695995 0.00507980
19.87007991 -11.16423175 -10.57316974
0.00010863 -0.00003611 -0.00036132
0.00381288 -0.04257472 0.02548146
19.23972819 -5.82353222 -0.18437356
0.00010547 0.00016894 0.00017934
-0.00069770 0.02450793 -0.01533812
15.91384122 7.59326219 9.61687367
-0.00019360 -0.00016536 0.00004411
0.00615332 -0.01434891 0.00006948
3.82466164 -14.61853287 16.57449629
-0.00023334 -0.00001551 0.00004889
-0.01271996 0.00798351 0.01455549
-3.69932354 -2.55418516 -13.96231438
-0.00028647 -0.00001838 -0.00037446
-0.00496808 0.02963824 -0.01325692
16.27023517 -6.48360693 -13.19671419
0.00014938 0.00029574 0.00018287
-0.02884637 -0.00737983 -0.03115163
10.57210149 -4.45541984 6.52082291
0.00003875 -0.00025571 0.00023379
0.04231936 -0.00055430 0.00581509
-19.54881905 0.85086806 25.14365520
-0.00024919 0.00008381 0.00024450
-0.03173817 0.00441180 -0.01303608
24.03571822 -0.74212120 -7.43439161
-0.00012937 0.00002823 0.00015088
-0.00213904 -0.01865215 0.02239093
11.51273172 -9.73954842 -11.20212494
0.00015541 0.00007711 0.00015366
-0.00447512 -0.01012028 0.00550185
-9.72026644 -9.94677302 16.70496101
-0.00012126 0.00004632 0.00030317
-0.04666320 0.01197534 -0.00983712
7.36010140 0.11141138 -28.60227846
-0.00009805 -0.00037297 -0.00011564
-0.03001891 0.00649947 -0.00341207
12.58636896 17.79060163 12.25697357
0.00006656 0.00004228 0.00002575
0.00190865 -0.03917927 0.00291373
25.96502607 7.47504092 -11.16206200
0.00014342 0.00027439 -0.00005323
-0.02454729 -0.00195832 0.01528868
3.81310890 -29.72909900 -4.90987783
0.00088061 0.00056197 -0.00002074
0.00374264 -0.01552692 0.00922282
3.34309806 -30.60946111 -2.12436998
-0.00023830 0.00108381 0.00048085
-0.00094714 0.00323255 0.00834397
-9.69732235 3.03391228 -8.86849346
0.00075283 -0.00048930 -0.00013638
0.03192632 0.01819413 0.01164998
-11.58998550 2.65764442 -11.03814359
-0.00026183 0.00039123 -0.00006943
-0.00381219 0.01265876 -0.02902019
-36.78589507 3.51006964 2.98464606
0.00036048 0.00025771 -0.00036137
-0.01146839 -0.01596200 0.01330100
-38.74760330 1.54696780 3.87569589
0.00084488 0.00023005 0.00085529
-0.04404983 -0.01185766 -0.00478898
-9.13391158 -4.17749819 1.87573798
-0.00041274 -0.00153194 0.00065603
0.00500329 -0.00895805 -0.00353975
-6.28558291 -4.72009298 2.62595515
-0.00010994 -0.00038500 -0.00014130
-0.00765499 -0.00124764 -0.00100533
3.49979461 -1.35165244 8.95689934
-0.00029873 0.00029093 -0.00041688
-0.02804655 0.03413580 0.01052138
1.71246138 0.97975054 8.31162367
-0.00088499 -0.00010112 -0.00059567
0.00037813 0.00588300 -0.00943860
-30.81992677 -0.44158376 3.82813343
0.00005096 0.00009604 -0.00015293
-0.00420120 0.03364863 -0.01327667
-33.08899550 1.39400529 3.45858706
-0.00061316 -0.00094213 0.00111958
-0.01349085 -0.00079876 0.00164170
15.51511227 12.01492577 -18.61014609
0.00002187 0.00146379 0.00048297
-0.02372675 -0.02293175 -0.01350718
17.98466047 12.29901591 -17.26483629
-0.00004297 0.00015813 -0.00005160
0.00320915 -0.00773469 -0.00059856
-2.70933070 6.44084950 5.01597146
0.00065559 -0.00105116 -0.00091955
-0.00178175 -0.01473632 -0.00174736
-3.74318577 5.68846690 2.58740066
0.00033210 0.00040065 -0.00088442
-0.00547340 0.00609507 -0.03106749
5.86167038 16.99026757 -8.06088760
-0.00027920 0.00125687 0.00046140
0.01416918 0.00208566 -0.01984329
5.60116073 18.64868638 -5.66712591
-0.00022692 -0.00007621 0.00106686
0.02738459 0.02749861 0.01621022
9.04255856 6.40984554 -22.58427936
0.00025259 0.00011152 0.00049928
-0.01334751 0.00144814 -0.01404893
9.67912276 7.46311588 -20.03638010
0.00045879 0.00053680 0.00038822
0.00036470 0.01267273 0.01067079
19.67807298 20.25735765 -4.30167341
0.00015958 0.00082274 -0.00084603
-0.01730221 0.02448205 0.03368598
20.99602942 19.67507246 -6.48142561
0.00114396 0.00041605 -0.00006184
0.00913515 -0.00686965 -0.01429558
1.78209198 12.98446525 -20.70265349
-0.00105298 0.00001729 0.00064679
0.00449230 0.01245426 0.00043556
0.27060696 15.20018132 -21.93629228
-0.00050909 -0.00089340 0.00017360
0.02334914 -0.00357275 0.00931961
9.76395461 -7.14502313 -0.47788004
-0.00045411 -0.00069493 -0.00031291
0.00317843 0.00642840 0.00022214
9.25268690 -4.27509782 -0.35596853
-0.00037568 0.00046552 -0.00008132
0.00260131 0.00336001 -0.00055617
-17.07794369 -6.52636954 6.22105642
-0.00032522 0.00008676 -0.00052650
0.00215035 -0.00212618 0.01461805
-18.00909228 -5.33000041 3.91702848
-0.00009918 0.00001754 0.00025765
-0.02417784 0.00421914 -0.02738308
-14.26125444 -0.95280471 19.10793096
0.00002513 0.00013344 0.00027195
0.00157278 0.01617533 -0.05858913
-15.07434609 -0.24179292 21.63683904
-0.00040242 0.00040562 -0.00054466
-0.01085315 0.01121560 0.02009881
-0.17519466 2.94985314 -3.35283687
0.00027624 0.00041842 -0.00005622
0.00876851 0.00337972 -0.02404211
1.03336085 2.29036615 -6.00262072
0.00074424 0.00046108 0.00011268
-0.00134913 -0.00578324 0.00704152
20.00897580 -9.07182304 -5.80997982
0.00040242 0.00013299 -0.00039741
0.02702677 -0.00125261 0.01781091
22.81620769 -9.35878658 -4.16156925
-0.00098631 0.00061525 -0.00035771
-0.03903585 -0.00101027 -0.01791141
4.44781134 -11.19951383 6.60891507
-0.00044483 0.00030108 -0.00017078
0.08078231 -0.01792823 -0.02014728
2.48949450 -11.41742605 8.41177943
-0.00021617 0.00094063 -0.00048215
-0.00889666 -0.00529083 0.02587377
-2.60913078 -3.06075775 -20.36875657
0.00047356 0.00016900 0.00093793
-0.02111138 -0.03975284 -0.01818742
-2.80362066 -1.44099166 -17.86045886
-0.00079921 -0.00052683 0.00002734
0.00761627 -0.01089933 -0.01751986
1.11496003 5.72864336 -11.47646694
-0.00096607 -0.00033858 0.00016426
0.01990877 -0.00204870 0.01555462
-1.02206961 4.34208073 -9.73572543
-0.00051230 -0.00000864 0.00078781
0.00634544 -0.00111272 0.00964875
-4.16100788 16.70791415 14.67683057
-0.00027043 0.00020436 -0.00093591
0.02882049 0.02950147 0.02913620
-6.62314457 16.07339520 13.66313402
0.00020258 0.00018862 -0.00070262
-0.00067020 -0.00707735 -0.00186482
-5.36327477 2.11245366 -6.55813435
0.00050918 -0.00001153 -0.00031779
-0.00386619 -0.00990950 0.01361499
-5.44437458 2.11453501 -9.46003746
0.00082287 -0.00018279 0.00013932
-0.00351818 -0.00108740 -0.01062674
-9.29168424 -1.61788804 -4.41741129
0.00000532 -0.00086391 -0.00015583
-0.00495748 0.00370524 0.00851769
-9.46155334 1.13488694 -3.06439545
-0.00072676 -0.00048686 0.00098553
0.01190338 -0.02472718 -0.02354288
2.43507153 29.02130558 4.47922874
0.00001467 -0.00063420 0.00111031
-0.01058112 0.02080470 -0.01423059
2.32340213 28.20152061 7.34742662
-0.00107492 -0.00040020 -0.00038720
0.00666555 0.00114150 -0.02148573
7.06862693 -9.96022565 -3.07289687
-0.00009633 0.00123696 0.00097574
0.02324848 0.00667425 0.02639624
8.96500137 -10.99587709 -0.87992392
0.00041134 -0.00004747 -0.00046335
-0.00936452 0.00653319 -0.01578595
-5.50326705 -0.20546085 9.60684809
0.00039465 0.00084877 -0.00039745
0.03059516 -0.02429743 -0.01508147
-8.03846971 0.78865627 9.94622468
0.00004974 0.00066050 -0.00014459
0.01168287 0.01778039 0.00342763
19.23044253 9.65233700 7.67154773
-0.00064670 0.00040778 -0.00083015
-0.01370157 -0.00308166 0.02565373
21.42628557 10.16922091 6.04312527
0.00140090 -0.00017661 -0.00009495
0.04052782 0.01150079 -0.00460834
-2.98046649 0.60410037 -22.38053291
-0.00055225 0.00035641 0.00047022
-0.01665637 -0.00558095 -0.05164777
-5.12196483 0.47681500 -24.49529427
0.00009320 -0.00061064 -0.00067508
-0.06913680 -0.00377391 -0.00417923
-12.81793859 9.54532538 10.66225686
-0.00014941 0.00002413 0.00000673
0.00593950 -0.00007601 0.00079773
-13.58095382 9.52898613 7.98029063
-0.00079059 -0.00001350 -0.00057021
-0.00356735 0.00817239 -0.02076056
-13.74345067 4.11662140 -4.94420301
0.00030759 0.00013476 0.00022969
0.00606976 0.03342033 0.02888516
-14.98370257 6.65629282 -4.92129618
-0.00032084 -0.00053206 0.00062425
-0.01064579 0.01058084 0.00583404
-5.38481077 -16.10062957 21.11309681
-0.00034247 0.00022153 -0.00080134
0.01293442 0.01083848 0.00408688
-2.99075869 -15.36988874 19.60946645
0.00015975 0.00036301 -0.00015642
-0.00334459 0.00516101 0.00823885
-6.52905341 6.81273702 -6.59093937
-0.00006576 0.00001413 -0.00003896
-0.00210807 -0.02382049 0.00091577
-7.68024945 9.30149699 -5.45426880
-0.00106466 -0.00059506 -0.00084008
0.00008288 -0.00159405 -0.00714558
-20.89818718 30.98537308 0.02602074
-0.00089720 -0.00029334 0.00031114
0.00008996 0.00070142 -0.00848147
-17.93816411 30.52691511 0.76723341
-0.00033359 -0.00084157 -0.00071156
-0.03663126 -0.00286191 0.00613587
9.10649955 3.10858207 6.93402251
-0.00094022 -0.00026418 -0.00012271
-0.03212910 -0.02042111 -0.03248751
9.76287724 5.52132818 8.43865674
-0.00033227 -0.00008921 0.00024054
0.01163467 -0.03932765 -0.00314934
8.48971531 17.84863434 -12.32225525
-0.00012254 -0.00048436 0.00036697
0.00947905 0.00341957 -0.00887926
8.63698559 15.16847252 -11.29887697
-0.00001032 0.00002813 -0.00044711
-0.01094818 0.01400581 -0.00609029
12.84749212 5.58985024 0.00060066
0.00023482 0.00059762 -0.00042796
-0.02813767 0.03309777 0.02307252
14.39522491 3.25179478 0.77719392
-0.00007343 -0.00019465 -0.00032115
-0.01365088 0.01103875 -0.00338407
-4.58702160 11.72021207 -2.78776210
0.00052711 -0.00004992 -0.00062169
-0.01683532 0.01058893 0.02461002
-5.38760802 10.21052447 -0.61573132
0.00065527 -0.00053062 -0.00137175
-0.00249775 -0.00462570 0.00745509
7.74930014 13.21548015 4.75029299
-0.00048317 0.00014285 -0.00008025
0.01899413 -0.03373969 0.00042933
10.15773741 11.34347008 4.55171335
0.00068659 -0.00042738 -0.00000371
0.00247904 0.00016797 -0.00200492
18.82622099 -11.09027162 -8.97958297
0.00072544 0.00092170 0.00049050
0.01885190 -0.00480485 -0.03011769
20.67033721 -12.94744133 -10.55076339
-0.00024336 0.00021093 0.00057537
-0.02144914 0.04135912 0.00345627
18.93975670 -4.92419522 -1.80405801
0.00052163 0.00063784 -0.00012537
0.00794400 -0.01857067 0.01602197
18.22768644 -7.34596326 -0.25640279
0.00046468 0.00031349 0.00040366
-0.00805977 -0.01285812 -0.00319539
15.03471026 9.11492025 9.33622342
-0.00076008 -0.00043433 -0.00007581
-0.01473825 0.01900193 -0.00663907
16.58820627 7.77148509 11.28359306
0.00019892 0.00056913 0.00009056
0.00298942 -0.00239158 0.00910069
2.70624966 -15.67694700 17.60094483
0.00056105 -0.00033931 0.00014732
0.00610758 -0.01939294 -0.01595827
3.27664286 -13.03622354 17.29864266
-0.00017194 -0.00068658 -0.00050336
0.00992917 0.01599172 -0.01124932
-4.23547485 -4.29617493 -13.66377834
-0.00087764 -0.00011988 -0.00021326
-0.00357419 -0.00804716 0.00406117
-2.03639088 -2.27819860 -13.38406878
-0.00062807 0.00004583 -0.00007897
0.01992324 -0.00054731 0.00743401
16.02027778 -7.32278607 -14.87039025
0.00004494 0.00029394 0.00054095
0.00619795 -0.00464769 0.00702647
17.19190463 -7.52676271 -12.06021574
0.00007131 0.00069903 0.00022983
0.00960910 -0.01221853 0.01145086
9.37849436 -4.34235626 5.16190310
-0.00117890 0.00054394 0.00095923
-0.00180839 -0.00262520 -0.00756526
12.34533393 -4.54199578 5.81317344
-0.00025101 0.00093139 0.00055934
-0.03838527 0.00516566 0.00167119
-21.11473326 -0.01430570 24.56505390
0.00088270 -0.00039996 0.00053542
0.01899431 -0.00133683 0.01190909
-20.15422414 2.58501312 25.32230389
-0.00001131 0.00092703 -0.00064184
0.00644218 -0.00297568 0.00612910
24.58985628 -2.50015068 -7.09264976
0.00016673 0.00021512 0.00055072
0.00329756 0.01413230 -0.00126854
24.08676213 -0.64106032 -9.22558848
-0.00021502 -0.00013162 -0.00015359
-0.00114748 0.00834899 -0.02998111
12.45110103 -10.26070555 -9.71182706
-0.00067053 0.00051125 -0.00011818
0.00167270 0.01096316 0.00002657
12.46389272 -8.46875268 -12.08856646
-0.00010767 -0.00047445 0.00035917
0.00421615 -0.00154252 0.00097890
-9.34692009 -9.14319492 18.28090042
0.00046386 -0.00028550 0.00019709
0.01498000 0.00058878 0.01057163
-11.60469603 -9.61636701 16.76654702
0.00056674 0.00101434 0.00055431
0.03820670 -0.01359044 -0.00284936
8.38310371 0.29433239 -30.09706856
0.00037222 -0.00045531 0.00005657
0.01566001 0.00609151 -0.00050642
5.68089097 0.69796844 -29.18351468
0.00005728 -0.00103770 -0.00029667
0.01343994 -0.00958833 0.01117359
12.49669872 19.52941362 12.48065604
0.00031265 -0.00019740 -0.00023750
0.00042964 0.03879471 0.00137231
13.60586861 17.39653581 10.78400764
-0.00155668 0.00069995 -0.00013470
0.00179334 0.00808551 -0.00190753
27.71167608 7.71260243 -11.52623554
0.00036509 0.00003038 -0.00013497
0.02431099 0.00179134 -0.01049100
25.83893732 7.21669358 -9.33558570
-0.00068428 -0.00055537 0.00002679
0.00221894 0.00728374 -0.00184073
-7.07983106 4.56636859 6.67889441
0.00027164 -0.00010617 -0.00007759
-0.00338674 -0.00409674 -0.00607647
-8.90709094 8.72134430 3.87850183
0.00021997 -0.00011194 0.00001080
-0.00422136 -0.00902536 -0.00295717
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07898476
0.28536503
380.23459386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4494118120 (a.u.)
total exchange computation time: 3.0760791302 s
-154.2879093703
-931.36424343
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4481609459 (a.u.)
total exchange computation time: 3.0753428936 s
-154.2984848151
Anderson extrapolation: theta=1.3413480972 (1.3413480972)
-931.36452493
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4463708988 (a.u.)
total exchange computation time: 3.0760490894 s
-154.3133181615
Anderson extrapolation: theta=0.0504151560 (0.0504151560)
-931.36469210
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4461931458 (a.u.)
total exchange computation time: 3.0760169029 s
-154.3146475190
Anderson extrapolation: theta=1.8860328215 (1.8860328215)
-931.36469819
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4458317715 (a.u.)
total exchange computation time: 3.0759460926 s
-154.3172950483
Anderson extrapolation: theta=0.2190404522 (0.2190404522)
-931.36470439
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4457452068 (a.u.)
total exchange computation time: 3.0768518448 s
-154.3178771495
Anderson extrapolation: theta=1.8811071539 (1.8811071539)
-931.36470559
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4456048888 (a.u.)
total exchange computation time: 3.0749819279 s
-154.3187541884
Anderson extrapolation: theta=0.2809728174 (0.2809728174)
-931.36470715
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4455895281 (a.u.)
total exchange computation time: 3.0762810707 s
-154.3187809079
Anderson extrapolation: theta=1.2946654599 (1.2946654599)
-931.36470755
73.725431 23.411227 -294.624381
545.853481 1080.217955 -416.223370
619.578912 1103.629183 -710.847750
1451.612870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4455891382 (a.u.)
total exchange computation time: 3.0762691498 s
679.95404633
-1086.16641663
89.74390196
-387.44912643
-175.00152400
79.59717057
551.60419304
0.00000000
-931.36470791
3.60093195 -31.28103803 -3.83669107
-0.00035443 0.00028815 -0.00011165
0.00575305 0.01939867 -0.01087154
-11.17074253 2.20536423 -9.35244428
-0.00016158 -0.00023753 -0.00006254
-0.02332270 -0.03191982 0.01573982
-37.03147226 1.94427408 3.98004325
0.00031801 0.00020628 0.00009806
0.07181600 0.03418918 -0.01182314
-7.72054162 -3.63284820 2.95288704
0.00002543 -0.00003647 -0.00025319
-0.00263375 0.00205094 0.00288828
2.32124262 -0.02302254 9.68612431
0.00030120 0.00003507 -0.00003688
0.02531793 -0.03760895 -0.00943160
-31.28316786 1.40679464 3.49209226
-0.00001333 0.00004399 -0.00004561
0.01741599 -0.03529644 0.01013207
16.46255477 13.19863373 -17.69398850
0.00019589 -0.00028087 -0.00001619
0.02507862 0.05418795 0.02486017
-3.30020925 4.89709625 4.11055503
-0.00018351 -0.00010425 -0.00040408
0.00647085 0.00081360 0.02345706
4.85142829 17.37644814 -6.62703744
0.00003356 -0.00014012 -0.00039960
-0.04098751 -0.02742936 0.01141760
8.29196045 7.39183457 -21.23664284
-0.00001197 0.00044090 -0.00028343
0.00790525 -0.00840160 0.00572331
19.87230755 18.81958764 -5.33559611
0.00048968 -0.00013567 0.00011995
0.00809339 -0.00859229 -0.01987099
2.04679186 14.67410140 -21.41015751
0.00006363 -0.00004194 0.00004668
-0.03335038 -0.01019227 -0.00560164
10.52519986 -5.53628344 0.05186858
0.00022519 0.00009787 -0.00005817
-0.00198071 -0.00299864 0.00257363
-16.49370872 -5.56234600 4.80507152
0.00022418 -0.00009793 -0.00016176
0.01930553 -0.00338900 0.01238298
-14.21340711 -1.52658841 20.74627875
0.00011529 0.00000790 0.00001254
0.00228705 -0.01829019 0.04019002
0.75373430 3.65136708 -4.81262983
-0.00055835 -0.00013363 -0.00006228
-0.01046159 0.00583823 0.02312474
20.87415829 -9.57124038 -4.23573288
-0.00030193 0.00005450 -0.00032077
0.00098329 -0.00250170 -0.00683573
2.78774616 -10.85491335 6.74676683
-0.00007117 -0.00009859 0.00005665
-0.07351151 0.02771669 -0.00896481
-1.84293016 -1.81151194 -19.41144980
-0.00020765 -0.00016193 0.00013094
0.01668456 0.05880085 0.04112864
-0.58398770 5.19442101 -11.27257707
0.00013824 0.00046308 -0.00019829
-0.04970803 -0.00411179 -0.01102459
-4.87398088 15.49156056 13.64008315
0.00004235 0.00010588 0.00059377
-0.02748362 -0.03155542 -0.01545209
-4.97494624 3.10702942 -8.00291342
-0.00004988 0.00018055 -0.00045415
0.00995933 0.02280197 0.01428661
-8.60196620 0.06527875 -4.38232825
0.00029946 -0.00009290 0.00022493
-0.00695844 0.01937951 0.02227267
2.99167318 27.80980190 5.66238825
0.00016921 -0.00023555 -0.00023072
0.00753206 -0.03099674 0.04091797
8.67014019 -9.60248235 -2.09412152
-0.00024580 -0.00005327 -0.00002347
-0.02135232 -0.02059054 -0.00358608
-6.26367546 1.38294849 9.97087064
0.00018770 -0.00015607 0.00031668
-0.04826176 0.00412247 -0.00488610
19.77245344 9.55447726 5.96772963
0.00000034 -0.00011128 -0.00027617
-0.00492280 -0.00053845 -0.01909376
-3.41612093 0.59749267 -24.30345599
0.00004857 -0.00014795 0.00005267
0.08362611 0.00720273 0.05907934
-13.63981392 8.46030764 9.44636179
-0.00004148 0.00009683 -0.00009347
-0.00215134 -0.00721029 0.00956713
-13.75791437 5.75431638 -3.91431717
0.00030136 -0.00018024 -0.00010667
0.00991863 -0.04951164 -0.03173342
-3.78508269 -15.06945016 21.24868135
0.00006423 0.00008434 0.00026832
-0.01064268 -0.01945185 -0.01586006
-6.34539969 8.58497292 -6.48778826
-0.00019550 0.00022651 0.00033366
0.00878641 0.01867498 -0.00373860
-19.76715890 30.37059884 1.29106842
0.00017320 0.00032533 0.00018493
0.03337959 0.00246416 -0.00130914
10.28489343 3.65639022 8.11612047
-0.00007950 0.00033872 -0.00004199
0.01389691 0.05840950 0.03106101
7.41647834 16.51970186 -11.73326581
-0.00021186 0.00004258 0.00009821
-0.00827633 -0.02497296 0.02315990
14.04750677 4.47250437 -0.58359042
0.00008082 -0.00044214 0.00058560
0.03882433 -0.04247013 -0.02535177
-5.77207093 11.87259353 -1.28732312
-0.00050758 0.00009472 0.00012513
0.02668019 0.00069989 -0.03650209
8.36626644 11.39440076 4.92519890
0.00021106 -0.00068830 -0.00002608
-0.02332480 0.04133645 0.00416579
19.87172407 -11.16493759 -10.57849127
0.00011008 -0.00005745 -0.00034753
0.00183726 -0.04043328 0.02814121
19.24130750 -5.82090355 -0.18174260
0.00010545 0.00018218 0.00017110
0.00065138 0.02696498 -0.01672971
15.91096102 7.59072643 9.61753559
-0.00019032 -0.00017243 0.00004466
0.00657666 -0.01313576 0.00207443
3.82111240 -14.61873474 16.57528586
-0.00023911 -0.00001272 0.00005556
-0.00970123 0.00287328 0.01136132
-3.70363979 -2.55434655 -13.96798237
-0.00028947 -0.00000346 -0.00038142
-0.00670414 0.02840619 -0.01384089
16.27236456 -6.47919924 -13.19409137
0.00013435 0.00029231 0.00016694
-0.02959567 -0.00596203 -0.03079577
10.57284594 -4.45925767 6.52435216
0.00005932 -0.00025586 0.00023685
0.03768828 -0.00002394 0.00609063
-19.55267927 0.85214225 25.14727246
-0.00026443 0.00008765 0.00023833
-0.02752064 0.01050006 -0.01096397
24.03376947 -0.74176975 -7.43204200
-0.00013045 0.00001880 0.00016170
-0.00207195 -0.01801423 0.01966147
11.51504558 -9.73843086 -11.19979888
0.00015173 0.00007148 0.00015590
-0.00982355 -0.01175800 0.00321992
-9.72226527 -9.94603197 16.70947055
-0.00014451 0.00005240 0.00029797
-0.04374560 0.01165184 -0.01038252
7.35851483 0.10584186 -28.60402625
-0.00011283 -0.00036986 -0.00011737
-0.02745517 0.00561063 -0.00331207
12.58737470 17.79108464 12.25737101
0.00006673 0.00002215 0.00002844
-0.00126036 -0.03909909 0.00756749
25.96708274 7.47914926 -11.16280149
0.00013107 0.00027334 -0.00004517
-0.02350885 -0.00214949 0.01606425
3.82643271 -29.72114531 -4.90990636
0.00089435 0.00049522 0.00001781
0.00298450 -0.01714739 0.00965107
3.33949458 -30.59310488 -2.11690155
-0.00024151 0.00109184 0.00050545
-0.00062594 0.00069956 0.00369953
-9.68505159 3.02713034 -8.87018212
0.00087184 -0.00042166 -0.00009258
0.02632880 0.01491621 0.00978823
-11.59402972 2.66390079 -11.04007426
-0.00027651 0.00044196 -0.00018456
-0.00337422 0.01217501 -0.02734056
-36.78083933 3.51344614 2.97963308
0.00031286 0.00018969 -0.00030502
-0.01183958 -0.01733257 0.01428463
-38.73627994 1.55005514 3.88837856
0.00065545 0.00017997 0.00083531
-0.04867510 -0.01265632 -0.00499258
-9.13994935 -4.20075186 1.88546992
-0.00039082 -0.00156639 0.00064273
0.00572731 -0.00790330 -0.00296838
-6.28746660 -4.72590620 2.62380481
-0.00014149 -0.00038907 -0.00014474
-0.00778737 -0.00074595 -0.00067675
3.49445418 -1.34624244 8.95096854
-0.00040961 0.00042630 -0.00037524
-0.02622683 0.03212850 0.00986249
1.69919806 0.97841401 8.30239944
-0.00087941 -0.00008403 -0.00062429
0.00235321 0.00248160 -0.00457256
-30.81929117 -0.43911212 3.82543270
0.00003515 0.00023232 -0.00020707
-0.00353362 0.03306078 -0.01322624
-33.09860631 1.37984892 3.47543111
-0.00065841 -0.00094391 0.00112605
-0.00866076 -0.00007660 0.00152226
15.51471333 12.03617996 -18.60331545
-0.00008670 0.00135406 0.00041511
-0.02941902 -0.03078217 -0.01971079
17.98411426 12.30115079 -17.26562856
-0.00002542 0.00012234 -0.00005359
0.00538370 -0.00978115 -0.00038039
-2.69955137 6.42463048 5.00212472
0.00065058 -0.00110347 -0.00092128
-0.00067369 -0.01087024 0.00089725
-3.73837203 5.69466345 2.57318242
0.00031201 0.00042096 -0.00100270
-0.00436036 0.00384693 -0.02683276
5.85791658 17.00918458 -8.05457461
-0.00021005 0.00126120 0.00036504
0.01967827 0.00002996 -0.02732754
5.59859613 18.64838593 -5.65062633
-0.00012194 0.00002430 0.00112458
0.02400085 0.02170145 0.01204466
9.04593844 6.41156275 -22.57722066
0.00019979 0.00011511 0.00043851
-0.01249865 0.00030632 -0.01569613
9.68601583 7.47155618 -20.03022982
0.00045171 0.00058819 0.00042442
-0.00383239 0.01248609 0.00704971
19.67993650 20.27044896 -4.31333165
0.00008890 0.00091799 -0.00071106
-0.01729684 0.02214531 0.03238601
21.01346878 19.68110264 -6.48279129
0.00117437 0.00038184 -0.00011307
0.00574903 -0.00987581 -0.01078251
1.76643497 12.98510628 -20.69293824
-0.00103112 0.00007104 0.00064694
0.00620538 0.01385455 -0.00036206
0.26368608 15.18667081 -21.93340268
-0.00041147 -0.00090514 0.00021102
0.02443547 -0.00217328 0.00899480
9.75724035 -7.15525003 -0.48256681
-0.00043599 -0.00065743 -0.00030856
0.00569252 0.01192424 0.00190717
9.24713136 -4.26801205 -0.35720533
-0.00035802 0.00047245 -0.00008128
0.00604414 0.00003392 0.00057221
-17.08275611 -6.52513324 6.21360694
-0.00031624 0.00007604 -0.00046324
0.00224740 -0.00312173 0.01634495
-18.01132082 -5.32960799 3.92005412
-0.00019536 0.00003536 0.00014582
-0.02290641 0.00450390 -0.02735736
-14.26082933 -0.95030745 19.11021483
0.00003226 0.00019933 0.00002973
0.00192069 0.01607804 -0.05997918
-15.08071500 -0.23536493 21.62928510
-0.00044424 0.00044714 -0.00046415
-0.00961703 0.00910997 0.01930900
-0.17078244 2.95623297 -3.35441696
0.00030760 0.00042747 -0.00014849
0.00658638 0.00105000 -0.02112425
1.04448315 2.29710515 -6.00071479
0.00073871 0.00043271 0.00013913
-0.00136160 -0.00810623 0.00590512
20.01584032 -9.06986654 -5.81539523
0.00050972 0.00012908 -0.00032714
0.02549618 -0.00066317 0.01659055
22.80021679 -9.34958882 -4.16748371
-0.00113878 0.00061117 -0.00042948
-0.03559656 -0.00098463 -0.01722055
4.44361438 -11.19554702 6.60573600
-0.00010867 0.00022637 -0.00025338
0.08377043 -0.01864051 -0.02028523
2.48597936 -11.40347872 8.40534001
-0.00025418 0.00091491 -0.00036349
-0.00971033 -0.00729844 0.03221014
-2.60267425 -3.05944083 -20.35524498
0.00037999 -0.00000650 0.00085304
-0.02469335 -0.04615621 -0.02336520
-2.81537537 -1.44922812 -17.86058567
-0.00076629 -0.00057096 -0.00004504
0.00849581 -0.01070242 -0.01790769
1.10107899 5.72350183 -11.47352640
-0.00086290 -0.00034016 0.00022534
0.03059774 0.00127738 0.01434410
-1.02955965 4.34191699 -9.72361255
-0.00048179 -0.00000373 0.00080973
0.00858916 0.00351839 0.00108130
-4.16418117 16.71188357 14.66368475
-0.00014559 0.00033749 -0.00080693
0.03228814 0.03566724 0.03399938
-6.62012646 16.07600768 13.65253754
0.00019812 0.00016033 -0.00070952
-0.00151047 -0.00677402 -0.00150969
-5.35575550 2.11197707 -6.56248405
0.00049420 -0.00005039 -0.00026357
-0.00346654 -0.00911238 0.01292770
-5.43213937 2.11175985 -9.45827333
0.00080650 -0.00019082 0.00009004
-0.00449613 -0.00284165 -0.01349706
-9.29175638 -1.63073310 -4.41948771
-0.00000974 -0.00083722 -0.00012101
-0.00241115 0.00935600 0.00852431
-9.47209002 1.12682631 -3.05033399
-0.00067349 -0.00059150 0.00088345
0.01417287 -0.02649287 -0.02642252
2.43496728 29.01243003 4.49544736
-0.00003398 -0.00053605 0.00103767
-0.01322998 0.02724398 -0.02133068
2.30748259 28.19555265 7.34096022
-0.00104525 -0.00039755 -0.00047651
0.00786034 0.00015565 -0.02223005
7.06789445 -9.94146675 -3.05745197
-0.00001023 0.00126063 0.00107791
0.01889482 0.00491107 0.02361669
8.97088447 -10.99638888 -0.88735793
0.00037240 -0.00002300 -0.00052618
-0.00969571 0.00544457 -0.01496729
-5.49640984 -0.19347388 9.60042413
0.00052175 0.00074069 -0.00046115
0.03162476 -0.02860912 -0.01610025
-8.03736556 0.79910867 9.94416089
0.00009695 0.00073098 -0.00013043
0.01142666 0.01671667 0.00350533
19.22032214 9.65835934 7.65988163
-0.00070278 0.00039568 -0.00072120
-0.01374866 -0.00284507 0.02767869
21.44854104 10.16692412 6.04155984
0.00154172 -0.00013842 -0.00011326
0.02840461 0.00719421 -0.00435756
-2.98926067 0.60927550 -22.37506230
-0.00062012 0.00033277 0.00025723
-0.01656619 -0.00599042 -0.05261238
-5.12268539 0.46753979 -24.50554849
-0.00018530 -0.00062621 -0.00069193
-0.06718938 -0.00384822 -0.00407243
-12.81999780 9.54568494 10.66238225
-0.00012525 0.00002442 0.00000890
0.00588841 0.00022140 0.00026456
-13.59292199 9.52903410 7.97110135
-0.00080452 0.00001764 -0.00065025
-0.00325044 0.00706772 -0.01841885
-13.73865079 4.11966690 -4.93987256
0.00033262 0.00026700 0.00034450
0.00618181 0.03131035 0.02731596
-14.98884142 6.64863619 -4.91175371
-0.00036567 -0.00048745 0.00064657
-0.01129758 0.01125234 0.00509197
-5.38955143 -16.09697450 21.10120198
-0.00028716 0.00026690 -0.00078270
0.01414030 0.01137046 0.00503684
-2.98846492 -15.36428551 19.60737257
0.00014450 0.00038501 -0.00011817
-0.00412054 0.00561271 0.01048468
-6.53010443 6.81221906 -6.59149572
-0.00007351 -0.00007851 -0.00003573
-0.00168408 -0.02152722 0.00066645
-7.69621685 9.29252219 -5.46708893
-0.00106770 -0.00059850 -0.00086599
-0.00156986 -0.00008824 -0.00553967
-20.91164242 30.98099446 0.03042795
-0.00089184 -0.00029280 0.00028053
0.00253531 -0.00043698 -0.00650212
-17.94429040 30.51420384 0.75674800
-0.00047909 -0.00085162 -0.00068771
-0.03459594 -0.00205744 0.00554000
9.09141177 3.10399365 6.93118634
-0.00105987 -0.00034176 -0.00024363
-0.02644385 -0.01755597 -0.02670262
9.75824972 5.51878485 8.44216838
-0.00028537 -0.00024654 0.00022742
0.01132112 -0.03768596 -0.00327587
8.48816775 17.84147376 -12.31702282
-0.00008047 -0.00046428 0.00032818
0.01111308 0.00640825 -0.01010781
8.63649532 15.16932371 -11.30577018
-0.00005592 0.00008424 -0.00047115
-0.01137398 0.01346020 -0.00567770
12.85015218 5.59982878 -0.00511178
0.00012492 0.00072783 -0.00033504
-0.02565728 0.03064171 0.02241570
14.39370511 3.24921332 0.77227300
-0.00012826 -0.00015536 -0.00032581
-0.01318949 0.00819271 0.00110334
-4.57963080 11.71978767 -2.79633333
0.00045011 -0.00000336 -0.00051254
-0.02085779 0.01220509 0.02881850
-5.37785543 10.20242346 -0.63607912
0.00064304 -0.00054675 -0.00134019
-0.00348895 -0.00327023 0.00799602
7.74263457 13.21658904 4.74910232
-0.00040151 -0.00000439 -0.00007780
0.02097931 -0.03833694 0.00077065
10.16811228 11.33706449 4.55159629
0.00069059 -0.00042619 -0.00001062
-0.00052275 0.00041532 -0.00137973
18.83768030 -11.07659341 -8.97314842
0.00080385 0.00090189 0.00036340
0.01952911 -0.00488853 -0.03209740
20.66602959 -12.94301005 -10.54202695
-0.00032849 0.00037605 0.00058791
-0.02022603 0.03947140 0.00268054
18.94782461 -4.91519670 -1.80544757
0.00055412 0.00055900 -0.00005599
0.00796028 -0.02002168 0.01793846
18.23440967 -7.34165486 -0.25044584
0.00042900 0.00025821 0.00038923
-0.00940782 -0.01420453 -0.00386552
15.02285742 9.10898753 9.33488282
-0.00081939 -0.00035873 -0.00010266
-0.01429203 0.01800879 -0.00650300
16.59128169 7.77994878 11.28523029
0.00020939 0.00055906 0.00012330
0.00213657 -0.00253943 0.00692769
2.71485264 -15.68263088 17.60266556
0.00058371 -0.00041953 0.00008402
0.00498057 -0.01987591 -0.01502452
3.27436798 -13.04603214 17.29074762
-0.00013543 -0.00060998 -0.00054406
0.00794536 0.02150146 -0.00867682
-4.24874895 -4.29821972 -13.66685274
-0.00089075 -0.00014937 -0.00019690
-0.00284378 -0.00638665 0.00394596
-2.04520136 -2.27752789 -13.38502546
-0.00054394 0.00004342 -0.00004757
0.02125712 -0.00063524 0.00793414
16.02114183 -7.31851932 -14.86206063
0.00007007 0.00027339 0.00056666
0.00610414 -0.00541253 0.00555917
17.19326877 -7.51665168 -12.05641741
0.00011234 0.00064693 0.00027877
0.01047440 -0.01328676 0.01250550
9.36075544 -4.33427761 5.17605973
-0.00118115 0.00053279 0.00093153
0.00070567 -0.00283458 -0.00599307
12.34039254 -4.52786661 5.82161482
-0.00040339 0.00095152 0.00056241
-0.03620675 0.00468653 -0.00017035
-21.10091067 -0.02034604 24.57345020
0.00095061 -0.00040824 0.00058078
0.01424888 -0.00271895 0.01029439
-20.15419641 2.59882732 25.31286409
0.00001668 0.00090524 -0.00061774
0.00725888 -0.00768740 0.00566903
24.59245824 -2.49649075 -7.08442776
0.00018033 0.00027220 0.00054470
0.00335879 0.01380734 -0.00168228
24.08350160 -0.64277884 -9.22881109
-0.00021961 -0.00009842 -0.00027023
-0.00109915 0.00790343 -0.02711163
12.44109427 -10.25270081 -9.71359894
-0.00065773 0.00055257 -0.00010855
0.00459670 0.00926425 0.00468665
12.46240679 -8.47591670 -12.08314896
-0.00008539 -0.00047385 0.00035825
0.00669432 0.00183414 -0.00142813
-9.33950314 -9.14745932 18.28418079
0.00052629 -0.00028283 0.00024161
0.01558006 0.00071602 0.01121815
-11.59502411 -9.60156837 16.77477442
0.00071546 0.00095904 0.00054217
0.03459055 -0.01347900 -0.00309497
8.38916682 0.28768942 -30.09623556
0.00043462 -0.00043025 0.00005607
0.01488495 0.00617533 0.00026312
5.68216209 0.68210906 -29.18762240
0.00010867 -0.00107495 -0.00025280
0.01171527 -0.00864561 0.01030156
12.50140163 19.52764148 12.47713563
0.00031342 -0.00003487 -0.00023052
-0.00005484 0.04076123 0.00204375
13.58257335 17.40728285 10.78192873
-0.00154229 0.00072892 -0.00015310
0.00525322 0.00609530 -0.00710035
27.71789733 7.71311308 -11.52858155
0.00046025 0.00003711 -0.00017535
0.02227079 0.00149907 -0.00927464
25.82874110 7.20858628 -9.33524031
-0.00067301 -0.00052451 0.00001520
0.00329948 0.00782303 -0.00382867
-7.07576558 4.56476509 6.67771428
0.00027042 -0.00010761 -0.00007977
-0.00342648 -0.00397040 -0.00613983
-8.90379878 8.71964946 3.87865867
0.00021895 -0.00011404 0.00001011
-0.00451232 -0.00903248 -0.00295359
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07896088
0.28574702
380.74358377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4484862819 (a.u.)
total exchange computation time: 3.0754599571 s
-154.2763741128
-931.36651453
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4472141028 (a.u.)
total exchange computation time: 3.0769190788 s
-154.2871304257
Anderson extrapolation: theta=1.3397299689 (1.3397299689)
-931.36680087
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4453985515 (a.u.)
total exchange computation time: 3.0756218433 s
-154.3021610392
Anderson extrapolation: theta=0.0503225317 (0.0503225317)
-931.36697060
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4452203951 (a.u.)
total exchange computation time: 3.0808241367 s
-154.3034801668
Anderson extrapolation: theta=1.8788758688 (1.8788758688)
-931.36697676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4448595090 (a.u.)
total exchange computation time: 3.0748250484 s
-154.3060959156
Anderson extrapolation: theta=0.2187564142 (0.2187564142)
-931.36698301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4447730226 (a.u.)
total exchange computation time: 3.0754079819 s
-154.3066701258
Anderson extrapolation: theta=1.8762744835 (1.8762744835)
-931.36698422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4446330413 (a.u.)
total exchange computation time: 3.0759050846 s
-154.3075328989
Anderson extrapolation: theta=0.2805666411 (0.2805666411)
-931.36698578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4446176841 (a.u.)
total exchange computation time: 3.0753839016 s
-154.3075580085
Anderson extrapolation: theta=1.2941374783 (1.2941374783)
-931.36698619
73.736187 23.415471 -294.651218
545.795140 1080.269591 -416.232050
619.531327 1103.685062 -710.883268
1451.652438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4446172896 (a.u.)
total exchange computation time: 3.0768499374 s
679.93675237
-1086.12999881
89.74539380
-387.47549477
-174.99902185
79.57625255
551.60419304
0.00000000
-931.36698655
3.59563773 -31.27664089 -3.83840780
-0.00035139 0.00029901 -0.00011612
0.00607314 0.02283107 -0.00651852
-11.17325621 2.20167815 -9.35332171
-0.00017204 -0.00025283 -0.00005457
-0.01734047 -0.02757533 0.01527161
-37.02642503 1.94750016 3.98146861
0.00035552 0.00022412 0.00009187
0.07403399 0.03519099 -0.01228050
-7.72017030 -3.63338740 2.94910033
0.00002384 -0.00003578 -0.00025197
-0.00356475 0.00063132 0.00185822
2.32585828 -0.02264153 9.68553480
0.00031302 0.00001732 -0.00004268
0.02065535 -0.03141524 -0.01312507
-31.28330065 1.40731831 3.49144718
-0.00000594 0.00002593 -0.00004036
0.01134135 -0.03490573 0.01030072
16.46558980 13.19462970 -17.69413553
0.00020958 -0.00025079 -0.00000210
0.02817845 0.06279730 0.02996165
-3.30293689 4.89553570 4.10458437
-0.00018087 -0.00010425 -0.00039400
0.00377074 -0.00082688 0.01571651
4.85177366 17.37424060 -6.63298744
0.00001218 -0.00015210 -0.00039064
-0.04215477 -0.01917173 0.02344820
8.29181132 7.39841570 -21.24087224
-0.00000705 0.00043688 -0.00027918
0.01124793 -0.00722736 0.01079419
19.87968402 18.81751949 -5.33387350
0.00049460 -0.00013847 0.00010945
0.01104086 -0.00232185 -0.02096687
2.04761771 14.67343305 -21.40947896
0.00004593 -0.00004774 0.00004406
-0.03547655 -0.01239468 -0.00457770
10.52857002 -5.53482695 0.05100599
0.00022277 0.00009579 -0.00005751
-0.00742184 -0.00510674 -0.00001021
-16.49027158 -5.56382801 4.80269289
0.00023345 -0.00009950 -0.00015593
0.01675833 -0.00272585 0.01030125
-14.21166898 -1.52654048 20.74662182
0.00011593 -0.00000059 0.00003314
0.00022902 -0.01470966 0.03991525
0.74531873 3.64938509 -4.81347489
-0.00056306 -0.00012943 -0.00005104
-0.00784488 0.01051544 0.02058043
20.86963315 -9.57043256 -4.24057073
-0.00030200 0.00005299 -0.00032397
-0.00128017 -0.00336811 -0.00561332
2.78639500 -10.85628536 6.74758197
-0.00010844 -0.00008399 0.00005057
-0.07138660 0.02906046 -0.01465364
-1.84598052 -1.81371410 -19.40932700
-0.00019855 -0.00013054 0.00015306
0.01870486 0.06327901 0.04488925
-0.58210580 5.20135139 -11.27559399
0.00010948 0.00045903 -0.00020162
-0.06215024 -0.01166304 -0.00192870
-4.87345160 15.49302699 13.64893015
0.00002780 0.00008836 0.00058484
-0.02911811 -0.03657893 -0.01930320
-4.97565599 3.10982556 -8.00967053
-0.00004466 0.00019244 -0.00044573
0.01033215 0.02343295 0.01846106
-8.59750108 0.06396001 -4.37886840
0.00029482 -0.00008402 0.00023694
-0.01110804 0.01516159 0.02441985
2.99424036 27.80614901 5.65908522
0.00017345 -0.00025269 -0.00020803
0.00897655 -0.03563976 0.04733641
8.66637083 -9.60336084 -2.09448744
-0.00025537 -0.00006302 -0.00002474
-0.01587940 -0.01733485 -0.00133536
-6.26104617 1.38062337 9.97560197
0.00016290 -0.00015289 0.00031428
-0.04815441 0.00823777 -0.00442569
19.77243961 9.55280595 5.96351343
0.00000093 -0.00011054 -0.00028631
0.00718638 0.00340886 -0.02034084
-3.41506984 0.59530124 -24.30243808
0.00009003 -0.00014419 0.00008284
0.07761417 0.00742135 0.05825061
-13.64044437 8.46173230 9.44499661
-0.00004265 0.00009343 -0.00008914
-0.00241497 -0.00600960 0.00728679
-13.75335577 5.75142176 -3.91603962
0.00030651 -0.00020498 -0.00012235
0.01010287 -0.04668582 -0.02925022
-3.78416026 -15.06826010 21.25264503
0.00005866 0.00007414 0.00025947
-0.01103816 -0.02021853 -0.01857014
-6.34829828 8.58844268 -6.48279786
-0.00019068 0.00023494 0.00033144
0.00994913 0.01410705 -0.00486627
-19.76443217 30.37548833 1.29383732
0.00018893 0.00032672 0.00018392
0.02779264 0.00292891 -0.00260526
10.28375458 3.66169627 8.11561040
-0.00007387 0.00036727 -0.00002772
0.00798578 0.05261947 0.02443492
7.41326851 16.52024418 -11.73170332
-0.00021643 0.00002936 0.00011022
-0.00950368 -0.02641338 0.02355612
14.04886885 4.46570848 -0.57490428
0.00009963 -0.00046199 0.00057155
0.03432778 -0.03472188 -0.02926338
-5.77958176 11.87401702 -1.28558696
-0.00049271 0.00009429 0.00010546
0.03115302 -0.00235826 -0.03998037
8.36934240 11.38423577 4.92482373
0.00019943 -0.00066619 -0.00002414
-0.02192837 0.04464459 0.00338983
19.87338240 -11.16595537 -10.58359569
0.00011054 -0.00007747 -0.00033256
-0.00007065 -0.03741721 0.03008490
19.24289184 -5.81806685 -0.17924071
0.00010608 0.00019646 0.00016229
0.00177682 0.02857110 -0.01751189
15.90813155 7.58808933 9.61821350
-0.00018693 -0.00017866 0.00004624
0.00661109 -0.01110616 0.00406589
3.81748833 -14.61891445 16.57616307
-0.00024330 -0.00001254 0.00006057
-0.00658979 -0.00215708 0.00811451
-3.70800777 -2.55428881 -13.97375713
-0.00029318 0.00001082 -0.00038860
-0.00771007 0.02712181 -0.01405951
16.27426562 -6.47483755 -13.19170612
0.00011907 0.00028951 0.00015139
-0.02982541 -0.00493746 -0.02966536
10.57388116 -4.46309569 6.52792839
0.00007722 -0.00025573 0.00024005
0.03190809 0.00051815 0.00636542
-19.55675181 0.85349745 25.15080513
-0.00027729 0.00009463 0.00023327
-0.02251129 0.01665390 -0.00872485
24.03180474 -0.74155727 -7.42954071
-0.00013152 0.00000981 0.00017085
-0.00211117 -0.01693869 0.01594067
11.51728364 -9.73740401 -11.19744798
0.00014532 0.00006503 0.00015693
-0.01509982 -0.01331434 0.00078448
-9.72460159 -9.94520103 16.71389999
-0.00016595 0.00005830 0.00029260
-0.03963775 0.01130445 -0.01047948
7.35671645 0.10031561 -28.60579960
-0.00012611 -0.00036724 -0.00011905
-0.02417155 0.00457488 -0.00322957
12.58837071 17.79126601 12.25782683
0.00006526 0.00000252 0.00003361
-0.00442038 -0.03721901 0.01251700
25.96895805 7.48324102 -11.16341704
0.00011944 0.00027221 -0.00003679
-0.02168441 -0.00223373 0.01651652
3.83993943 -29.71424252 -4.90934342
0.00090504 0.00042256 0.00005762
0.00224799 -0.01841911 0.00983682
3.33585273 -30.57670577 -2.10920640
-0.00024350 0.00108952 0.00051122
-0.00034731 -0.00183750 -0.00087860
-9.67116723 3.02126256 -8.87127089
0.00096597 -0.00036832 -0.00005699
0.01975056 0.01119239 0.00763587
-11.59828074 2.67090332 -11.04368053
-0.00028889 0.00049015 -0.00029099
-0.00268516 0.01141283 -0.02475400
-36.77650918 3.51576038 2.97549556
0.00026405 0.00011745 -0.00024550
-0.01205716 -0.01803191 0.01485054
-38.72793969 1.55236682 3.90075525
0.00045174 0.00012756 0.00081483
-0.05104302 -0.01299550 -0.00503527
-9.14563612 -4.22448989 1.89501994
-0.00036576 -0.00159625 0.00063193
0.00653769 -0.00671511 -0.00232156
-6.28982754 -4.73176515 2.62161300
-0.00017329 -0.00039123 -0.00014681
-0.00778096 -0.00031023 -0.00033856
3.48750641 -1.33886340 8.94564217
-0.00051154 0.00055171 -0.00033716
-0.02367148 0.02926109 0.00877598
1.68607895 0.97722958 8.29289497
-0.00086563 -0.00008067 -0.00063287
0.00439223 -0.00083830 0.00037095
-30.81887213 -0.43461430 3.82192140
0.00002246 0.00036460 -0.00026066
-0.00268254 0.03169513 -0.01300964
-33.10874791 1.36568786 3.49236845
-0.00068329 -0.00094262 0.00113182
-0.00351493 0.00070979 0.00130479
15.51251141 12.05554763 -18.59769280
-0.00021708 0.00121461 0.00032360
-0.03440507 -0.03747799 -0.02508595
17.98389800 12.30268622 -17.26644414
0.00000065 0.00007836 -0.00005482
0.00737560 -0.01175056 -0.00021697
-2.68981334 6.40774526 4.98833297
0.00065053 -0.00113927 -0.00091192
0.00064832 -0.00664954 0.00368716
-3.73382552 5.70109576 2.55731969
0.00029685 0.00043133 -0.00110203
-0.00305752 0.00122932 -0.02178875
5.85536879 17.02810343 -8.04993642
-0.00011932 0.00125785 0.00023949
0.02473395 -0.00166800 -0.03412956
5.59750246 18.64941548 -5.63338857
-0.00003163 0.00009965 0.00116374
0.02020649 0.01518088 0.00712534
9.04855234 6.41329873 -22.57112392
0.00015047 0.00011418 0.00037147
-0.01164433 -0.00075735 -0.01712309
9.69267403 7.48076171 -20.02364749
0.00042789 0.00063866 0.00044589
-0.00782530 0.01221795 0.00345912
19.68073996 20.28489747 -4.32300508
0.00001885 0.00100125 -0.00058327
-0.01699363 0.01860903 0.03016665
21.03126048 19.68652756 -6.48481779
0.00119100 0.00033573 -0.00014988
0.00239072 -0.01269251 -0.00723588
1.75115826 12.98659641 -20.68324519
-0.00100237 0.00012977 0.00064412
0.00787220 0.01489347 -0.00101863
0.25826275 15.17302711 -21.92996183
-0.00031046 -0.00091089 0.00024675
0.02501179 -0.00064050 0.00849989
9.75087496 -7.16474615 -0.48713669
-0.00040811 -0.00059876 -0.00029772
0.00795337 0.01679658 0.00339453
9.24194626 -4.26092419 -0.35840707
-0.00032671 0.00046626 -0.00007679
0.00928382 -0.00306774 0.00162718
-17.08743079 -6.52408827 6.20715917
-0.00030675 0.00006176 -0.00039378
0.00239673 -0.00386728 0.01765695
-18.01495320 -5.32893954 3.92140312
-0.00028396 0.00005383 0.00003569
-0.02046145 0.00453692 -0.02655460
-14.26028651 -0.94682482 19.10882280
0.00004082 0.00026312 -0.00021256
0.00226768 0.01514922 -0.05862322
-15.08767330 -0.22837862 21.62291453
-0.00048028 0.00047911 -0.00038777
-0.00802311 0.00653593 0.01808162
-0.16596656 2.96267714 -3.35729166
0.00032935 0.00042654 -0.00022739
0.00405726 -0.00150568 -0.01749450
1.05552201 2.30334735 -5.99844696
0.00073324 0.00039522 0.00016109
-0.00131330 -0.01024258 0.00484588
20.02426740 -9.06795069 -5.81979388
0.00060991 0.00012791 -0.00026310
0.02354603 0.00009195 0.01475684
22.78204431 -9.34045140 -4.17445355
-0.00127562 0.00060741 -0.00049814
-0.03138842 -0.00085567 -0.01638918
4.44455139 -11.19272261 6.60131372
0.00023006 0.00015060 -0.00033539
0.08203891 -0.01845019 -0.01986113
2.48186911 -11.38997869 8.40087462
-0.00029480 0.00088179 -0.00022107
-0.01017416 -0.00891685 0.03750809
-2.59773109 -3.06095264 -20.34316535
0.00027414 -0.00020474 0.00074972
-0.02712310 -0.05088304 -0.02720883
-2.82660942 -1.45812048 -17.86180997
-0.00073050 -0.00061390 -0.00011778
0.00902493 -0.01031731 -0.01770275
1.08907317 5.71843858 -11.46970678
-0.00071691 -0.00032850 0.00028152
0.04086294 0.00443061 0.01315668
-1.03652330 4.34196887 -9.71143341
-0.00044252 0.00001934 0.00079794
0.01063459 0.00777270 -0.00685648
-4.16537564 16.71803890 14.65262262
-0.00000878 0.00049261 -0.00066124
0.03468330 0.04026479 0.03731941
-6.61720091 16.07820501 13.64184854
0.00019033 0.00013341 -0.00071491
-0.00230538 -0.00639995 -0.00112895
-5.34844868 2.11094201 -6.56604145
0.00048108 -0.00008532 -0.00021320
-0.00295650 -0.00798787 0.01173111
-5.42017970 2.10881053 -9.45733638
0.00078643 -0.00020561 0.00002972
-0.00532699 -0.00439902 -0.01602655
-9.29197629 -1.64300476 -4.42104172
-0.00001463 -0.00078833 -0.00008622
0.00001354 0.01457798 0.00850556
-9.48175811 1.11714203 -3.03789188
-0.00061187 -0.00070195 0.00077110
0.01598947 -0.02757308 -0.02857235
2.43405222 29.00522417 4.51035872
-0.00009272 -0.00041322 0.00093772
-0.01552272 0.03288200 -0.02759140
2.29204478 28.18959422 7.33313142
-0.00101119 -0.00039869 -0.00056741
0.00880841 -0.00071509 -0.02226823
7.06831997 -9.92240686 -3.04055969
0.00005634 0.00127696 0.00116773
0.01369452 0.00308414 0.02035396
8.97617335 -10.99656700 -0.89570923
0.00033233 -0.00000358 -0.00058507
-0.00991955 0.00406229 -0.01386047
-5.48761446 -0.18324026 9.59301345
0.00065164 0.00061758 -0.00052858
0.03195800 -0.03165415 -0.01690543
-8.03556110 0.81058558 9.94231192
0.00014217 0.00079657 -0.00011603
0.01070538 0.01539235 0.00354243
19.20935914 9.66420732 7.64991186
-0.00075814 0.00038446 -0.00060635
-0.01334942 -0.00264393 0.02853897
21.47253731 10.16506823 6.03972736
0.00163275 -0.00011764 -0.00013047
0.01615201 0.00298069 -0.00406291
-2.99907012 0.61408350 -22.37281609
-0.00068701 0.00030753 0.00004259
-0.01617692 -0.00636274 -0.05245178
-5.12752372 0.45802873 -24.51605230
-0.00044872 -0.00064149 -0.00070754
-0.06176045 -0.00363230 -0.00356755
-12.82169613 9.54605808 10.66252384
-0.00010140 0.00002590 0.00000874
0.00578488 0.00049963 -0.00034055
-13.60508936 9.52951523 7.96078325
-0.00081707 0.00004357 -0.00071960
-0.00289216 0.00562837 -0.01553154
-13.73347204 4.12463129 -4.93386802
0.00035810 0.00038869 0.00045163
0.00629138 0.02826172 0.02512529
-14.99467266 6.64166919 -4.90189917
-0.00041256 -0.00044065 0.00066634
-0.01165657 0.01165805 0.00458464
-5.39342549 -16.09262258 21.08961584
-0.00022763 0.00031392 -0.00076025
0.01499925 0.01164522 0.00595141
-2.98642368 -15.35833830 19.60592126
0.00012646 0.00040867 -0.00007152
-0.00470880 0.00596803 0.01235368
-6.53125867 6.81038178 -6.59201122
-0.00007933 -0.00016011 -0.00003339
-0.00116703 -0.01841743 0.00047981
-7.71228046 9.28354197 -5.48024857
-0.00107750 -0.00059590 -0.00088550
-0.00322625 0.00136338 -0.00400918
-20.92494228 30.97658907 0.03443667
-0.00087623 -0.00029701 0.00025833
0.00510356 -0.00162121 -0.00436702
-17.95253694 30.50136648 0.74660212
-0.00061451 -0.00085838 -0.00066683
-0.03169057 -0.00125278 0.00467945
9.07470334 3.09832929 6.92671368
-0.00115448 -0.00040671 -0.00033936
-0.01986583 -0.01423777 -0.02015930
9.75431602 5.51393189 8.44547926
-0.00024026 -0.00039552 0.00021402
0.01076322 -0.03524159 -0.00328146
8.48730127 17.83470593 -12.31240987
-0.00003243 -0.00043285 0.00028477
0.01239986 0.00897684 -0.01113971
8.63530798 15.17099983 -11.31301134
-0.00010255 0.00013727 -0.00049322
-0.01145210 0.01249574 -0.00512848
12.85123981 5.61168523 -0.00945045
0.00002832 0.00084490 -0.00024623
-0.02163053 0.02666120 0.02105753
14.39137698 3.24713395 0.76741970
-0.00018089 -0.00012856 -0.00031137
-0.01257233 0.00492482 0.00596261
-4.57351829 11.72011128 -2.80313837
0.00035815 0.00004948 -0.00038823
-0.02415776 0.01365927 0.03203207
-5.36831667 10.19412203 -0.65593688
0.00062661 -0.00055667 -0.00130667
-0.00455847 -0.00158675 0.00841141
7.73725474 13.21534841 4.74795889
-0.00031263 -0.00016802 -0.00007414
0.02252935 -0.04175914 0.00102317
10.17845510 11.33068435 4.55139466
0.00068232 -0.00042415 -0.00001497
-0.00352567 0.00058489 -0.00074642
18.85033648 -11.06321480 -8.96868100
0.00088398 0.00088194 0.00022970
0.01969562 -0.00488112 -0.03335073
20.66048239 -12.93615971 -10.53312622
-0.00040771 0.00053155 0.00059728
-0.01854935 0.03664588 0.00190983
18.95638038 -4.90742523 -1.80573776
0.00058642 0.00047507 0.00001981
0.00784878 -0.02106185 0.01916806
18.24055634 -7.33821700 -0.24472580
0.00038846 0.00019838 0.00037224
-0.01043468 -0.01508135 -0.00445343
15.01012866 9.10415850 9.33314367
-0.00087585 -0.00028881 -0.00012853
-0.01334623 0.01621690 -0.00616207
16.59448804 7.78825685 11.28729209
0.00021613 0.00054835 0.00014678
0.00116006 -0.00270390 0.00456523
2.72376085 -15.68953288 17.60346550
0.00060168 -0.00050139 0.00002467
0.00381762 -0.02019504 -0.01402793
3.27258004 -13.05452298 17.28232081
-0.00010713 -0.00051135 -0.00057424
0.00590660 0.02678087 -0.00609625
-4.26219735 -4.30065592 -13.66968530
-0.00090079 -0.00017170 -0.00018109
-0.00207232 -0.00454394 0.00379268
-2.05270908 -2.27689612 -13.38549588
-0.00045600 0.00004040 -0.00001470
0.02178922 -0.00084320 0.00815550
16.02237997 -7.31458429 -14.85339032
0.00009471 0.00024953 0.00058587
0.00595461 -0.00626883 0.00384294
17.19527484 -7.50735495 -12.05185266
0.00015601 0.00059155 0.00033099
0.01090109 -0.01381938 0.01305544
9.34305977 -4.32637268 5.18984907
-0.00117275 0.00052069 0.00091079
0.00340572 -0.00308695 -0.00416181
12.33323218 -4.51345023 5.83004576
-0.00054493 0.00096975 0.00055746
-0.03307884 0.00423661 -0.00225447
-21.08621483 -0.02655302 24.58247740
0.00099795 -0.00042294 0.00061909
0.00892138 -0.00447464 0.00845498
-20.15372381 2.61217039 25.30377172
0.00004756 0.00086491 -0.00059534
0.00785993 -0.01205702 0.00529317
24.59526606 -2.49198462 -7.07630886
0.00019443 0.00032720 0.00053710
0.00354463 0.01311443 -0.00203539
24.08017370 -0.64401299 -9.23369528
-0.00022401 -0.00006715 -0.00037325
-0.00105485 0.00740268 -0.02332012
12.43136922 -10.24412831 -9.71508360
-0.00063298 0.00058689 -0.00007961
0.00751515 0.00753457 0.00948050
12.46133113 -8.48296831 -12.07781898
-0.00005308 -0.00045956 0.00034753
0.00911783 0.00516172 -0.00381801
-9.33113136 -9.15167985 18.28814868
0.00059089 -0.00028015 0.00028773
0.01603978 0.00059446 0.01136091
-11.58323227 -9.58759580 16.78281214
0.00084726 0.00090477 0.00052912
0.02992475 -0.01308812 -0.00329432
8.39614217 0.28142492 -30.09538643
0.00049343 -0.00040485 0.00005921
0.01390570 0.00625628 0.00127384
5.68415119 0.66571982 -29.19109877
0.00015201 -0.00110802 -0.00021293
0.00949703 -0.00754099 0.00921605
12.50610118 19.52836744 12.47374046
0.00031241 0.00013198 -0.00022122
-0.00043740 0.04091290 0.00250724
13.55960004 17.41840345 10.77941466
-0.00151400 0.00074980 -0.00019291
0.00859428 0.00412297 -0.01238868
27.72548347 7.71371560 -11.53149596
0.00054551 0.00004244 -0.00021047
0.01946549 0.00111200 -0.00791967
25.81874710 7.20095842 -9.33512956
-0.00065731 -0.00049146 -0.00000411
0.00438554 0.00835215 -0.00562818
-7.07171850 4.56314029 6.67650118
0.00026919 -0.00010901 -0.00008198
-0.00343345 -0.00385494 -0.00619759
-8.90052232 8.71792319 3.87880523
0.00021787 -0.00011613 0.00000943
-0.00480069 -0.00900323 -0.00296895
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07895119
0.28803536
383.79267897
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4452116701 (a.u.)
total exchange computation time: 3.0877590179 s
-154.2558276064
-931.37078940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4439559009 (a.u.)
total exchange computation time: 3.0896039009 s
-154.2664377188
Anderson extrapolation: theta=1.3415352075 (1.3415352075)
-931.37107731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4421556785 (a.u.)
total exchange computation time: 3.0873150826 s
-154.2812912332
Anderson extrapolation: theta=0.0512976440 (0.0512976440)
-931.37124848
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4419727754 (a.u.)
total exchange computation time: 3.0883769989 s
-154.2826173066
Anderson extrapolation: theta=1.9063363079 (1.9063363079)
-931.37125489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.700 s
total exchange = -52.4415962551 (a.u.)
total exchange computation time: 3.0875887871 s
-154.2852815572
Anderson extrapolation: theta=0.2236869226 (0.2236869226)
-931.37126157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4415036577 (a.u.)
total exchange computation time: 3.0866100788 s
-154.2858763138
Anderson extrapolation: theta=1.8657243787 (1.8657243787)
-931.37126288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4413535705 (a.u.)
total exchange computation time: 3.0894269943 s
-154.2867659769
Anderson extrapolation: theta=0.2795847476 (0.2795847476)
-931.37126455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4413360420 (a.u.)
total exchange computation time: 3.0905640125 s
-154.2867928807
Anderson extrapolation: theta=1.2892474659 (1.2892474659)
-931.37126497
73.746525 23.415803 -294.692791
545.738291 1080.322194 -416.243411
619.484816 1103.737996 -710.936202
1451.698758
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1665548945
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.4413334266 (a.u.)
total exchange computation time: 3.0877637863 s
679.88056889
-1086.00876282
89.74882736
-387.56036694
-174.99019838
79.50851385
551.60419304
0.00000000
-931.37126532
3.59039036 -31.27206762 -3.84017482
-0.00034817 0.00031152 -0.00011835
0.00643426 0.02581435 -0.00214260
-11.17590367 2.19777934 -9.35408132
-0.00017932 -0.00026578 -0.00004700
-0.01099202 -0.02277862 0.01416836
-37.02080665 1.95099773 3.98279924
0.00039349 0.00024217 0.00008552
0.07363154 0.03497644 -0.01241711
-7.71982648 -3.63392173 2.94532795
0.00002170 -0.00003582 -0.00025129
-0.00473319 -0.00078501 0.00078161
2.33063328 -0.02250288 9.68484404
0.00032227 0.00000292 -0.00005023
0.01529229 -0.02457307 -0.01624056
-31.28334595 1.40757269 3.49088156
-0.00000172 0.00000824 -0.00003503
0.00506634 -0.03389236 0.01041687
16.46884223 13.19111013 -17.69405142
0.00022463 -0.00021674 0.00001432
0.03032836 0.06958864 0.03386790
-3.30563545 4.89396877 4.09873496
-0.00017970 -0.00010510 -0.00038806
0.00079952 -0.00248250 0.00737838
4.85179381 17.37188515 -6.63875655
-0.00000954 -0.00015988 -0.00037569
-0.04233721 -0.01106523 0.03468281
8.29174897 7.40494107 -21.24501836
-0.00000048 0.00043345 -0.00027244
0.01430345 -0.00610481 0.01543775
19.88714567 18.81543343 -5.33231264
0.00050094 -0.00013787 0.00009859
0.01358365 0.00465823 -0.02125307
2.04816988 14.67266907 -21.40883574
0.00002729 -0.00005461 0.00004198
-0.03700856 -0.01431611 -0.00352156
10.53188293 -5.53340985 0.05014333
0.00021769 0.00009271 -0.00005810
-0.01231068 -0.00686275 -0.00229405
-16.48670516 -5.56533106 4.80039373
0.00024113 -0.00010074 -0.00015122
0.01311672 -0.00210532 0.00798761
-14.20992909 -1.52660602 20.74727284
0.00011545 -0.00000694 0.00005301
-0.00209802 -0.00998671 0.03736996
0.73684263 3.64748422 -4.81416117
-0.00056634 -0.00012283 -0.00004132
-0.00492534 0.01512544 0.01722631
20.86509814 -9.56965072 -4.24545188
-0.00030335 0.00005097 -0.00032642
-0.00395298 -0.00449800 -0.00391708
2.78449311 -10.85743317 6.74828406
-0.00014355 -0.00006904 0.00004178
-0.06515397 0.02908455 -0.01954327
-1.84888658 -1.81542808 -19.40685789
-0.00018866 -0.00009745 0.00017654
0.01972892 0.06539984 0.04640077
-0.58070338 5.20819180 -11.27862579
0.00007468 0.00045132 -0.00020053
-0.07316363 -0.01830886 0.00616816
-4.87314696 15.49421122 13.65762824
0.00001272 0.00006876 0.00057437
-0.02950980 -0.03962883 -0.02139797
-4.97628603 3.11280247 -8.01628522
-0.00003932 0.00020450 -0.00043517
0.01042430 0.02349660 0.02258551
-8.59312165 0.06275824 -4.37522015
0.00028820 -0.00007733 0.00024988
-0.01462027 0.01085275 0.02590694
2.99687680 27.80222118 5.65614737
0.00017836 -0.00027193 -0.00018254
0.01010826 -0.03916910 0.05178421
8.66247896 -9.60437306 -2.09486366
-0.00026195 -0.00007102 -0.00002480
-0.00968277 -0.01377369 0.00107920
-6.25878837 1.37836181 9.98029916
0.00013850 -0.00014792 0.00031206
-0.04674871 0.01109566 -0.00420555
19.77248123 9.55116094 5.95914031
0.00000750 -0.00010784 -0.00029679
0.01837288 0.00711981 -0.02041393
-3.41341999 0.59316706 -24.30097078
0.00012757 -0.00014040 0.00011218
0.06835684 0.00730179 0.05584415
-13.64109345 8.46311061 9.44368765
-0.00004397 0.00009073 -0.00008606
-0.00271363 -0.00451621 0.00468089
-13.74871922 5.74816697 -3.91798772
0.00031166 -0.00022794 -0.00013665
0.00994915 -0.04258133 -0.02636606
-3.78332298 -15.06722601 21.25646545
0.00005292 0.00006363 0.00024934
-0.01128348 -0.02063410 -0.02083382
-6.35112013 8.59202126 -6.47784499
-0.00018529 0.00024088 0.00032866
0.01099929 0.00897661 -0.00594265
-19.76149103 30.38040041 1.29658613
0.00020156 0.00032835 0.00018231
0.02133503 0.00343012 -0.00366425
10.28267734 3.66740826 8.11528884
-0.00007134 0.00039255 -0.00001698
0.00186592 0.04570046 0.01731884
7.40998536 16.52058273 -11.72995911
-0.00022161 0.00001565 0.00012235
-0.01064326 -0.02691756 0.02360302
14.05049576 4.45864472 -0.56644390
0.00011579 -0.00047745 0.00055556
0.02851242 -0.02538539 -0.03292485
-5.78685225 11.87542232 -1.28415923
-0.00047570 0.00009227 0.00008426
0.03500952 -0.00550051 -0.04246569
8.37224920 11.37441520 4.92447472
0.00018857 -0.00064266 -0.00002256
-0.02026685 0.04684483 0.00275272
19.87504018 -11.16726181 -10.58846801
0.00011002 -0.00009571 -0.00031678
-0.00192806 -0.03351224 0.03126942
19.24448988 -5.81500974 -0.17687391
0.00010721 0.00021133 0.00015324
0.00262822 0.02925703 -0.01768308
15.90535308 7.58536656 9.61892279
-0.00018362 -0.00018367 0.00004882
0.00626031 -0.00836737 0.00596441
3.81381342 -14.61911080 16.57710289
-0.00024589 -0.00001486 0.00006393
-0.00350108 -0.00688027 0.00495693
-3.71243523 -2.55402183 -13.97964036
-0.00029720 0.00002445 -0.00039579
-0.00793498 0.02586178 -0.01389401
16.27593659 -6.47051395 -13.18954973
0.00010381 0.00028712 0.00013662
-0.02952633 -0.00434074 -0.02776712
10.57516253 -4.46692971 6.53155374
0.00009188 -0.00025533 0.00024342
0.02508905 0.00105253 0.00674096
-19.56099801 0.85498112 25.15427050
-0.00028740 0.00010476 0.00022939
-0.01680900 0.02272366 -0.00636637
24.02982372 -0.74147547 -7.42691644
-0.00013265 0.00000148 0.00017789
-0.00225897 -0.01545949 0.01143861
11.51940522 -9.73647987 -11.19509102
0.00013627 0.00005782 0.00015669
-0.02009935 -0.01472515 -0.00172176
-9.72724371 -9.94428288 16.71824858
-0.00018497 0.00006402 0.00028730
-0.03433638 0.01090777 -0.01011778
7.35473160 0.09482466 -28.60759787
-0.00013753 -0.00036518 -0.00012069
-0.02023470 0.00341785 -0.00313386
12.58933263 17.79116024 12.25837922
0.00006222 -0.00001570 0.00004133
-0.00740762 -0.03362091 0.01751273
25.97066608 7.48731555 -11.16390517
0.00010893 0.00027106 -0.00002827
-0.01920977 -0.00222370 0.01663143
3.85358393 -29.70846857 -4.90817762
0.00091280 0.00034545 0.00009769
0.00154962 -0.01932439 0.00977727
3.33218960 -30.56041928 -2.10156509
-0.00024445 0.00107695 0.00049868
-0.00012005 -0.00431782 -0.00525922
-9.65607243 3.01608071 -8.87189170
0.00103205 -0.00033064 -0.00003048
0.01259595 0.00725460 0.00533756
-11.60269632 2.67860530 -11.04880388
-0.00029802 0.00053469 -0.00038528
-0.00178478 0.01038879 -0.02140090
-36.77291797 3.51696952 2.97226817
0.00021466 0.00004372 -0.00018454
-0.01211895 -0.01805710 0.01498985
-38.72272766 1.55388206 3.91282335
0.00024338 0.00007482 0.00079442
-0.05095148 -0.01282341 -0.00495275
-9.15092222 -4.24863947 1.90442768
-0.00033730 -0.00162099 0.00062385
0.00739247 -0.00539293 -0.00163304
-6.29266535 -4.73764310 2.61940043
-0.00020473 -0.00039173 -0.00014749
-0.00760740 0.00006403 0.00000654
3.47910790 -1.32969105 8.94085364
-0.00060155 0.00066365 -0.00030445
-0.02038679 0.02553261 0.00723963
1.67322903 0.97599377 8.28341324
-0.00084358 -0.00009044 -0.00062150
0.00640539 -0.00394273 0.00519663
-30.81861749 -0.42817401 3.81761278
0.00001397 0.00048946 -0.00031308
-0.00147139 0.02942353 -0.01264672
-33.11910492 1.35157030 3.50938576
-0.00068697 -0.00093831 0.00113652
0.00171036 0.00140160 0.00099621
15.50820094 12.07261841 -18.59360758
-0.00036537 0.00105123 0.00021275
-0.03818303 -0.04250235 -0.02917507
17.98413376 12.30350150 -17.26727301
0.00003431 0.00002658 -0.00005552
0.00910326 -0.01359506 -0.00013011
-2.68003557 6.39045252 4.97476719
0.00065624 -0.00115732 -0.00089100
0.00214943 -0.00219020 0.00655011
-3.72946639 5.70760342 2.54012162
0.00028722 0.00043055 -0.00117967
-0.00165628 -0.00161079 -0.01621685
5.85433685 17.04692005 -8.04738990
-0.00000960 0.00124850 0.00008856
0.02897477 -0.00290846 -0.03975390
5.59764716 18.65137541 -5.61571413
0.00004284 0.00014776 0.00118193
0.01624771 0.00836883 0.00177815
9.05045260 6.41498830 -22.56607658
0.00010457 0.00010917 0.00029914
-0.01082251 -0.00169917 -0.01828249
9.69885264 7.49071602 -20.01685316
0.00038840 0.00068787 0.00045295
-0.01150671 0.01186884 -0.00000113
19.68050195 20.30048646 -4.33082970
-0.00004940 0.00106804 -0.00046600
-0.01641383 0.01408737 0.02723592
21.04919870 19.69117461 -6.48728775
0.00119418 0.00027867 -0.00017238
-0.00083219 -0.01524111 -0.00377540
1.73636401 12.98899929 -20.67361457
-0.00096694 0.00019194 0.00063895
0.00947076 0.01554166 -0.00151455
0.25437231 15.15934415 -21.92600004
-0.00020812 -0.00091015 0.00028014
0.02508431 0.00100214 0.00784354
9.74499700 -7.17321286 -0.49149854
-0.00037157 -0.00052158 -0.00028124
0.00993449 0.02098590 0.00467265
9.23733012 -4.25402435 -0.35950908
-0.00028274 0.00044801 -0.00006819
0.01223702 -0.00586240 0.00258521
-17.09195859 -6.52328030 6.20179353
-0.00029650 0.00004502 -0.00031991
0.00261851 -0.00432845 0.01850086
-18.01983958 -5.32799304 3.92112470
-0.00036047 0.00007196 -0.00006977
-0.01699022 0.00433470 -0.02506518
-14.25960471 -0.94241376 19.10383798
0.00005078 0.00032151 -0.00044401
0.00260775 0.01343190 -0.05467279
-15.09512331 -0.22099176 21.61765212
-0.00050923 0.00049984 -0.00031711
-0.00614771 0.00361526 0.01650617
-0.16090203 2.96902904 -3.36123854
0.00034015 0.00041477 -0.00029012
0.00122871 -0.00425166 -0.01321476
1.06648037 2.30896182 -5.99588215
0.00072804 0.00034953 0.00017900
-0.00123033 -0.01212570 0.00392291
20.03413753 -9.06602920 -5.82328813
0.00070131 0.00013015 -0.00020776
0.02119776 0.00100318 0.01233170
22.76194816 -9.33136642 -4.18242782
-0.00139366 0.00060442 -0.00056312
-0.02639045 -0.00061140 -0.01541983
4.45051625 -11.19102895 6.59567423
0.00055246 0.00007731 -0.00041448
0.07577696 -0.01742848 -0.01885260
2.47713533 -11.37702513 8.39870796
-0.00033646 0.00084302 -0.00005985
-0.01021760 -0.01005897 0.04141056
-2.59445019 -3.06558288 -20.33275325
0.00016121 -0.00041792 0.00063406
-0.02815596 -0.05347204 -0.02940785
-2.83729036 -1.46764515 -17.86411921
-0.00069329 -0.00065489 -0.00018849
0.00918730 -0.00974650 -0.01690724
1.07957168 5.71364686 -11.46508083
-0.00053129 -0.00030475 0.00033307
0.04999884 0.00719329 0.01207946
-1.04283519 4.34249712 -9.69967447
-0.00039546 0.00005876 0.00075544
0.01240262 0.01152676 -0.01394347
-4.16444450 16.72666191 14.64384765
0.00013514 0.00066239 -0.00050567
0.03576697 0.04284475 0.03883368
-6.61441666 16.08001011 13.63109034
0.00017942 0.00010817 -0.00071869
-0.00303410 -0.00595649 -0.00072366
-5.34132305 2.10941741 -6.56887990
0.00047021 -0.00011509 -0.00016860
-0.00236369 -0.00658451 0.01009755
-5.40854651 2.10559161 -9.45738164
0.00076332 -0.00022617 -0.00003999
-0.00598622 -0.00566870 -0.01809725
-9.29219537 -1.65438299 -4.42207445
-0.00000999 -0.00071926 -0.00005159
0.00225990 0.01923001 0.00844993
-9.49044627 1.10576790 -3.02720085
-0.00054377 -0.00081548 0.00065144
0.01734996 -0.02799965 -0.03000271
2.43218583 29.00003352 4.52357910
-0.00015965 -0.00026990 0.00081475
-0.01723999 0.03727204 -0.03260625
2.27714680 28.18359196 7.32393789
-0.00097383 -0.00040315 -0.00065703
0.00947895 -0.00146644 -0.02160211
7.06958477 -9.90315797 -3.02242000
0.00010003 0.00128578 0.00124335
0.00769004 0.00123153 0.01665969
8.98085430 -10.99649615 -0.90490999
0.00029157 0.00000963 -0.00063889
-0.01003363 0.00240391 -0.01248743
-5.47686050 -0.17494661 9.58456671
0.00078125 0.00048500 -0.00059870
0.03148358 -0.03324208 -0.01741651
-8.03310056 0.82300582 9.94068006
0.00018349 0.00085627 -0.00010158
0.00952379 0.01382972 0.00353128
19.19757801 9.66989326 7.64169112
-0.00081091 0.00037394 -0.00049048
-0.01248150 -0.00250764 0.02817883
21.49752348 10.16339501 6.03764587
0.00167467 -0.00011345 -0.00014636
0.00436786 -0.00093110 -0.00371713
-3.00987100 0.61850154 -22.37378446
-0.00075173 0.00028088 -0.00016907
-0.01550562 -0.00668600 -0.05115895
-5.13614712 0.44829507 -24.52677475
-0.00068400 -0.00065530 -0.00072029
-0.05340674 -0.00312695 -0.00267350
-12.82303993 9.54646184 10.66264457
-0.00007807 0.00002847 0.00000600
0.00563566 0.00075894 -0.00100473
-13.61743398 9.53034129 7.94951329
-0.00082805 0.00006312 -0.00077629
-0.00248196 0.00393815 -0.01221979
-13.72790773 4.13132773 -4.92632364
0.00038402 0.00049595 0.00054851
0.00639713 0.02424078 0.02229873
-15.00121828 6.63541666 -4.89176365
-0.00046025 -0.00039277 0.00068453
-0.01168804 0.01177795 0.00432360
-5.39638031 -16.08755697 21.07839443
-0.00016531 0.00036154 -0.00073417
0.01550538 0.01166464 0.00681805
-2.98467103 -15.35202533 19.60522705
0.00010644 0.00043358 -0.00001808
-0.00509190 0.00622338 0.01380565
-6.53248443 6.80741576 -6.59249731
-0.00008290 -0.00022771 -0.00003168
-0.00058033 -0.01467119 0.00035324
-7.72854179 9.27464532 -5.49365392
-0.00109390 -0.00058756 -0.00089903
-0.00480376 0.00271710 -0.00261466
-20.93792936 30.97208431 0.03817776
-0.00085008 -0.00030603 0.00024496
0.00769667 -0.00279719 -0.00217830
-17.96272568 30.48845234 0.73674302
-0.00073633 -0.00086192 -0.00065003
-0.02794139 -0.00047680 0.00354444
9.05677741 3.09179235 6.92100553
-0.00122127 -0.00045757 -0.00040773
-0.01283139 -0.01065974 -0.01330854
9.75104197 5.50691911 8.44858903
-0.00019795 -0.00053283 0.00020088
0.00994610 -0.03197083 -0.00315184
8.48719472 17.82848825 -12.30847963
0.00001997 -0.00039201 0.00023765
0.01325136 0.01101555 -0.01192706
8.63341878 15.17344176 -11.32056682
-0.00014879 0.00018552 -0.00051280
-0.01118039 0.01112324 -0.00445369
12.85100179 5.62517564 -0.01249858
-0.00004938 0.00094312 -0.00016400
-0.01640237 0.02142017 0.01919410
14.38827834 3.24535641 0.76293183
-0.00023076 -0.00011578 -0.00027655
-0.01183744 0.00133044 0.01108103
-4.56888631 11.72127202 -2.80798029
0.00025411 0.00010793 -0.00025271
-0.02677194 0.01495337 0.03430669
-5.35905728 10.18572336 -0.67527913
0.00060567 -0.00055923 -0.00127162
-0.00569103 0.00033528 0.00874433
7.73325564 13.21154851 4.74687816
-0.00021829 -0.00034335 -0.00006961
0.02365268 -0.04406638 0.00119286
10.18858185 11.32434006 4.55114729
0.00066197 -0.00042157 -0.00001674
-0.00643710 0.00067488 -0.00012399
18.86419972 -11.05013533 -8.96625752
0.00096377 0.00086223 0.00009239
0.01936326 -0.00476511 -0.03385997
20.65379838 -12.92706348 -10.52410845
-0.00047913 0.00067351 0.00060357
-0.01641477 0.03284405 0.00116809
18.96541717 -4.90094457 -1.80485321
0.00061801 0.00038776 0.00009922
0.00761603 -0.02167933 0.01970320
18.24606350 -7.33570342 -0.23927869
0.00034447 0.00013605 0.00035302
-0.01109911 -0.01543104 -0.00495535
14.99658197 9.10032334 9.33102687
-0.00092752 -0.00022763 -0.00015263
-0.01194592 0.01373053 -0.00563510
16.59776549 7.79639920 11.28963367
0.00021870 0.00053693 0.00016042
0.00010068 -0.00288273 0.00211131
2.73290303 -15.69767255 17.60340572
0.00061488 -0.00058416 -0.00003054
0.00264358 -0.02032039 -0.01299860
3.27115410 -13.06137254 17.27352038
-0.00008709 -0.00039214 -0.00059409
0.00390354 0.03157122 -0.00362168
-4.27577274 -4.30337061 -13.67228543
-0.00090764 -0.00018627 -0.00016596
-0.00127844 -0.00258800 0.00361148
-2.05888141 -2.27631602 -13.38546649
-0.00036759 0.00003627 0.00001846
0.02149076 -0.00117632 0.00807778
16.02398305 -7.31103346 -14.84448448
0.00011864 0.00022200 0.00059763
0.00575819 -0.00720527 0.00191225
17.19794899 -7.49890516 -12.04648780
0.00020048 0.00053514 0.00038436
0.01086611 -0.01379612 0.01307175
9.32557283 -4.31865694 5.20338335
-0.00115314 0.00050749 0.00089782
0.00619543 -0.00337643 -0.00218650
12.32404454 -4.49877420 5.83833853
-0.00067179 0.00098626 0.00054350
-0.02901623 0.00384731 -0.00457626
-21.07097222 -0.03303424 24.59202278
0.00102258 -0.00044549 0.00064952
0.00313818 -0.00656377 0.00644177
-20.15276951 2.62477453 25.29500375
0.00008041 0.00080763 -0.00057432
0.00821775 -0.01597837 0.00499880
24.59829110 -2.48667476 -7.06831470
0.00020954 0.00037865 0.00052820
0.00385237 0.01207321 -0.00232261
24.07678116 -0.64479345 -9.24000866
-0.00022823 -0.00003802 -0.00045933
-0.00100839 0.00685964 -0.01881408
12.42210475 -10.23509403 -9.71598723
-0.00059655 0.00061423 -0.00003118
0.01031875 0.00584769 0.01422608
12.46081427 -8.48970358 -12.07272300
-0.00001119 -0.00043206 0.00032729
0.01138919 0.00829918 -0.00608849
-9.32177655 -9.15586395 18.29281284
0.00065702 -0.00027849 0.00033339
0.01633199 0.00022209 0.01098726
-11.56960646 -9.57442535 16.79064796
0.00095786 0.00085271 0.00051538
0.02421767 -0.01239229 -0.00342880
8.40396974 0.27554384 -30.09445923
0.00054788 -0.00037912 0.00006688
0.01274671 0.00633825 0.00247827
5.68672232 0.64886843 -29.19401033
0.00018536 -0.00113630 -0.00017790
0.00682896 -0.00630117 0.00793310
12.51077392 19.53160079 12.47049896
0.00031004 0.00029575 -0.00021045
-0.00072097 0.03925400 0.00276591
13.53715344 17.42977673 10.77614134
-0.00147262 0.00076281 -0.00025402
0.01166182 0.00224740 -0.01752343
27.73426258 7.71438628 -11.53489574
0.00061806 0.00004605 -0.00023987
0.01604699 0.00065540 -0.00646796
25.80902187 7.19384243 -9.33536373
-0.00063719 -0.00045630 -0.00003028
0.00546002 0.00885793 -0.00717793
-7.06768986 4.56149478 6.67525481
0.00026797 -0.00011037 -0.00008421
-0.00340715 -0.00375161 -0.00624888
-8.89726257 8.71616556 3.87894146
0.00021673 -0.00011821 0.00000873
-0.00508646 -0.00893939 -0.00300305
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07910223
0.29216309
389.29266508
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4389247142 (a.u.)
total exchange computation time: 3.0395939350 s
-154.2272171751
-931.37604779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4377823742 (a.u.)
total exchange computation time: 3.0411520004 s
-154.2371478835
Anderson extrapolation: theta=1.3583292903 (1.3583292903)
-931.37633668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4361494284 (a.u.)
total exchange computation time: 3.0410330296 s
-154.2510884128
Anderson extrapolation: theta=0.0580025926 (0.0580025926)
-931.37651259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4359949949 (a.u.)
total exchange computation time: 3.0398440361 s
-154.2523030315
Anderson extrapolation: theta=2.0679087526 (2.0000000000)
-931.37652038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4356791059 (a.u.)
total exchange computation time: 3.0398230553 s
-154.2547477717
Anderson extrapolation: theta=0.2680923373 (0.2680923373)
-931.37652926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4356038359 (a.u.)
total exchange computation time: 3.0396380424 s
-154.2552950183
Anderson extrapolation: theta=1.5356629313 (1.5356629313)
-931.37653111
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4355168966 (a.u.)
total exchange computation time: 3.0391368866 s
-154.2558784543
Anderson extrapolation: theta=0.3096014411 (0.3096014411)
-931.37653297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4355172368 (a.u.)
total exchange computation time: 3.0416440964 s
-154.2558191863
Anderson extrapolation: theta=1.1101527800 (1.1101527800)
-931.37653345
73.760121 23.409679 -294.748986
545.683271 1080.375033 -416.257450
619.443392 1103.784712 -711.006436
1451.750997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4355366704 (a.u.)
total exchange computation time: 3.0387790203 s
679.79204855
-1085.81268363
89.75327606
-387.69751974
-174.97611836
79.39799008
551.60419304
0.00000000
-931.37653379
3.58519263 -31.26729519 -3.84195837
-0.00034476 0.00032544 -0.00011835
0.00682294 0.02829887 0.00215517
-11.17863592 2.19370479 -9.35473163
-0.00018334 -0.00027621 -0.00004015
-0.00461244 -0.01777230 0.01247785
-37.01462022 1.95476513 3.98403407
0.00043059 0.00025979 0.00007919
0.07062872 0.03355953 -0.01218359
-7.71951917 -3.63446212 2.94156160
0.00001894 -0.00003660 -0.00025117
-0.00602972 -0.00223437 -0.00032870
2.33552625 -0.02255381 9.68402798
0.00032860 -0.00000782 -0.00005919
0.00933234 -0.01720602 -0.01860589
-31.28335216 1.40756560 3.49039631
-0.00000076 -0.00000871 -0.00002965
-0.00135358 -0.03202929 0.01049546
16.47232863 13.18812742 -17.69370602
0.00024044 -0.00017978 0.00003234
0.03115980 0.07414928 0.03621985
-3.30832783 4.89238269 4.09294248
-0.00018009 -0.00010681 -0.00038647
-0.00231183 -0.00414780 -0.00118808
4.85148735 17.36944433 -6.64425809
-0.00003108 -0.00016363 -0.00035536
-0.04140909 -0.00355157 0.04435926
8.29179696 7.41141934 -21.24904539
0.00000758 0.00043058 -0.00026345
0.01702795 -0.00506308 0.01953029
19.89471211 18.81338331 -5.33091573
0.00050846 -0.00013358 0.00008776
0.01567552 0.01202787 -0.02086912
2.04843654 14.67179465 -21.40821968
0.00000802 -0.00006239 0.00004044
-0.03794784 -0.01592634 -0.00245743
10.53510086 -5.53204569 0.04926297
0.00021027 0.00008881 -0.00005978
-0.01656749 -0.00829285 -0.00424275
-16.48303754 -5.56685034 4.79815619
0.00024671 -0.00010169 -0.00014773
0.00857966 -0.00157450 0.00559919
-14.20820538 -1.52674861 20.74821215
0.00011373 -0.00001063 0.00007107
-0.00459803 -0.00438301 0.03284181
0.72832854 3.64570004 -4.81471456
-0.00056806 -0.00011391 -0.00003352
-0.00175499 0.01956532 0.01311588
20.86053263 -9.56890358 -4.25036325
-0.00030619 0.00004829 -0.00032788
-0.00707495 -0.00589079 -0.00178486
2.78208858 -10.85835661 6.74883538
-0.00017459 -0.00005439 0.00003076
-0.05557464 0.02790415 -0.02332324
-1.85164043 -1.81663753 -19.40403082
-0.00017854 -0.00006394 0.00020018
0.01964713 0.06491823 0.04553372
-0.57986539 5.21489095 -11.28161001
0.00003478 0.00044050 -0.00019559
-0.08197878 -0.02376970 0.01305795
-4.87306998 15.49508973 13.66616124
-0.00000221 0.00004817 0.00056330
-0.02854902 -0.04044525 -0.02165928
-4.97683566 3.11596066 -8.02272566
-0.00003401 0.00021645 -0.00042255
0.01024976 0.02297674 0.02647671
-8.58885502 0.06164020 -4.37137203
0.00027995 -0.00007284 0.00026342
-0.01745626 0.00658755 0.02676324
2.99959122 27.79799117 5.65360902
0.00018373 -0.00029260 -0.00015535
0.01075363 -0.04120885 0.05396302
8.65851239 -9.60549155 -2.09523156
-0.00026517 -0.00007713 -0.00002360
-0.00286282 -0.00998443 0.00361252
-6.25689122 1.37618585 9.98496391
0.00011516 -0.00014183 0.00030988
-0.04400966 0.01258460 -0.00429102
19.77266459 9.54957086 5.95460970
0.00001948 -0.00010331 -0.00030701
0.02821774 0.01048686 -0.01933905
-3.41124278 0.59108922 -24.29907265
0.00015972 -0.00013676 0.00013989
0.05667497 0.00686495 0.05190489
-13.64176346 8.46445407 9.44241480
-0.00004545 0.00008884 -0.00008438
-0.00305741 -0.00282517 0.00186772
-13.74400592 5.74458369 -3.92013922
0.00031665 -0.00024845 -0.00014937
0.00944294 -0.03717986 -0.02308061
-3.78257275 -15.06635111 21.26012514
0.00004709 0.00005300 0.00023816
-0.01138946 -0.02070313 -0.02262009
-6.35385711 8.59566909 -6.47293797
-0.00017946 0.00024411 0.00032538
0.01169474 0.00359097 -0.00680966
-19.75838529 30.38533896 1.29930666
0.00021069 0.00033025 0.00018024
0.01415544 0.00395156 -0.00439114
10.28161449 3.67347281 8.11510089
-0.00007190 0.00041403 -0.00000993
-0.00405459 0.03782577 0.01010944
7.40662010 16.52071363 -11.72803280
-0.00022734 0.00000193 0.00013441
-0.01162053 -0.02643053 0.02328632
14.05234263 4.45138512 -0.55823753
0.00012874 -0.00048782 0.00053773
0.02184814 -0.01495502 -0.03640007
-5.79385265 11.87678518 -1.28305912
-0.00045685 0.00008863 0.00006201
0.03826811 -0.00864274 -0.04407860
8.37499964 11.36495602 4.92414694
0.00017864 -0.00061827 -0.00002128
-0.01837091 0.04800643 0.00223274
19.87668309 -11.16882679 -10.59309911
0.00010856 -0.00011172 -0.00030060
-0.00375196 -0.02871859 0.03166366
19.24610821 -5.81172692 -0.17464354
0.00010870 0.00022631 0.00014426
0.00316838 0.02899546 -0.01725001
15.90262292 7.58257923 9.61967809
-0.00018058 -0.00018712 0.00005234
0.00555505 -0.00506256 0.00770710
3.81011150 -14.61936022 16.57808094
-0.00024694 -0.00001947 0.00006573
-0.00055708 -0.01105730 0.00203500
-3.71692390 -2.55355533 -13.98563077
-0.00030114 0.00003745 -0.00040279
-0.00738062 0.02469139 -0.01335142
16.27737978 -6.46622383 -13.18760756
0.00008882 0.00028493 0.00012301
-0.02873128 -0.00418564 -0.02516548
10.57663745 -4.47075561 6.53523109
0.00010280 -0.00025466 0.00024703
0.01738644 0.00154915 0.00730144
-19.56537390 0.85664011 25.15768675
-0.00029445 0.00011794 0.00022673
-0.01058212 0.02855581 -0.00395330
24.02782528 -0.74151293 -7.42420393
-0.00013388 -0.00000600 0.00018248
-0.00251544 -0.01362380 0.00638528
11.52137174 -9.73566934 -11.19274735
0.00012477 0.00004994 0.00015516
-0.02460800 -0.01593316 -0.00419878
-9.73015072 -9.94328057 16.72251911
-0.00020115 0.00006969 0.00028232
-0.02856084 0.01114125 -0.00925579
7.35259064 0.08936008 -28.60942031
-0.00014678 -0.00036375 -0.00012227
-0.01574079 0.00217019 -0.00299667
12.59023739 17.79079511 12.25906672
0.00005773 -0.00003168 0.00005155
-0.01004814 -0.02853381 0.02224981
25.97222590 7.49137293 -11.16426499
0.00009981 0.00026994 -0.00001977
-0.01624634 -0.00213284 0.01641457
3.86732339 -29.70387894 -4.90641260
0.00091782 0.00026543 0.00013702
0.00090912 -0.01984929 0.00947188
3.32851911 -30.54439741 -2.09424610
-0.00024459 0.00105446 0.00046885
0.00005490 -0.00669034 -0.00934059
-9.64020568 3.01134348 -8.87218538
0.00106850 -0.00030906 -0.00001340
0.00524422 0.00330832 0.00302448
-11.60722128 2.68694398 -11.05523880
-0.00030314 0.00057457 -0.00046465
-0.00072419 0.00913227 -0.01745354
-36.77006949 3.51707201 2.96995944
0.00016534 -0.00002874 -0.00012389
-0.01202138 -0.01741383 0.01469786
-38.72063826 1.55461141 3.92458791
0.00004039 0.00002384 0.00077451
-0.04841144 -0.01213299 -0.00479289
-9.15575527 -4.27311956 1.91373534
-0.00030528 -0.00164012 0.00061863
0.00828337 -0.00397236 -0.00091888
-6.29596939 -4.74351713 2.61718827
-0.00023521 -0.00039088 -0.00014675
-0.00731189 0.00035400 0.00035642
3.46945996 -1.31895392 8.93650881
-0.00067667 0.00075861 -0.00027896
-0.01638767 0.02095247 0.00523673
1.66077167 0.97451633 8.27424999
-0.00081350 -0.00011224 -0.00059098
0.00831484 -0.00672813 0.00974225
-30.81845303 -0.41993047 3.81252909
0.00001044 0.00060376 -0.00036366
-0.00025770 0.02652584 -0.01211390
-33.12935711 1.33753863 3.52646412
-0.00066959 -0.00093071 0.00113974
0.00680005 0.00231530 0.00057679
15.50155037 12.08708439 -18.59131039
-0.00052569 0.00087157 0.00008862
-0.04029672 -0.04544230 -0.03158708
17.98492743 12.30348359 -17.26810987
0.00007433 -0.00003238 -0.00005608
0.01048711 -0.01526370 -0.00013994
-2.67012607 6.37302555 4.96160284
0.00066835 -0.00115697 -0.00085842
0.00377797 0.00236335 0.00939912
-3.72520877 5.71401235 2.52192967
0.00028335 0.00041801 -0.00123402
-0.00023888 -0.00452843 -0.01038946
5.85508066 17.06555842 -8.04727975
0.00011506 0.00123513 -0.00008199
0.03205150 -0.00363379 -0.04373143
5.59878762 18.65384823 -5.59793071
0.00010122 0.00016820 0.00117802
0.01233093 0.00163507 -0.00368920
9.05168959 6.41657373 -22.56214971
0.00006189 0.00010064 0.00022271
-0.01006962 -0.00247684 -0.01913096
9.70432605 7.50139774 -20.01005890
0.00033466 0.00073549 0.00044630
-0.01480081 0.01144038 -0.00325486
19.67925799 20.31693880 -4.33698515
-0.00011477 0.00111489 -0.00036171
-0.01558780 0.00884177 0.02381625
21.06708592 19.69488758 -6.48998908
0.00118465 0.00021185 -0.00018111
-0.00383298 -0.01746440 -0.00049847
1.72215019 12.99235467 -20.66407676
-0.00092515 0.00025593 0.00063211
0.01098141 0.01578006 -0.00183371
0.25201918 15.14572262 -21.92155756
-0.00010650 -0.00090252 0.00031054
0.02465815 0.00273261 0.00703450
9.73972788 -7.18039343 -0.49557402
-0.00032753 -0.00042873 -0.00025998
0.01162323 0.02446108 0.00573392
9.23346394 -4.24748378 -0.36045266
-0.00022742 0.00041909 -0.00005590
0.01484335 -0.00829796 0.00342833
-17.09632591 -6.52273761 6.19756174
-0.00028517 0.00002702 -0.00024362
0.00293123 -0.00448450 0.01884370
-18.02576723 -5.32678089 3.91931012
-0.00042111 0.00008883 -0.00016798
-0.01269408 0.00392418 -0.02300919
-14.25876310 -0.93717951 19.09550247
0.00006209 0.00037151 -0.00065477
0.00293005 0.01104090 -0.04849385
-15.10295009 -0.21338332 21.61340131
-0.00053011 0.00050820 -0.00025340
-0.00407482 0.00047697 0.01467717
-0.15576219 2.97512037 -3.36599531
0.00033892 0.00039150 -0.00033424
-0.00183076 -0.00713902 -0.00838327
1.07736333 2.31383316 -5.99307692
0.00072320 0.00029677 0.00019353
-0.00114041 -0.01369866 0.00318836
20.04530678 -9.06404622 -5.82602662
0.00078238 0.00013641 -0.00016346
0.01848585 0.00205944 0.00935308
22.74023464 -9.32231891 -4.19134711
-0.00148962 0.00060268 -0.00062387
-0.02058671 -0.00023951 -0.01431644
4.46112519 -11.19040341 6.58887933
0.00084141 0.00000957 -0.00048832
0.06566722 -0.01573117 -0.01729208
2.47177536 -11.36468805 8.39907919
-0.00037734 0.00080068 0.00011387
-0.00979253 -0.01066703 0.04362618
-2.59289487 -3.07349022 -20.32414344
0.00004716 -0.00063675 0.00051310
-0.02767204 -0.05364819 -0.02980481
-2.84740824 -1.47776715 -17.86746463
-0.00065617 -0.00069320 -0.00025476
0.00898674 -0.00900696 -0.01553451
1.07313443 5.70929600 -11.45971458
-0.00031216 -0.00027095 0.00038061
0.05726556 0.00935372 0.01118782
-1.04838697 4.34373180 -9.68877007
-0.00034184 0.00011236 0.00068601
0.01384202 0.01470700 -0.02004624
-4.16132134 16.73791070 14.63745265
0.00028053 0.00083803 -0.00034779
0.03540321 0.04312814 0.03844686
-6.61181835 16.08145015 13.62028780
0.00016570 0.00008488 -0.00072077
-0.00368212 -0.00544694 -0.00029505
-5.33434228 2.10748927 -6.57109951
0.00046188 -0.00013868 -0.00013140
-0.00171740 -0.00496217 0.00811535
-5.39728019 2.10202528 -9.45853601
0.00073790 -0.00025117 -0.00011701
-0.00645656 -0.00656811 -0.01960484
-9.29227596 -1.66458269 -4.42258932
0.00000338 -0.00063257 -0.00001727
0.00428386 0.02320517 0.00834657
-9.49807111 1.09267778 -3.01834857
-0.00047104 -0.00092947 0.00052739
0.01824793 -0.02780191 -0.03072323
2.42926287 28.99712712 4.53480116
-0.00023200 -0.00011201 0.00067452
-0.01817901 0.04001881 -0.03603732
2.26282976 28.17749984 7.31342045
-0.00093435 -0.00041042 -0.00074253
0.00984787 -0.00209451 -0.02024960
7.07132086 -9.88383359 -3.00325929
0.00011774 0.00128707 0.00130316
0.00097901 -0.00059871 0.01261834
8.98492033 -10.99627798 -0.91487605
0.00025055 0.00001558 -0.00068664
-0.01004250 0.00050596 -0.01088403
-5.46417703 -0.16869023 9.57505257
0.00090713 0.00034908 -0.00067016
0.03013581 -0.03329196 -0.01756454
-8.03005634 0.83627363 9.93926462
0.00021907 0.00090915 -0.00008727
0.00789416 0.01205715 0.00347011
19.18503194 9.67542552 7.63519736
-0.00085918 0.00036379 -0.00037854
-0.01114760 -0.00245895 0.02661749
21.52277734 10.16166474 6.03533657
0.00167027 -0.00012435 -0.00016073
-0.00651979 -0.00440350 -0.00331895
-3.02162215 0.62250983 -22.37788816
-0.00081316 0.00025302 -0.00037308
-0.01456184 -0.00694927 -0.04870463
-5.14804361 0.43836977 -24.53766105
-0.00088075 -0.00066652 -0.00072871
-0.04290514 -0.00236353 -0.00144616
-12.82403834 9.54691211 10.66270372
-0.00005543 0.00003206 0.00000044
0.00544713 0.00100196 -0.00171375
-13.62993072 9.53140871 7.93749442
-0.00083723 0.00007542 -0.00081886
-0.00201314 0.00208684 -0.00861490
-13.72195136 4.13950980 -4.91741267
0.00041036 0.00058473 0.00063253
0.00649587 0.01921971 0.01882775
-15.00848022 6.62988595 -4.88136316
-0.00050736 -0.00034501 0.00070216
-0.01137011 0.01160236 0.00430587
-5.39838486 -16.08177647 21.06759087
-0.00010166 0.00040872 -0.00070466
0.01565439 0.01143190 0.00762591
-2.98323043 -15.34533096 19.60537894
0.00008530 0.00045932 0.00004039
-0.00525581 0.00637730 0.01481236
-6.53374575 6.80355061 -6.59296176
-0.00008396 -0.00027907 -0.00003039
0.00006467 -0.01046970 0.00028145
-7.74509753 9.26591519 -5.50721950
-0.00111593 -0.00057487 -0.00090745
-0.00597872 0.00349359 -0.00150738
-20.95044474 30.96740813 0.04178534
-0.00081348 -0.00031974 0.00024044
0.01021987 -0.00391574 -0.00003152
-17.97462683 30.47550898 0.72710114
-0.00084119 -0.00086240 -0.00063844
-0.02339006 0.00024214 0.00212978
9.03806510 3.08460212 6.91448175
-0.00125920 -0.00049364 -0.00044829
-0.00573244 -0.00699661 -0.00654387
9.74837747 5.49794695 8.45150563
-0.00015955 -0.00065503 0.00018858
0.00885239 -0.02784429 -0.00287026
8.48790030 17.82294568 -12.30528036
0.00007482 -0.00034410 0.00018788
0.01359938 0.01243714 -0.01243503
8.63084439 15.17656539 -11.32839524
-0.00019321 0.00022737 -0.00052938
-0.01056326 0.00936230 -0.00366640
12.84975853 5.63997881 -0.01437037
-0.00010409 0.00101806 -0.00008999
-0.01038268 0.01526252 0.01703085
14.38445422 3.24366040 0.75912307
-0.00027749 -0.00011808 -0.00022060
-0.01104028 -0.00245238 0.01630671
-4.56589509 11.72334919 -2.81071968
0.00014073 0.00017136 -0.00010968
-0.02872522 0.01609598 0.03570622
-5.35014668 10.17734524 -0.69408548
0.00058002 -0.00055364 -0.00123529
-0.00686405 0.00239967 0.00903820
7.73070613 13.20504796 4.74587053
-0.00012020 -0.00052593 -0.00006455
0.02435950 -0.04530624 0.00128282
10.19831410 11.31803713 4.55089232
0.00063007 -0.00041878 -0.00001604
-0.00917557 0.00069082 0.00047010
18.87924967 -11.03734790 -8.96590918
0.00104122 0.00084326 -0.00004544
0.01854905 -0.00452202 -0.03361031
20.64610836 -12.91595437 -10.51501909
-0.00054090 0.00079787 0.00060694
-0.01381818 0.02802892 0.00048026
18.97492071 -4.89579255 -1.80276112
0.00064842 0.00029879 0.00017940
0.00726861 -0.02186865 0.01954408
18.25089044 -7.33413555 -0.23413528
0.00029855 0.00007344 0.00033193
-0.01137925 -0.01521516 -0.00536675
14.98230316 9.09732967 9.32856472
-0.00097268 -0.00017774 -0.00017426
-0.01015987 0.01068797 -0.00495112
16.60104911 7.80436488 11.29210465
0.00021687 0.00052477 0.00016403
-0.00099882 -0.00307288 -0.00034386
2.74220723 -15.70705758 17.60254931
0.00062331 -0.00066698 -0.00008154
0.00148414 -0.02022290 -0.01196697
3.26996739 -13.06628721 17.26449799
-0.00007496 -0.00025492 -0.00060429
0.00203540 0.03560167 -0.00137013
-4.28942649 -4.30624390 -13.67466422
-0.00091124 -0.00019276 -0.00015162
-0.00048426 -0.00059146 0.00341192
-2.06373666 -2.27580802 -13.38494204
-0.00028205 0.00003053 0.00005069
0.02037937 -0.00163110 0.00769647
16.02593903 -7.30792420 -14.83546145
0.00014168 0.00019052 0.00060114
0.00552300 -0.00820453 -0.00019212
17.20128909 -7.49130088 -12.04032182
0.00024386 0.00047993 0.00043671
0.01037041 -0.01322549 0.01255377
9.30846557 -4.31114813 5.21678363
-0.00112213 0.00049303 0.00089301
0.00898611 -0.00369891 -0.00016582
12.31307861 -4.48386238 5.84635084
-0.00078022 0.00100135 0.00051959
-0.02406454 0.00354057 -0.00712905
-21.05553729 -0.03991772 24.60196295
0.00102302 -0.00047711 0.00067151
-0.00292463 -0.00891329 0.00432303
-20.15131157 2.63639942 25.28654214
0.00011419 0.00073543 -0.00055434
0.00831667 -0.01936665 0.00477923
24.60155225 -2.48062498 -7.06046289
0.00022615 0.00042520 0.00051826
0.00427867 0.01070914 -0.00254192
24.07332682 -0.64515352 -9.24747509
-0.00023224 -0.00001116 -0.00052600
-0.00095290 0.00628842 -0.01382227
12.41347268 -10.22570138 -9.71601900
-0.00054917 0.00063495 0.00003611
0.01287426 0.00429542 0.01871449
12.46099541 -8.49593022 -12.06800015
0.00003946 -0.00039243 0.00029824
0.01340447 0.01110233 -0.00813424
-9.31142082 -9.16003443 18.29815036
0.00072394 -0.00027889 0.00037637
0.01642742 -0.00041909 0.01005107
-11.55449643 -9.56201438 16.79827365
0.00104328 0.00080460 0.00050133
0.01759777 -0.01116058 -0.00345268
8.41257851 0.27005121 -30.09338015
0.00059728 -0.00035305 0.00007975
0.01143579 0.00642377 0.00382237
5.68971198 0.63163086 -29.19643570
0.00020702 -0.00115930 -0.00014846
0.00377222 -0.00495775 0.00647510
12.51540248 19.53723987 12.46742697
0.00030670 0.00044931 -0.00019900
-0.00091682 0.03591594 0.00283966
13.51542154 17.44128774 10.77179408
-0.00141960 0.00076852 -0.00033521
0.01429048 0.00054724 -0.02221819
27.74402515 7.71509712 -11.53869192
0.00067574 0.00004771 -0.00026322
0.01218772 0.00015693 -0.00496300
25.79963126 7.18726931 -9.33603782
-0.00061275 -0.00041915 -0.00006215
0.00650738 0.00932844 -0.00842628
-7.06367950 4.55982913 6.67397489
0.00026676 -0.00011170 -0.00008645
-0.00335234 -0.00365718 -0.00629397
-8.89402054 8.71437681 3.87906723
0.00021551 -0.00012027 0.00000803
-0.00536861 -0.00882959 -0.00305253
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07872855
0.29780524
396.81055257
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4315720020 (a.u.)
total exchange computation time: 3.0401210785 s
-154.1904918365
-931.38267125
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4304878086 (a.u.)
total exchange computation time: 3.0394370556 s
-154.1996346676
Anderson extrapolation: theta=1.3586990457 (1.3586990457)
-931.38294965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4288960466 (a.u.)
total exchange computation time: 3.0403127670 s
-154.2126177291
Anderson extrapolation: theta=0.0580361770 (0.0580361770)
-931.38311975
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4287126163 (a.u.)
total exchange computation time: 3.0399050713 s
-154.2138681226
Anderson extrapolation: theta=2.0705598320 (2.0000000000)
-931.38312754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4283225900 (a.u.)
total exchange computation time: 3.0385968685 s
-154.2164338630
Anderson extrapolation: theta=0.2661927479 (0.2661927479)
-931.38313681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4282176587 (a.u.)
total exchange computation time: 3.0425579548 s
-154.2170414772
Anderson extrapolation: theta=1.5070925167 (1.5070925167)
-931.38313887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4280856249 (a.u.)
total exchange computation time: 3.0393359661 s
-154.2177112637
Anderson extrapolation: theta=0.3049485061 (0.3049485061)
-931.38314114
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4280722098 (a.u.)
total exchange computation time: 3.0384578705 s
-154.2176801191
Anderson extrapolation: theta=1.1048915486 (1.1048915486)
-931.38314178
73.772811 23.399736 -294.818647
545.630383 1080.427407 -416.274066
619.403194 1103.827142 -711.092712
1451.808363
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4280780594 (a.u.)
total exchange computation time: 3.0428259373 s
679.67189402
-1085.54969987
89.75994420
-387.88029621
-174.95690638
79.25122204
551.60419304
0.00000000
-931.38314231
3.58004753 -31.26230445 -3.84372529
-0.00034115 0.00034049 -0.00011618
0.00721224 0.03022000 0.00629417
-11.18140377 2.18949314 -9.35528567
-0.00018413 -0.00028405 -0.00003430
0.00153615 -0.01273705 0.01026103
-37.00788891 1.95879144 3.98517491
0.00046552 0.00027638 0.00007309
0.06521335 0.03095650 -0.01151518
-7.71925838 -3.63501974 2.93779271
0.00001547 -0.00003814 -0.00025163
-0.00744747 -0.00373431 -0.00144633
2.34049122 -0.02273748 9.68306839
0.00033174 -0.00001466 -0.00006914
0.00286685 -0.00939763 -0.02007718
-31.28336882 1.40731141 3.48999202
-0.00000309 -0.00002450 -0.00002425
-0.00770313 -0.02939281 0.01052699
16.47605542 13.18571675 -17.69308120
0.00025627 -0.00014113 0.00005111
0.03039481 0.07614263 0.03676511
-3.31103805 4.89076460 4.08714083
-0.00018208 -0.00010936 -0.00038925
-0.00543615 -0.00578247 -0.00963644
4.85086142 17.36697612 -6.64941742
-0.00005181 -0.00016376 -0.00033063
-0.03919861 0.00308005 0.05182102
8.29197632 7.41785856 -21.25292174
0.00001694 0.00042821 -0.00025251
0.01937898 -0.00414953 0.02298081
19.90239948 18.81142598 -5.32967983
0.00051694 -0.00012548 0.00007726
0.01728331 0.01946791 -0.01994491
2.04841045 14.67079737 -21.40762257
-0.00001158 -0.00007091 0.00003945
-0.03824891 -0.01718884 -0.00140066
10.53819098 -5.53074551 0.04834988
0.00020083 0.00008426 -0.00006238
-0.02014671 -0.00942352 -0.00586035
-16.47930374 -5.56838177 4.79596184
0.00024978 -0.00010240 -0.00014545
0.00335075 -0.00117038 0.00327472
-14.20651715 -1.52692501 20.74940482
0.00011071 -0.00001129 0.00008638
-0.00716963 0.00181978 0.02671726
0.71980091 3.64406681 -4.81516677
-0.00056810 -0.00010278 -0.00002800
0.00160132 0.02371351 0.00833458
20.85591254 -9.56820189 -4.25528839
-0.00031075 0.00004484 -0.00032815
-0.01065740 -0.00753332 0.00073802
2.77925531 -10.85906477 6.74920677
-0.00020010 -0.00004061 0.00001815
-0.04362674 0.02568013 -0.02571136
-1.85424271 -1.81734615 -19.40085247
-0.00016874 -0.00003136 0.00022277
0.01845712 0.06176052 0.04230319
-0.57965985 5.22140674 -11.28449349
-0.00000888 0.00042723 -0.00018744
-0.08783152 -0.02782438 0.01862312
-4.87321325 15.49565622 13.67452715
-0.00001629 0.00002775 0.00055254
-0.02622081 -0.03894105 -0.02015318
-4.97730621 3.11929610 -8.02896185
-0.00002885 0.00022798 -0.00040805
0.00981614 0.02186245 0.02994065
-8.58472305 0.06057298 -4.36731745
0.00027043 -0.00007052 0.00027724
-0.01956796 0.00245436 0.02697561
3.00238860 27.79344324 5.65148697
0.00018926 -0.00031385 -0.00012767
0.01077250 -0.04144913 0.05365167
8.65452373 -9.60668705 -2.09557158
-0.00026477 -0.00008125 -0.00002109
0.00443555 -0.00603068 0.00615517
-6.25533359 1.37410698 9.98959555
0.00009358 -0.00013532 0.00030756
-0.03991561 0.01270309 -0.00472323
19.77306564 9.54806168 5.94992990
0.00003612 -0.00009716 -0.00031641
0.03647201 0.01343862 -0.01718402
-3.40862835 0.58906434 -24.29677410
0.00018545 -0.00013341 0.00016518
0.04338208 0.00615149 0.04642719
-13.64245706 8.46577574 9.44115636
-0.00004713 0.00008785 -0.00008416
-0.00345080 -0.00103193 -0.00104490
-13.73921977 5.74071357 -3.92246879
0.00032128 -0.00026584 -0.00016028
0.00856164 -0.03045371 -0.01935076
-3.78191039 -15.06563593 21.26361032
0.00004124 0.00004243 0.00022620
-0.01134737 -0.02041971 -0.02387955
-6.35650388 8.59934463 -6.46808349
-0.00017329 0.00024454 0.00032167
0.01231094 -0.00193488 -0.00761734
-19.75517035 30.39030799 1.30199332
0.00021597 0.00033242 0.00017790
0.00639511 0.00447360 -0.00470227
10.28052036 3.67982918 8.11499093
-0.00007537 0.00043123 -0.00000654
-0.00944014 0.02907604 0.00306967
7.40316520 16.52064062 -11.72592685
-0.00023351 -0.00001127 0.00014621
-0.01237055 -0.02491241 0.02259451
14.05435806 4.44401015 -0.55031197
0.00013816 -0.00049269 0.00051818
0.01477232 -0.00397662 -0.03962966
-5.80055782 11.87808137 -1.28229906
-0.00043649 0.00008341 0.00003913
0.04090447 -0.01169227 -0.04486784
8.37760836 11.35586720 4.92383638
0.00016973 -0.00059353 -0.00002023
-0.01626738 0.04817583 0.00182488
19.87829705 -11.17061332 -10.59748592
0.00010617 -0.00012502 -0.00028443
-0.00554732 -0.02301402 0.03119635
19.24775097 -5.80822040 -0.17254624
0.00011039 0.00024091 0.00013565
0.00339174 0.02775563 -0.01620735
15.89993560 7.57975285 9.62049284
-0.00017799 -0.00018877 0.00005669
0.00453609 -0.00135406 0.00923665
3.80640528 -14.61969496 16.57907470
-0.00024653 -0.00002603 0.00006612
0.00212617 -0.01444687 -0.00052220
-3.72146951 -2.55289834 -13.99172419
-0.00030461 0.00004988 -0.00040943
-0.00608667 0.02364326 -0.01244422
16.27860131 -6.46196600 -13.18585953
0.00007438 0.00028271 0.00011090
-0.02744877 -0.00444890 -0.02192373
10.57824651 -4.47456956 6.53896477
0.00010957 -0.00025376 0.00025101
0.00893602 0.00193870 0.00814246
-19.56983142 0.85851939 25.16107250
-0.00029820 0.00013402 0.00022532
-0.00402657 0.03395502 -0.00155925
24.02580743 -0.74165550 -7.42144215
-0.00013526 -0.00001245 0.00018438
-0.00287293 -0.01146772 0.00100187
11.52314841 -9.73498172 -11.19043608
0.00011114 0.00004150 0.00015241
-0.02839045 -0.01686268 -0.00652104
-9.73327806 -9.94219232 16.72671824
-0.00021388 0.00007525 0.00027786
-0.02095713 0.01051806 -0.00808864
7.35032825 0.08391224 -28.61126587
-0.00015360 -0.00036297 -0.00012375
-0.01078332 0.00086218 -0.00278871
12.59106464 17.79020984 12.25992586
0.00005202 -0.00004474 0.00006406
-0.01215887 -0.02224458 0.02638303
25.97366039 7.49541385 -11.16449818
0.00009230 0.00026889 -0.00001147
-0.01294006 -0.00197563 0.01585906
3.88111857 -29.70050580 -4.90406709
0.00092036 0.00018405 0.00017459
0.00033578 -0.01998325 0.00892244
3.32485199 -30.52878557 -2.08749956
-0.00024413 0.00102259 0.00042312
0.00017118 -0.00891127 -0.01304317
-9.62401753 3.00680900 -8.87229371
0.00107518 -0.00030326 -0.00000557
-0.00197101 -0.00047240 0.00080710
-11.61179063 2.69584233 -11.06274339
-0.00030372 0.00060892 -0.00052706
0.00044325 0.00768147 -0.01309774
-36.76795775 3.51610727 2.96855150
0.00011674 -0.00009725 -0.00006530
-0.01177094 -0.01612033 0.01398004
-38.72151582 1.55459717 3.93605874
-0.00014767 -0.00002335 0.00075531
-0.04364921 -0.01096653 -0.00460830
-9.16008066 -4.29784310 1.92298668
-0.00026964 -0.00165326 0.00061632
0.00916230 -0.00245878 -0.00021417
-6.29972155 -4.74936947 2.61499795
-0.00026417 -0.00038902 -0.00014458
-0.00686519 0.00055586 0.00070531
3.45880769 -1.30693268 8.93248492
-0.00073408 0.00083320 -0.00026262
-0.01171330 0.01555770 0.00276305
1.64882390 0.97262654 8.26568380
-0.00077598 -0.00014461 -0.00054273
0.01005154 -0.00911684 0.01387948
-30.81830436 -0.41006126 3.80670298
0.00001227 0.00070455 -0.00041176
0.00115637 0.02281293 -0.01143296
-33.13919255 1.32364886 3.54357783
-0.00063203 -0.00091934 0.00114105
0.01158515 0.00325273 0.00006455
15.49243017 12.09876538 -18.59094905
-0.00069058 0.00068460 -0.00004144
-0.04041620 -0.04608017 -0.03207593
17.98636381 12.30253023 -17.26895529
0.00011917 -0.00009770 -0.00005690
0.01145943 -0.01671110 -0.00026219
-2.65998503 6.35574342 4.94901452
0.00068722 -0.00113818 -0.00081444
0.00545980 0.00683384 0.01213092
-3.72096579 5.72014376 2.50310100
0.00028516 0.00039366 -0.00126455
0.00112510 -0.00739322 -0.00455647
5.85778878 17.08397409 -8.04984972
0.00024933 0.00121988 -0.00026469
0.03367161 -0.00383487 -0.04569740
5.60068380 18.65642126 -5.58037339
0.00014400 0.00016188 0.00115208
0.00860959 -0.00472448 -0.00901276
9.05230944 6.41800737 -22.55939530
0.00002210 0.00008933 0.00014351
-0.00941126 -0.00305706 -0.01963816
9.70889238 7.51278059 -20.00346413
0.00026836 0.00078120 0.00042690
-0.01765050 0.01093496 -0.00624198
19.67705872 20.33393303 -4.34168098
-0.00017635 0.00113940 -0.00027194
-0.01455308 0.00315662 0.02012458
21.08473822 19.69753024 -6.49272097
0.00116344 0.00013670 -0.00017698
-0.00654890 -0.01932447 0.00252099
1.70860938 12.99667714 -20.65465134
-0.00087742 0.00032003 0.00062435
0.01238350 0.01559819 -0.00196305
0.25117726 15.13226855 -21.91668396
-0.00000765 -0.00088768 0.00033733
0.02373207 0.00453076 0.00607984
9.73517111 -7.18607488 -0.49929809
-0.00027720 -0.00032314 -0.00023480
0.01301561 0.02722884 0.00659561
9.23050745 -4.24145177 -0.36118612
-0.00016227 0.00038104 -0.00004043
0.01704996 -0.01032555 0.00414499
-17.10051359 -6.52246976 6.19448481
-0.00027235 0.00000901 -0.00016698
0.00334340 -0.00433085 0.01867500
-18.03247285 -5.32532824 3.91608540
-0.00046300 0.00010367 -0.00025691
-0.00781418 0.00334183 -0.02052371
-14.25774191 -0.93126861 19.08419495
0.00007466 0.00041071 -0.00083679
0.00321918 0.00814978 -0.04060566
-15.11102660 -0.20574566 21.61005001
-0.00054230 0.00050356 -0.00019749
-0.00189133 -0.00274862 0.01269065
-0.15073456 2.98077417 -3.37126585
0.00032489 0.00035628 -0.00035779
-0.00503332 -0.01010128 -0.00314190
1.08817641 2.31786495 -5.99007628
0.00071868 0.00023832 0.00020553
-0.00107417 -0.01491392 0.00268506
20.05760897 -9.06193704 -5.82819190
0.00085170 0.00014722 -0.00013234
0.01544380 0.00323637 0.00587798
22.71725943 -9.31328608 -4.20114380
-0.00156030 0.00060273 -0.00067985
-0.01401007 0.00026681 -0.01308822
4.47575863 -11.19074197 6.58102467
0.00108329 -0.00005029 -0.00055482
0.05273109 -0.01356662 -0.01526047
2.46581523 -11.35300471 8.40212411
-0.00041549 0.00075698 0.00029282
-0.00888398 -0.01072379 0.04397051
-2.59303546 -3.08468546 -20.31736025
-0.00006187 -0.00085127 0.00039414
-0.02569657 -0.05136044 -0.02842593
-2.85697536 -1.48844115 -17.87176210
-0.00062061 -0.00072817 -0.00031431
0.00842043 -0.00811110 -0.01361206
1.07020676 5.70551838 -11.45366266
-0.00006854 -0.00022990 0.00042497
0.06198789 0.01073922 0.01053014
-1.05309042 4.34586781 -9.67909423
-0.00028308 0.00017770 0.00059378
0.01492079 0.01727968 -0.02509808
-4.15602846 16.75180266 14.63341392
0.00042147 0.00101001 -0.00019519
0.03358706 0.04106133 0.03625333
-6.60944570 16.08255638 13.60946718
0.00014956 0.00006377 -0.00072106
-0.00421690 -0.00488302 0.00015207
-5.32746677 2.10525702 -6.57282176
0.00045623 -0.00015532 -0.00010280
-0.00104657 -0.00318314 0.00588405
-5.38640957 2.09805642 -9.46089188
0.00071096 -0.00027895 -0.00019888
-0.00673160 -0.00702650 -0.02047180
-9.29209400 -1.67336023 -4.42259265
0.00002451 -0.00053116 0.00001650
0.00605847 0.02643894 0.00818564
-9.50457760 1.07788378 -3.01137920
-0.00039561 -0.00104143 0.00040183
0.01867776 -0.02700261 -0.03073680
2.42522578 28.99667333 4.54381464
-0.00030630 0.00005318 0.00052394
-0.01818880 0.04084206 -0.03767156
2.24911625 28.17127935 7.30166199
-0.00089401 -0.00042001 -0.00082117
0.00989765 -0.00259800 -0.01824649
7.07311695 -9.86454591 -2.98332526
0.00010685 0.00128103 0.00134600
-0.00630843 -0.00235709 0.00835183
8.98837089 -10.99602880 -0.92550916
0.00020972 0.00001330 -0.00072741
-0.00994337 -0.00162112 -0.00907127
-5.44964665 -0.16447419 9.56446196
0.00102570 0.00021601 -0.00074141
0.02790582 -0.03184683 -0.01731268
-8.02652831 0.85028038 9.93806185
0.00024715 0.00095444 -0.00007333
0.00584675 0.01011073 0.00335355
19.17180267 9.68080708 7.63033489
-0.00090111 0.00035364 -0.00027523
-0.00937726 -0.00251327 0.02395643
21.54763163 10.15966458 6.03282387
0.00162376 -0.00014839 -0.00017338
-0.01624599 -0.00736367 -0.00287049
-3.03426575 0.62609223 -22.38497679
-0.00087020 0.00022424 -0.00056457
-0.01336150 -0.00714239 -0.04503432
-5.16256960 0.42829961 -24.54863599
-0.00103197 -0.00067419 -0.00073160
-0.03111958 -0.00139275 0.00003163
-12.82470292 9.54742378 10.66265784
-0.00003362 0.00003662 -0.00000807
0.00523037 0.00122676 -0.00245386
-13.64255083 9.53260402 7.92494758
-0.00084437 0.00008001 -0.00084636
-0.00148365 0.00015964 -0.00484761
-13.71559688 4.14886978 -4.90734781
0.00043709 0.00065095 0.00070105
0.00658757 0.01319411 0.01471627
-15.01643899 6.62506631 -4.87069878
-0.00055244 -0.00029858 0.00072017
-0.01069904 0.01112854 0.00451136
-5.39943001 -16.07529536 21.05725468
-0.00003812 0.00045446 -0.00067200
0.01544867 0.01095953 0.00835879
-2.98211195 -15.33824574 19.60643862
0.00006395 0.00048549 0.00010201
-0.00519867 0.00643482 0.01535301
-6.53500312 6.79904380 -6.59340896
-0.00008236 -0.00031279 -0.00002929
0.00071461 -0.00604056 0.00025559
-7.76201967 9.25739916 -5.52087747
-0.00114281 -0.00055835 -0.00091158
-0.00718100 0.00459249 -0.00051574
-20.96233379 30.96249197 0.04539100
-0.00076691 -0.00033783 0.00024444
0.01257832 -0.00493631 0.00198647
-17.98796148 30.46258046 0.71758979
-0.00092598 -0.00086012 -0.00063319
-0.01811365 0.00087280 0.00044280
9.01900146 3.07698309 6.90755693
-0.00126864 -0.00051488 -0.00046200
0.00111170 -0.00339791 -0.00016936
9.74625550 5.48726833 8.45424633
-0.00012621 -0.00075857 0.00017777
0.00746809 -0.02284085 -0.00242055
8.48943934 17.81816532 -12.30284317
0.00012998 -0.00029174 0.00013665
0.01340150 0.01319201 -0.01264164
8.62762261 15.18026281 -11.33644836
-0.00023443 0.00026129 -0.00054257
-0.00961549 0.00724353 -0.00278952
12.84787895 5.65571737 -0.01519842
-0.00013344 0.00106673 -0.00002507
-0.00398101 0.00856471 0.01475122
14.37995349 3.24181410 0.75631369
-0.00032097 -0.00013584 -0.00014349
-0.01023936 -0.00624169 0.02143973
-4.56466432 11.72641282 -2.81127078
0.00002062 0.00023914 0.00003733
-0.03006921 0.01708209 0.03625919
-5.34165674 10.16911418 -0.71233791
0.00054953 -0.00053951 -0.00119779
-0.00805989 0.00451573 0.00931760
7.72964952 13.19577076 4.74494153
-0.00002008 -0.00071146 -0.00005929
0.02465369 -0.04551204 0.00129624
10.20748401 11.31177653 4.55066616
0.00058749 -0.00041608 -0.00001299
-0.01167000 0.00063502 0.00102353
18.89543642 -11.02483761 -8.96762069
0.00111435 0.00082557 -0.00018064
0.01724926 -0.00413683 -0.03257247
20.63757149 -12.90312748 -10.50590030
-0.00059112 0.00090045 0.00060766
-0.01076864 0.02218418 -0.00012665
18.98486972 -4.89198077 -1.79947126
0.00067719 0.00020993 0.00025752
0.00681723 -0.02162987 0.01869546
18.25501999 -7.33350016 -0.22932078
0.00025227 0.00001286 0.00030934
-0.01127312 -0.01443869 -0.00569130
14.96740169 9.09499103 9.32579913
-0.00100992 -0.00014111 -0.00019282
-0.00807016 0.00724484 -0.00413752
16.60427151 7.81214224 11.29455455
0.00021054 0.00051182 0.00015780
-0.00210044 -0.00326547 -0.00270364
2.75160238 -15.71768200 17.60095949
0.00062708 -0.00074890 -0.00012838
0.00035878 -0.01987890 -0.01096181
3.26890542 -13.06901999 17.25539164
-0.00006999 -0.00010332 -0.00060597
0.00039310 0.03860686 0.00054839
-4.30310992 -4.30915344 -13.67683390
-0.00091163 -0.00019114 -0.00013810
0.00029088 0.00138543 0.00320292
-2.06734293 -2.27539997 -13.38394590
-0.00020259 0.00002272 0.00008076
0.01851621 -0.00219422 0.00702337
16.02823349 -7.30531778 -14.82645019
0.00016372 0.00015488 0.00059583
0.00526325 -0.00924307 -0.00241024
17.20526475 -7.48450714 -12.03338646
0.00028434 0.00042810 0.00048593
0.00944306 -0.01214972 0.01153786
9.29190905 -4.30386601 5.23017374
-0.00107991 0.00047722 0.00089635
0.01167797 -0.00404112 0.00179913
12.30063785 -4.46873357 5.85392624
-0.00086676 0.00101543 0.00048482
-0.01829777 0.00334916 -0.00988961
-21.04028159 -0.04734747 24.61216806
0.00099856 -0.00051864 0.00068481
-0.00904784 -0.01141494 0.00218542
-20.14934394 2.64683739 25.27837343
0.00014782 0.00065060 -0.00053513
0.00814754 -0.02215639 0.00462528
24.60507562 -2.47391887 -7.05276685
0.00024472 0.00046559 0.00050756
0.00481026 0.00906394 -0.00269495
24.06981408 -0.64512819 -9.25578863
-0.00023599 0.00001334 -0.00057175
-0.00088413 0.00570146 -0.00857333
12.40562962 -10.21604548 -9.71490383
-0.00049206 0.00064972 0.00012075
0.01508368 0.00293298 0.02271635
12.46199805 -8.50147645 -12.06377582
0.00009762 -0.00034232 0.00026150
0.01506524 0.01342853 -0.00985162
-9.30005832 -9.16423060 18.30410388
0.00079088 -0.00028225 0.00041470
0.01633790 -0.00122620 0.00871321
-11.53830791 -9.55028740 16.80568773
0.00109953 0.00076174 0.00048733
0.00993224 -0.00981975 -0.00339954
8.42188814 0.26495227 -30.09206681
0.00064108 -0.00032661 0.00009827
0.01000654 0.00651842 0.00524601
5.69293282 0.61408945 -29.19846424
0.00021556 -0.00117667 -0.00012528
0.00040791 -0.00354689 0.00487205
12.51997485 19.54508010 12.46452901
0.00030270 0.00058632 -0.00018756
-0.00103944 0.03114939 0.00276183
13.49456546 17.45283229 10.76608515
-0.00135705 0.00076778 -0.00043405
0.01632837 -0.00090750 -0.02616797
27.75453466 7.71581757 -11.54279226
0.00071711 0.00004730 -0.00028040
0.00806464 -0.00035854 -0.00344815
25.79063947 7.18126789 -9.33722832
-0.00058411 -0.00038017 -0.00009843
0.00751124 0.00975201 -0.00933402
-7.05968715 4.55814385 6.67266118
0.00026557 -0.00011299 -0.00008871
-0.00326867 -0.00356762 -0.00632908
-8.89079719 8.71255733 3.87918237
0.00021424 -0.00012231 0.00000732
-0.00563653 -0.00869534 -0.00311043
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07875785
0.30438446
405.57703428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4220503224 (a.u.)
total exchange computation time: 3.0420811176 s
-154.1496087835
-931.38950560
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4211371996 (a.u.)
total exchange computation time: 3.0468111038 s
-154.1575503328
Anderson extrapolation: theta=1.3402006228 (1.3402006228)
-931.38976244
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4198047665 (a.u.)
total exchange computation time: 3.0448820591 s
-154.1687862344
Anderson extrapolation: theta=0.0502769054 (0.0502769054)
-931.38991461
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4196517300 (a.u.)
total exchange computation time: 3.0437600613 s
-154.1698890610
Anderson extrapolation: theta=1.8788270565 (1.8788270565)
-931.38992013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4193362209 (a.u.)
total exchange computation time: 3.0420689583 s
-154.1720994680
Anderson extrapolation: theta=0.2169830737 (0.2169830737)
-931.38992575
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4192580827 (a.u.)
total exchange computation time: 3.0437231064 s
-154.1725897213
Anderson extrapolation: theta=1.8675020137 (1.8675020137)
-931.38992683
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4191315284 (a.u.)
total exchange computation time: 3.0470199585 s
-154.1733145971
Anderson extrapolation: theta=0.2794913092 (0.2794913092)
-931.38992824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4191171590 (a.u.)
total exchange computation time: 3.0423290730 s
-154.1733249759
Anderson extrapolation: theta=1.3013137629 (1.3013137629)
-931.38992860
73.786910 23.382031 -294.900212
545.579922 1080.478593 -416.293062
619.366832 1103.860624 -711.193274
1451.867564
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4191155514 (a.u.)
total exchange computation time: 3.0427401066 s
679.52940614
-1085.23657123
89.76779639
-388.09751525
-174.93392944
79.07653212
551.60419304
0.00000000
-931.38992894
3.57495808 -31.25708057 -3.84544365
-0.00033734 0.00035637 -0.00011193
0.00760396 0.03154134 0.01021869
-11.18415976 2.18518323 -9.35576056
-0.00018187 -0.00028935 -0.00002970
0.00722772 -0.00785074 0.00763180
-37.00065451 1.96305656 3.98622691
0.00049716 0.00029136 0.00006746
0.05779753 0.02728873 -0.01037801
-7.71905505 -3.63560618 2.93401267
0.00001125 -0.00004044 -0.00025265
-0.00896527 -0.00520950 -0.00252101
2.34547831 -0.02299364 9.68195391
0.00033145 -0.00001741 -0.00007959
-0.00396803 -0.00128343 -0.02057537
-31.28344490 1.40683047 3.48966895
-0.00000862 -0.00003875 -0.00001884
-0.01378690 -0.02600994 0.01049830
16.48001669 13.18389349 -17.69217275
0.00027127 -0.00010212 0.00006968
0.02795846 0.07556238 0.03546356
-3.31379021 4.88910191 4.08126483
-0.00018564 -0.00011272 -0.00039627
-0.00842669 -0.00729213 -0.01762540
4.84993309 17.36453167 -6.65417696
-0.00007105 -0.00016074 -0.00030273
-0.03564375 0.00865621 0.05665367
8.29230518 7.42426576 -21.25662081
0.00002741 0.00042628 -0.00023999
0.02134275 -0.00337684 0.02570525
19.91022018 18.80961883 -5.32859780
0.00052611 -0.00011362 0.00006735
0.01840415 0.02667356 -0.01862874
2.04808927 14.66966747 -21.40703628
-0.00003116 -0.00007998 0.00003899
-0.03790153 -0.01809149 -0.00037316
10.54112567 -5.52951803 0.04739157
0.00018973 0.00007918 -0.00006572
-0.02300582 -0.01029877 -0.00713729
-16.47554408 -5.56992223 4.79379276
0.00025005 -0.00010293 -0.00014431
-0.00231344 -0.00092236 0.00114733
-14.20488423 -1.52708737 20.75080361
0.00010636 -0.00000869 0.00009827
-0.00970874 0.00828589 0.01950984
0.71128563 3.64261651 -4.81555468
-0.00056639 -0.00008963 -0.00002508
0.00504978 0.02745424 0.00305324
20.85121023 -9.56755831 -4.26020784
-0.00031726 0.00004049 -0.00032704
-0.01467738 -0.00940030 0.00357517
2.77608547 -10.85957482 6.74937980
-0.00021916 -0.00002818 0.00000471
-0.03046201 0.02266281 -0.02654429
-1.85670260 -1.81757830 -19.39734776
-0.00015980 -0.00000104 0.00024315
0.01632261 0.05615065 0.03696300
-0.58013189 5.22770786 -11.28723330
-0.00005467 0.00041227 -0.00017678
-0.09021375 -0.03036288 0.02282355
-4.87355880 15.49592229 13.68273759
-0.00002887 0.00000866 0.00054295
-0.02266985 -0.03528505 -0.01714319
-4.97770103 3.12280021 -8.03496706
-0.00002397 0.00023879 -0.00039191
0.00915919 0.02016488 0.03282637
-8.58074204 0.05952469 -4.36305475
0.00026002 -0.00007026 0.00029101
-0.02092669 -0.00147290 0.02655384
3.00526908 27.78857555 5.64977884
0.00019463 -0.00033474 -0.00010080
0.01010368 -0.03977923 0.05085596
8.65056930 -9.60792909 -2.09586412
-0.00026054 -0.00008332 -0.00001731
0.01200317 -0.00201451 0.00854377
-6.25408390 1.37212610 9.99419076
0.00007442 -0.00012908 0.00030493
-0.03457621 0.01156664 -0.00550937
19.77374806 9.54665617 5.94511753
0.00005656 -0.00008960 -0.00032445
0.04303701 0.01595608 -0.01411106
-3.40567923 0.58708691 -24.29411738
0.00020415 -0.00013049 0.00018726
0.02934407 0.00521343 0.03946288
-13.64317729 8.46708945 9.43988986
-0.00004902 0.00008778 -0.00008545
-0.00389407 0.00077730 -0.00394232
-13.73436757 5.73660851 -3.92494764
0.00032536 -0.00027944 -0.00016916
0.00732761 -0.02244588 -0.01518518
-3.78133556 -15.06507828 21.26691129
0.00003545 0.00003209 0.00021374
-0.01116500 -0.01979553 -0.02459088
-6.35905567 8.60300524 -6.46328777
-0.00016687 0.00024215 0.00031760
0.01261718 -0.00735279 -0.00822486
-19.75190607 30.39531153 1.30464371
0.00021717 0.00033485 0.00017552
-0.00173773 0.00499176 -0.00454481
10.27935341 3.68640985 8.11490465
-0.00008141 0.00044375 -0.00000667
-0.01404166 0.01959497 -0.00357106
7.39961486 16.52037541 -11.72364658
-0.00023999 -0.00002344 0.00015756
-0.01285327 -0.02239379 0.02154055
14.05648745 4.43660450 -0.54269214
0.00014395 -0.00049192 0.00049705
0.00772737 0.00695704 -0.04252988
-5.80694743 11.87928735 -1.28188514
-0.00041494 0.00007666 0.00001605
0.04290755 -0.01454873 -0.04487655
8.38009157 11.34715004 4.92353990
0.00016194 -0.00056895 -0.00001937
-0.01402237 0.04741474 0.00153863
19.87986822 -11.17257739 -10.60163207
0.00010287 -0.00013517 -0.00026874
-0.00730124 -0.01643913 0.02982112
19.24941990 -5.80449976 -0.17057398
0.00011211 0.00025462 0.00012774
0.00330404 0.02558064 -0.01455593
15.89728328 7.57691602 9.62137886
-0.00017598 -0.00018846 0.00006177
0.00325776 0.00258610 0.01049894
3.80271546 -14.62014114 16.58006442
-0.00024484 -0.00003408 0.00006531
0.00444829 -0.01683572 -0.00259337
-3.72606208 -2.55205896 -13.99791361
-0.00030724 0.00006181 -0.00041551
-0.00414059 0.02275061 -0.01121136
16.27961108 -6.45774250 -13.18428064
0.00006069 0.00028026 0.00010058
-0.02575855 -0.00509873 -0.01818549
10.57992451 -4.47836855 6.54276126
0.00011186 -0.00025270 0.00025549
-0.00002330 0.00220210 0.00929107
-19.57432000 0.86066062 25.16444622
-0.00029857 0.00015271 0.00022510
0.00259417 0.03871752 0.00072023
24.02376741 -0.74188653 -7.41867265
-0.00013685 -0.00001773 0.00018348
-0.00331692 -0.00905615 -0.00448750
11.52470606 -9.73442420 -11.18817511
0.00009581 0.00003268 0.00014853
-0.03124281 -0.01746522 -0.00854149
-9.73656709 -9.94102293 16.73085497
-0.00022244 0.00008047 0.00027408
-0.01233651 0.00974689 -0.00660872
7.34798266 0.07847105 -28.61313294
-0.00015779 -0.00036286 -0.00012511
-0.00551036 -0.00046275 -0.00248491
12.59179808 17.78945296 12.26098854
0.00004540 -0.00005435 0.00007845
-0.01359339 -0.01514678 0.02957220
25.97499505 7.49943952 -11.16460902
0.00008655 0.00026792 -0.00000354
-0.00945455 -0.00176704 0.01498438
3.89493433 -29.69835735 -4.90117476
0.00092074 0.00010294 0.00020944
-0.00014986 -0.01972054 0.00813248
3.32119536 -30.51371986 -2.08155238
-0.00024330 0.00098202 0.00036315
0.00023443 -0.01094757 -0.01631321
-9.60795017 3.00224556 -8.87235257
0.00105321 -0.00031232 -0.00000644
-0.00878731 -0.00396266 -0.00123125
-11.61633281 2.70521145 -11.07105068
-0.00029942 0.00063703 -0.00057123
0.00166129 0.00608126 -0.00852302
-36.76656741 3.51415458 2.96800034
0.00006944 -0.00015920 -0.00001050
-0.01137872 -0.01420445 0.01284813
-38.72506846 1.55391083 3.94724714
-0.00031257 -0.00006497 0.00073680
-0.03706774 -0.00940636 -0.00444974
-9.16384452 -4.32271733 1.93222490
-0.00023050 -0.00166007 0.00061682
0.00999886 -0.00087315 0.00045855
-6.30389444 -4.75518774 2.61285086
-0.00029102 -0.00038650 -0.00014099
-0.00627769 0.00067896 0.00105376
3.44743755 -1.29395798 8.92863036
-0.00077115 0.00088423 -0.00025730
-0.00643477 0.00942402 -0.00016329
1.63749214 0.97017802 8.25796824
-0.00073183 -0.00018583 -0.00047859
0.01156233 -0.01105872 0.01751474
-30.81808483 -0.39879393 3.80017620
0.00002025 0.00078866 -0.00045681
0.00274992 0.01835736 -0.01061717
-33.14831799 1.30995844 3.56069550
-0.00057585 -0.00090407 0.00114011
0.01591521 0.00422116 -0.00052111
15.48083302 12.10762229 -18.59255351
-0.00085163 0.00049968 -0.00016946
-0.03841907 -0.04443821 -0.03059057
17.98850249 12.30055271 -17.26981679
0.00016702 -0.00016839 -0.00005847
0.01196464 -0.01789270 -0.00050773
-2.64950938 6.33888011 4.93716967
0.00071289 -0.00110170 -0.00075977
0.00710443 0.01102394 0.01463132
-3.71665386 5.72582206 2.48399308
0.00029233 0.00035793 -0.00127167
0.00238247 -0.01009678 0.00107378
5.86256051 17.10215474 -8.05522032
0.00038689 0.00120475 -0.00045090
0.03366712 -0.00356938 -0.04545392
5.60310763 18.65870474 -5.56336843
0.00017220 0.00013077 0.00110510
0.00519367 -0.01050511 -0.01398375
9.05235252 6.41925365 -22.55784444
-0.00001525 0.00007612 0.00006298
-0.00887065 -0.00341053 -0.01978261
9.71237697 7.52483360 -19.99725189
0.00019140 0.00082470 0.00039592
-0.02002569 0.01035840 -0.00892373
19.67396755 20.35112071 -4.34514346
-0.00023335 0.00114034 -0.00019742
-0.01335200 -0.00269337 0.01635450
21.10198917 19.69898856 -6.49529836
0.00113182 0.00005473 -0.00016115
-0.00893258 -0.02080087 0.00522796
1.69582750 13.00195557 -20.64534622
-0.00082421 0.00038253 0.00061647
0.01366260 0.01499798 -0.00189478
0.25178978 15.11909215 -21.91143775
0.00008642 -0.00086540 0.00035994
0.02231378 0.00637735 0.00498990
9.73141202 -7.19008757 -0.50261794
-0.00022177 -0.00020767 -0.00020650
0.01411436 0.02929237 0.00725727
9.22859589 -4.23605258 -0.36166556
-0.00008897 0.00033559 -0.00002231
0.01882878 -0.01192174 0.00472673
-17.10449636 -6.52246732 6.19255239
-0.00025764 -0.00000776 -0.00009204
0.00385821 -0.00387915 0.01801004
-18.03965738 -5.32367078 3.91160286
-0.00048428 0.00011587 -0.00033510
-0.00259941 0.00262834 -0.01775199
-14.25652343 -0.92485823 19.07039888
0.00008830 0.00043748 -0.00098429
0.00345870 0.00495438 -0.03160055
-15.11921902 -0.19827644 21.60747647
-0.00054551 0.00048581 -0.00014984
0.00032012 -0.00594132 0.01063707
-0.14601540 2.98580891 -3.37672894
0.00029773 0.00030898 -0.00035947
-0.00826447 -0.01305543 0.00231841
1.09892365 2.32098273 -5.98691109
0.00071432 0.00017569 0.00021600
-0.00105784 -0.01574278 0.00244121
20.07085764 -9.05962951 -5.82999693
0.00090804 0.00016305 -0.00011626
0.01213630 0.00451035 0.00199446
22.69342560 -9.30423689 -4.21174262
-0.00160264 0.00060514 -0.00073059
-0.00671550 0.00091152 -0.01174707
4.49362375 -11.19191198 6.57223475
0.00126891 -0.00010079 -0.00061230
0.03813106 -0.01115356 -0.01287496
2.45931064 -11.34197860 8.40786381
-0.00044898 0.00071412 0.00046926
-0.00750986 -0.01025584 0.04239907
-2.59475089 -3.09902837 -20.31231918
-0.00016013 -0.00105182 0.00028402
-0.02240518 -0.04681168 -0.02548159
-2.86602643 -1.49961225 -17.87689380
-0.00058807 -0.00075921 -0.00036497
0.00750663 -0.00708355 -0.01118753
1.07107810 5.70239894 -11.44696540
0.00018819 -0.00018498 0.00046715
0.06368703 0.01125090 0.01011499
-1.05687944 4.34906283 -9.67095656
-0.00022068 0.00025230 0.00048310
0.01562783 0.01923657 -0.02908207
-4.14867715 16.76821111 14.63159701
0.00055229 0.00116915 -0.00005468
0.03045105 0.03683569 0.03252587
-6.60733150 16.08336334 13.59865587
0.00013149 0.00004506 -0.00071949
-0.00462825 -0.00427486 0.00061689
-5.32065540 2.10282968 -6.57418340
0.00045332 -0.00016452 -0.00008361
-0.00037899 -0.00132016 0.00351012
-5.37595151 2.09365693 -9.46450240
0.00068328 -0.00030761 -0.00028290
-0.00681656 -0.00700280 -0.02065694
-9.29154073 -1.68051743 -4.42209433
0.00005233 -0.00041814 0.00004948
0.00756123 0.02888176 0.00795870
-9.50993941 1.06143490 -3.00629358
-0.00031939 -0.00114894 0.00027766
0.01863078 -0.02562635 -0.03004574
2.42007397 28.99872260 4.55051937
-0.00037859 0.00021758 0.00037045
-0.01719717 0.03963371 -0.03746329
2.23600932 28.16489963 7.28878527
-0.00085414 -0.00043140 -0.00089042
0.00962283 -0.00297741 -0.01564847
7.07452643 -9.84540269 -2.96287938
0.00006550 0.00126808 0.00137126
-0.01393183 -0.00398254 0.00401617
8.99121206 -10.99587897 -0.93669821
0.00016950 0.00000197 -0.00076044
-0.00974629 -0.00392399 -0.00710136
-5.43340603 -0.16220992 9.55281033
0.00113347 0.00009156 -0.00081080
0.02484819 -0.02907204 -0.01665430
-8.02264196 0.86490678 9.93706460
0.00026609 0.00099150 -0.00005999
0.00342659 0.00803149 0.00318081
19.15799870 9.68603461 7.62694061
-0.00093502 0.00034304 -0.00018469
-0.00722438 -0.00267555 0.02036068
21.57149026 10.15721314 6.03013525
0.00154017 -0.00018342 -0.00018410
-0.02467529 -0.00978694 -0.00237820
-3.04772822 0.62923689 -22.39482539
-0.00092185 0.00019482 -0.00073848
-0.01192011 -0.00725826 -0.04009139
-5.17900278 0.41814410 -24.55960898
-0.00113411 -0.00067760 -0.00072814
-0.01887651 -0.00027882 0.00165842
-12.82504695 9.54801064 10.66246157
-0.00001274 0.00004206 -0.00001964
0.00499295 0.00143766 -0.00320889
-13.65526186 9.53380912 7.91210364
-0.00084923 0.00007674 -0.00085839
-0.00089684 -0.00176288 -0.00104275
-13.70883867 4.15903836 -4.89638104
0.00046417 0.00069058 0.00075155
0.00667036 0.00620481 0.00999979
-15.02505346 6.62092870 -4.85975792
-0.00059409 -0.00025465 0.00073942
-0.00968889 0.01037078 0.00490804
-5.39952837 -16.06814258 21.04743077
0.00002387 0.00049780 -0.00063652
0.01489254 0.01025475 0.00900897
-2.98131208 -15.33076616 19.60843924
0.00004328 0.00051171 0.00016488
-0.00491754 0.00639861 0.01542356
-6.53621668 6.79416679 -6.59384049
-0.00007810 -0.00032838 -0.00002824
0.00137412 -0.00158851 0.00025787
-7.77938192 9.24916459 -5.53456705
-0.00117384 -0.00053789 -0.00091229
-0.00800731 0.00542582 0.00017223
-20.97345195 30.95727327 0.04911839
-0.00071120 -0.00035982 0.00025626
0.01469245 -0.00582665 0.00380355
-18.00240624 30.44970543 0.70810558
-0.00098795 -0.00085550 -0.00063534
-0.01222250 0.00138791 -0.00149684
9.00000596 3.06915582 6.90062172
-0.00125112 -0.00052177 -0.00045091
0.00746538 0.00002198 0.00560052
9.74459123 5.47518988 8.45683868
-0.00009914 -0.00083988 0.00016917
0.00578356 -0.01696090 -0.00178880
8.49179970 17.81419346 -12.30118075
0.00018319 -0.00023769 0.00008521
0.01264522 0.01326709 -0.01253851
8.62381153 15.18440415 -11.34467244
-0.00027115 0.00028591 -0.00055203
-0.00836182 0.00480842 -0.00183900
12.84575539 5.67198083 -0.01512241
-0.00013662 0.00108768 0.00003062
0.00242260 0.00169105 0.01250988
14.37482523 3.23958527 0.75481827
-0.00036130 -0.00016867 -0.00004606
-0.00950361 -0.00982812 0.02625497
-4.56527639 11.73052335 -2.80959969
-0.00010375 0.00031065 0.00018500
-0.03081126 0.01792534 0.03602329
-5.33366076 10.16115988 -0.73001930
0.00051417 -0.00051683 -0.00115911
-0.00925012 0.00658809 0.00961809
7.73010384 13.18370430 4.74409197
0.00008041 -0.00089574 -0.00005412
0.02453641 -0.04469871 0.00123061
10.21593872 11.30555485 4.55050273
0.00053532 -0.00041373 -0.00000778
-0.01386455 0.00051386 0.00152361
18.91268030 -11.01258085 -8.97132845
0.00118123 0.00080978 -0.00030999
0.01548860 -0.00359186 -0.03074394
20.62837464 -12.88894100 -10.49678926
-0.00062801 0.00097707 0.00060612
-0.00728508 0.01532496 -0.00062843
18.99523653 -4.88949461 -1.79503562
0.00070394 0.00012291 0.00033079
0.00627290 -0.02096762 0.01717070
18.25845866 -7.33374966 -0.22485507
0.00020719 -0.00004345 0.00028560
-0.01079809 -0.01312598 -0.00592995
14.95200563 9.09309640 9.32277997
-0.00103820 -0.00011902 -0.00020788
-0.00577357 0.00357029 -0.00323245
16.60736519 7.81971946 11.29683876
0.00019978 0.00049809 0.00014227
-0.00316707 -0.00345588 -0.00489922
2.76101952 -15.72952472 17.59869785
0.00062636 -0.00082888 -0.00017123
-0.00071072 -0.01926952 -0.01001127
3.26786754 -13.06938671 17.24631889
-0.00007111 0.00005801 -0.00060067
-0.00093853 0.04036499 0.00204666
-4.31677552 -4.31197807 -13.67880730
-0.00090894 -0.00018159 -0.00012545
0.00102914 0.00328986 0.00299247
-2.06981442 -2.27512641 -13.38251932
-0.00013206 0.00001242 0.00010754
0.01600754 -0.00284559 0.00608858
16.03085052 -7.30327782 -14.81758665
0.00018467 0.00011497 0.00058135
0.00499222 -0.01029140 -0.00467432
17.20981914 -7.47845800 -12.02574400
0.00032024 0.00038155 0.00053010
0.00813383 -0.01063258 0.01008392
9.27606822 -4.29683156 5.24367412
-0.00102708 0.00045999 0.00090742
0.01418208 -0.00439237 0.00362149
12.28707569 -4.45339951 5.86089554
-0.00092835 0.00102901 0.00043843
-0.01185001 0.00329700 -0.01282118
-21.02558041 -0.05547679 24.62250711
0.00094951 -0.00057040 0.00068954
-0.01496601 -0.01392293 0.00013206
-20.14687698 2.65591749 25.27048818
0.00018022 0.00055570 -0.00051644
0.00771226 -0.02430032 0.00452665
24.60889379 -2.46665727 -7.04523599
0.00026565 0.00049878 0.00049637
0.00543574 0.00718490 -0.00278623
24.06624715 -0.64475345 -9.26462760
-0.00023942 0.00003542 -0.00059596
-0.00079757 0.00510936 -0.00327918
12.39871098 -10.20620983 -9.71239646
-0.00042689 0.00065948 0.00022030
0.01681490 0.00184740 0.02601240
12.46392399 -8.50619969 -12.06015526
0.00016165 -0.00028392 0.00021860
0.01627999 0.01515481 -0.01114594
-9.28769453 -9.16850192 18.31059139
0.00085702 -0.00028932 0.00044667
0.01603767 -0.00223718 0.00693381
-11.52151068 -9.53916224 16.81289347
0.00112291 0.00072507 0.00047380
0.00151361 -0.00813007 -0.00322358
8.43181104 0.26025282 -30.09043196
0.00067888 -0.00029976 0.00012266
0.00849308 0.00662423 0.00669059
5.69617866 0.59633066 -29.20019418
0.00020994 -0.00118823 -0.00010887
-0.00315790 -0.00211174 0.00316382
12.52448351 19.55482936 12.46180031
0.00029831 0.00070160 -0.00017665
-0.00110805 0.02528114 0.00257529
13.47471008 17.46432123 10.75877248
-0.00128764 0.00076172 -0.00054692
0.01764590 -0.00206171 -0.02907941
27.76553842 7.71651606 -11.54710393
0.00074145 0.00004479 -0.00029146
0.00385040 -0.00086705 -0.00196355
25.78210801 7.17586414 -9.33899087
-0.00055148 -0.00033958 -0.00013767
0.00845998 0.01012016 -0.00987244
-7.05571234 4.55643942 6.67131349
0.00026442 -0.00011425 -0.00009098
-0.00315869 -0.00348256 -0.00635382
-8.88759347 8.71070757 3.87928668
0.00021290 -0.00012431 0.00000659
-0.00589880 -0.00852374 -0.00317840
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07879349
0.31113544
414.57237618
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4115869337 (a.u.)
total exchange computation time: 3.0423860550 s
-154.1043666038
-931.39565429
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4108300598 (a.u.)
total exchange computation time: 3.0410330296 s
-154.1110492670
Anderson extrapolation: theta=1.3421759276 (1.3421759276)
-931.39589446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4097028478 (a.u.)
total exchange computation time: 3.0420680046 s
-154.1206384419
Anderson extrapolation: theta=0.0499453936 (0.0499453936)
-931.39603682
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4095579566 (a.u.)
total exchange computation time: 3.0425789356 s
-154.1216735146
Anderson extrapolation: theta=1.8649121570 (1.8649121570)
-931.39604190
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4092576459 (a.u.)
total exchange computation time: 3.0424828529 s
-154.1237556949
Anderson extrapolation: theta=0.2129287460 (0.2129287460)
-931.39604699
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.4091820735 (a.u.)
total exchange computation time: 3.0430159569 s
-154.1242230742
Anderson extrapolation: theta=1.8717212848 (1.8717212848)
-931.39604795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4090584563 (a.u.)
total exchange computation time: 3.0420310497 s
-154.1249203557
Anderson extrapolation: theta=0.2803818258 (0.2803818258)
-931.39604920
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4090435174 (a.u.)
total exchange computation time: 3.0445530415 s
-154.1249352020
Anderson extrapolation: theta=1.3079114343 (1.3079114343)
-931.39604953
73.803292 23.355606 -294.992095
545.532152 1080.527894 -416.314162
619.335445 1103.883500 -711.306257
1451.926915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4090403272 (a.u.)
total exchange computation time: 3.0424220562 s
679.37104752
-1084.88910116
89.77703769
-388.33773774
-174.90825582
78.88325488
551.60419304
0.00000000
-931.39604982
3.56992728 -31.25161337 -3.84708318
-0.00033334 0.00037278 -0.00010573
0.00796177 0.03226968 0.01388676
-11.18685999 2.18081275 -9.35617657
-0.00017685 -0.00029220 -0.00002652
0.01232202 -0.00325574 0.00471650
-36.99297421 1.96753221 3.98719885
0.00052461 0.00030422 0.00006254
0.04895246 0.02272339 -0.00876108
-7.71892087 -3.63623280 2.93021318
0.00000623 -0.00004348 -0.00025421
-0.01054044 -0.00664849 -0.00352908
2.35043479 -0.02325971 9.68068069
0.00032760 -0.00001595 -0.00009005
-0.01101037 0.00696940 -0.02010239
-31.28362734 1.40614887 3.48942687
-0.00001718 -0.00005107 -0.00001346
-0.01949474 -0.02190552 0.01041293
16.48419366 13.18265318 -17.69099071
0.00028464 -0.00006400 0.00008716
0.02401561 0.07268566 0.03249893
-3.31660738 4.88738296 4.07525286
-0.00019068 -0.00011680 -0.00040719
-0.01114459 -0.00855634 -0.02487147
4.84872978 17.36215399 -6.65849943
-0.00008815 -0.00015513 -0.00027306
-0.03081730 0.01314962 0.05875420
8.29279870 7.43064691 -21.26012157
0.00003880 0.00042469 -0.00022626
0.02292510 -0.00278472 0.02769132
19.91818287 18.80801747 -5.32765948
0.00053575 -0.00009817 0.00005817
0.01905560 0.03340812 -0.01706124
2.04747570 14.66839801 -21.40645286
-0.00005040 -0.00008942 0.00003905
-0.03693465 -0.01864133 0.00060806
10.54388288 -5.52837000 0.04637821
0.00017735 0.00007372 -0.00006963
-0.02513811 -0.01093652 -0.00807232
-16.47180227 -5.57146981 4.79163253
0.00024735 -0.00010339 -0.00014419
-0.00816691 -0.00084461 -0.00067837
-14.20332620 -1.52718581 20.75235291
0.00010075 -0.00000278 0.00010631
-0.01212897 0.01470763 0.01174092
0.70280931 3.64137801 -4.81591903
-0.00056291 -0.00007467 -0.00002493
0.00846029 0.03068714 -0.00249368
20.84639469 -9.56698726 -4.26509970
-0.00032595 0.00003512 -0.00032442
-0.01910250 -0.01145757 0.00662346
2.77268063 -10.85991004 6.74934805
-0.00023140 -0.00001743 -0.00000875
-0.01716322 0.01913613 -0.02581081
-1.85903657 -1.81737727 -19.39355790
-0.00015212 0.00002589 0.00026036
0.01351247 0.04857096 0.02995216
-0.58129991 5.23377475 -11.28979703
-0.00010075 0.00039638 -0.00016430
-0.08899320 -0.03140655 0.02571778
-4.87407924 15.49591614 13.69081577
-0.00003937 -0.00000809 0.00053520
-0.01817135 -0.02988379 -0.01301330
-4.97802519 3.12645988 -8.04071901
-0.00001947 0.00024860 -0.00037445
0.00832336 0.01796400 0.03505371
-8.57692248 0.05846504 -4.35858721
0.00024910 -0.00007197 0.00030440
-0.02152022 -0.00514740 0.02551644
3.00822752 27.78340097 5.64846304
0.00019949 -0.00035431 -0.00007594
0.00877692 -0.03630933 0.04581561
8.64670746 -9.60918666 -2.09609075
-0.00025244 -0.00008334 -0.00001236
0.01951144 0.00193600 0.01067310
-6.25310096 1.37023446 9.99874346
0.00005828 -0.00012369 0.00030181
-0.02819826 0.00939354 -0.00662948
19.77476249 9.54537376 5.94019629
0.00007996 -0.00008085 -0.00033074
0.04796787 0.01805420 -0.01033116
-3.40250373 0.58514971 -24.29115621
0.00021564 -0.00012809 0.00020541
0.01531480 0.00411134 0.03109664
-13.64392755 8.46840915 9.43859295
-0.00005115 0.00008863 -0.00008819
-0.00438833 0.00251975 -0.00673398
-13.72945884 5.73233029 -3.92754364
0.00032873 -0.00028864 -0.00017580
0.00577334 -0.01332035 -0.01062960
-3.78084688 -15.06467335 21.27002254
0.00002979 0.00002215 0.00020105
-0.01085161 -0.01885629 -0.02477185
-6.36151012 8.60660913 -6.45855550
-0.00016040 0.00023707 0.00031328
0.01254498 -0.01241711 -0.00857252
-19.74865520 30.40035358 1.30725903
0.00021415 0.00033755 0.00017335
-0.01000524 0.00550885 -0.00390210
10.27807813 3.69314170 8.11479083
-0.00008957 0.00045124 -0.00001008
-0.01771279 0.00952784 -0.00968414
7.39596536 16.51993745 -11.72120014
-0.00024666 -0.00003408 0.00016828
-0.01305869 -0.01897452 0.02017577
14.05867645 4.42925252 -0.53540042
0.00014622 -0.00048569 0.00047455
0.00110725 0.01728320 -0.04498272
-5.81300602 11.88038110 -1.28181743
-0.00039252 0.00006850 -0.00000685
0.04428117 -0.01715727 -0.04420171
8.38246661 11.33879867 4.92325530
0.00015533 -0.00054499 -0.00001861
-0.01169713 0.04575467 0.00139598
19.88138306 -11.17466829 -10.60554816
0.00009868 -0.00014174 -0.00025399
-0.00899275 -0.00910755 0.02753093
19.25111432 -5.80058178 -0.16871401
0.00011371 0.00026700 0.00012083
0.00292832 0.02255041 -0.01232253
15.89465610 7.57409914 9.62234586
-0.00017468 -0.00018610 0.00006742
0.00179396 0.00658417 0.01147958
3.79905996 -14.62071721 16.58103414
-0.00024207 -0.00004306 0.00006359
0.00633034 -0.01808756 -0.00410096
-3.73068660 -2.55104406 -14.00418952
-0.00030873 0.00007333 -0.00042089
-0.00166564 0.02204893 -0.00971456
16.28042213 -6.45355833 -13.18284204
0.00004796 0.00027738 0.00009227
-0.02376388 -0.00609538 -0.01413152
10.58160232 -4.48215055 6.54662944
0.00010949 -0.00025154 0.00026065
-0.00920796 0.00231270 0.01076124
-19.57878857 0.86310055 25.16782550
-0.00029560 0.00017363 0.00022600
0.00897399 0.04264157 0.00278054
24.02170181 -0.74218743 -7.41593776
-0.00013869 -0.00002172 0.00017978
-0.00383682 -0.00646424 -0.00988942
11.52602269 -9.73400141 -11.18598003
0.00007928 0.00002363 0.00014373
-0.03301624 -0.01771609 -0.01015263
-9.73995128 -9.93977834 16.73494072
-0.00022637 0.00008524 0.00027112
-0.00293432 0.00881089 -0.00493010
7.34559457 0.07302629 -28.61501918
-0.00015923 -0.00036344 -0.00012629
-0.00009160 -0.00176293 -0.00208400
12.59242666 17.78857923 12.26227936
0.00003824 -0.00006022 0.00009417
-0.01425491 -0.00765148 0.03154869
25.97625677 7.50345157 -11.16460426
0.00008259 0.00026708 0.00000387
-0.00594704 -0.00151983 0.01382259
3.90874090 -29.69741750 -4.89778402
0.00091935 0.00002372 0.00024057
-0.00053502 -0.01906028 0.00710747
3.31755309 -30.49932509 -2.07660498
-0.00024231 0.00093356 0.00029078
0.00024652 -0.01277255 -0.01911307
-9.59242136 2.99743927 -8.87248689
0.00100460 -0.00033487 -0.00001515
-0.01500770 -0.00707410 -0.00303221
-11.62077318 2.71495327 -11.07988032
-0.00029014 0.00065840 -0.00059662
0.00287954 0.00437832 -0.00390257
-36.76587443 3.51133135 2.96823659
0.00002401 -0.00021213 0.00003888
-0.01085972 -0.01170407 0.01132078
-38.73089285 1.55264801 3.95816283
-0.00044789 -0.00009963 0.00071881
-0.02917266 -0.00755903 -0.00435679
-9.16699559 -4.34764507 1.94149121
-0.00018809 -0.00166029 0.00061995
0.01075940 0.00076315 0.00107514
-6.30845208 -4.76096440 2.61076835
-0.00031519 -0.00038363 -0.00013598
-0.00555382 0.00072608 0.00139832
3.43567305 -1.28040571 8.92476579
-0.00078567 0.00090896 -0.00026477
-0.00066819 0.00267931 -0.00349314
1.62686900 0.96705175 8.25132608
-0.00068205 -0.00023400 -0.00040077
0.01280428 -0.01252253 0.02057914
-30.81769676 -0.38640155 3.79299872
0.00003512 0.00085309 -0.00049829
0.00452704 0.01318386 -0.00968790
-33.15646804 1.29652672 3.57778123
-0.00050312 -0.00088484 0.00113667
0.01968676 0.00519403 -0.00116254
15.46688131 12.11375576 -18.59603276
-0.00100040 0.00032561 -0.00028769
-0.03440388 -0.04077112 -0.02728406
17.99137444 12.29747861 -17.27070940
0.00021590 -0.00024328 -0.00006131
0.01196342 -0.01877019 -0.00088184
-2.63859833 6.32269241 4.92622151
0.00074498 -0.00104910 -0.00069560
0.00860547 0.01472592 0.01678073
-3.71219591 5.73088157 2.46495096
0.00030434 0.00031165 -0.00125653
0.00349454 -0.01255417 0.00633447
5.86939557 17.12011663 -8.06337662
0.00052106 0.00119145 -0.00063160
0.03200700 -0.00294206 -0.04300283
5.60584976 18.66034441 -5.54722048
0.00018720 0.00007749 0.00103883
0.00214831 -0.01557645 -0.01845257
9.05185195 6.42029091 -22.55750598
-0.00005065 0.00006196 -0.00001739
-0.00845961 -0.00351983 -0.01955611
9.71463427 7.53752144 -19.99158656
0.00010573 0.00086571 0.00035467
-0.02190865 0.00971660 -0.01126997
19.67005808 20.36814333 -4.34760363
-0.00028520 0.00111754 -0.00013814
-0.01202573 -0.00846705 0.01266301
21.11869268 19.69917209 -6.49755534
0.00109119 -0.00003247 -0.00013498
-0.01095169 -0.02188495 0.00758221
1.68388296 13.00815317 -20.63615723
-0.00076606 0.00044175 0.00060928
0.01480385 0.01398721 -0.00162401
0.25376984 15.10630660 -21.90588573
0.00017369 -0.00083551 0.00037784
0.02040726 0.00825437 0.00377416
9.72851795 -7.19230504 -0.50549302
-0.00016245 -0.00008519 -0.00017588
0.01492283 0.03066543 0.00772821
9.22783828 -4.23138402 -0.36185531
-0.00000932 0.00028454 -0.00000209
0.02015952 -0.01307031 0.00516984
-17.10824267 -6.52270263 6.19172375
-0.00024062 -0.00002213 -0.00002075
0.00447035 -0.00315567 0.01688497
-18.04700121 -5.32185223 3.90603237
-0.00048405 0.00012496 -0.00040166
0.00271284 0.00182500 -0.01482897
-14.25509298 -0.91814422 19.05466612
0.00010279 0.00045097 -0.00109391
0.00363346 0.00164879 -0.02205576
-15.12739183 -0.19117135 21.60555484
-0.00053978 0.00045530 -0.00011054
0.00248257 -0.00899172 0.00859776
-0.14180274 2.99004353 -3.38204995
0.00025758 0.00024982 -0.00033888
-0.01138955 -0.01590109 0.00776142
1.10960605 2.32313570 -5.98359628
0.00070988 0.00011049 0.00022603
-0.00111598 -0.01617251 0.00247005
20.08485011 -9.05704555 -5.83167974
0.00095047 0.00018421 -0.00011665
0.00863369 0.00584554 -0.00218447
22.66918021 -9.29513185 -4.22306137
-0.00161395 0.00061045 -0.00077564
0.00117887 0.00168838 -0.01030913
4.51382578 -11.19376556 6.56265578
0.00139370 -0.00014131 -0.00065957
0.02295759 -0.00868460 -0.01026649
2.45234580 -11.33158102 8.41620199
-0.00047601 0.00067411 0.00063557
-0.00572343 -0.00932965 0.03900770
-2.59783946 -3.11624020 -20.30883979
-0.00024284 -0.00122999 0.00018841
-0.01808207 -0.04040032 -0.02131578
-2.87461744 -1.51121747 -17.88271114
-0.00055992 -0.00078584 -0.00040482
0.00627105 -0.00595183 -0.00832193
1.07585257 5.69996902 -11.43964823
0.00044528 -0.00013976 0.00050805
0.06215619 0.01088265 0.00990779
-1.05971069 4.35343679 -9.66460122
-0.00015614 0.00033365 0.00035831
0.01596254 0.02058687 -0.03200612
-4.13945961 16.78687708 14.63177349
0.00066809 0.00130738 0.00006826
0.02623333 0.03082870 0.02765417
-6.60550094 16.08390832 13.58788237
0.00011204 0.00002890 -0.00071600
-0.00489587 -0.00363740 0.00109562
-5.31386726 2.10032144 -6.57532991
0.00045308 -0.00016607 -0.00007420
0.00026156 0.00056213 0.00109483
-5.36591120 2.08882826 -9.46937890
0.00065561 -0.00033515 -0.00036628
-0.00672773 -0.00647903 -0.02015608
-9.29052407 -1.68590458 -4.42110824
0.00008571 -0.00029682 0.00008138
0.00878001 0.03050842 0.00765814
-9.51415941 1.04341547 -3.00304934
-0.00024437 -0.00124969 0.00015777
0.01809281 -0.02368854 -0.02864199
2.41386822 29.00320086 4.55492812
-0.00044482 0.00037305 0.00022133
-0.01522328 0.03646936 -0.03553404
2.22349215 28.15833745 7.27494952
-0.00081604 -0.00044409 -0.00094797
0.00902508 -0.00323497 -0.01252334
7.07508207 -9.82650354 -2.94218736
-0.00000705 0.00124887 0.00137907
-0.02158292 -0.00541929 -0.00019256
8.99345592 -10.99596962 -0.94832247
0.00013025 -0.00001902 -0.00078521
-0.00946492 -0.00635380 -0.00502155
-5.41564256 -0.16172736 9.54013802
0.00122728 -0.00001936 -0.00087672
0.02107178 -0.02522268 -0.01561485
-8.01854561 0.88002539 9.93626229
0.00027452 0.00101989 -0.00004745
0.00069852 0.00586718 0.00295291
19.14375198 9.69109817 7.62479416
-0.00095951 0.00033156 -0.00011033
-0.00476050 -0.00294217 0.01603962
21.59383664 10.15416189 6.02730087
0.00142485 -0.00022728 -0.00019274
-0.03177085 -0.01168282 -0.00184911
-3.06192123 0.63193672 -22.40713105
-0.00096716 0.00016510 -0.00088945
-0.01025803 -0.00728919 -0.03381292
-5.19659284 0.40797150 -24.57048033
-0.00118669 -0.00067630 -0.00071794
-0.00686464 0.00091559 0.00333522
-12.82508498 9.54868561 10.66206865
0.00000715 0.00004834 -0.00003430
0.00474339 0.00163539 -0.00396547
-13.66802787 9.53490617 7.89919580
-0.00085160 0.00006576 -0.00085503
-0.00025951 -0.00361240 0.00268727
-13.70167166 4.16958722 -4.88480143
0.00049157 0.00069989 0.00078168
0.00674106 -0.00165040 0.00475027
-15.03426173 6.61742667 -4.84851626
-0.00063098 -0.00021437 0.00076058
-0.00836637 0.00934806 0.00545223
-5.39871402 -16.06036132 21.03815898
0.00008287 0.00053781 -0.00059858
0.01399013 0.00932895 0.00956519
-2.98081358 -15.32289443 19.61138510
0.00002421 0.00053760 0.00022708
-0.00441624 0.00627616 0.01502420
-6.53734604 6.78919243 -6.59425622
-0.00007118 -0.00032604 -0.00002713
0.00201280 0.00273436 0.00028453
-7.79723490 9.24126255 -5.54824607
-0.00120747 -0.00051439 -0.00091076
-0.00845579 0.00607530 0.00057650
-20.98366968 30.95169749 0.05307890
-0.00064750 -0.00038512 0.00027498
0.01648800 -0.00656130 0.00535697
-18.01760007 30.43691546 0.69852964
-0.00102492 -0.00084907 -0.00064585
-0.00587501 0.00176158 -0.00364995
8.98146798 3.06132989 6.89402974
-0.00120895 -0.00051522 -0.00041773
0.01317733 0.00318417 0.01063959
9.74328140 5.46207196 8.45932140
-0.00007956 -0.00089544 0.00016354
0.00380008 -0.01023659 -0.00096635
8.49493504 17.81103469 -12.30028676
0.00023221 -0.00018466 0.00003481
0.01135046 0.01268883 -0.01213475
8.61948799 15.18884019 -11.35300922
-0.00030221 0.00030005 -0.00055750
-0.00684028 0.00211198 -0.00083878
12.84378030 5.68834792 -0.01427972
-0.00011427 0.00108084 0.00007746
0.00852077 -0.00504109 0.01041638
14.36911453 3.23675411 0.75493191
-0.00039890 -0.00021525 0.00006988
-0.00890054 -0.01297556 0.03049896
-4.56777675 11.73573245 -2.80572087
-0.00022993 0.00038533 0.00033011
-0.03095429 0.01862918 0.03501220
-5.32623169 10.15360933 -0.74711124
0.00047400 -0.00048593 -0.00111912
-0.01041023 0.00853894 0.00995531
7.73206190 13.16889843 4.74331782
0.00017957 -0.00107461 -0.00004940
0.02400010 -0.04285830 0.00108211
10.22354371 11.29936467 4.55043268
0.00047490 -0.00041200 -0.00000066
-0.01571456 0.00033419 0.00196155
18.93087343 -11.00054421 -8.97692038
0.00124000 0.00079657 -0.00043021
0.01327841 -0.00287243 -0.02810635
20.61873132 -12.87381531 -10.48771675
-0.00064986 0.00102374 0.00060279
-0.00341162 0.00751739 -0.00100110
19.00598779 -4.88829347 -1.78954765
0.00072829 0.00003944 0.00039648
0.00564795 -0.01989231 0.01498745
18.26123555 -7.33480361 -0.22075278
0.00016472 -0.00009341 0.00026105
-0.00998830 -0.01132994 -0.00608824
14.93625572 9.09142057 9.31956270
-0.00105687 -0.00011208 -0.00021912
-0.00336446 -0.00017648 -0.00227056
16.61026477 7.82708489 11.29882271
0.00018480 0.00048360 0.00011825
-0.00416370 -0.00363580 -0.00686202
2.77039311 -15.74254839 17.59582267
0.00062141 -0.00090580 -0.00021035
-0.00170925 -0.01838365 -0.00913863
3.26677214 -13.06727960 17.23737158
-0.00007690 0.00022364 -0.00059022
-0.00189856 0.04071187 0.00306598
-4.33037805 -4.31460108 -13.68059729
-0.00090333 -0.00016449 -0.00011364
0.00171546 0.00507767 0.00278704
-2.07130486 -2.27502724 -13.38071960
-0.00007284 -0.00000066 0.00013006
0.01298346 -0.00355908 0.00493226
16.03377350 -7.30186858 -14.80900958
0.00020452 0.00007084 0.00055770
0.00472568 -0.01131380 -0.00690562
17.21487202 -7.47306050 -12.01748353
0.00035016 0.00034194 0.00056760
0.00651116 -0.00875939 0.00827415
9.26109656 -4.29006629 5.25739644
-0.00096457 0.00044134 0.00092551
0.01641856 -0.00473748 0.00522966
12.27278730 -4.43786339 5.86707908
-0.00096259 0.00104270 0.00037983
-0.00490974 0.00340519 -0.01586525
-21.01179643 -0.06445939 24.63285425
0.00087728 -0.00063205 0.00068629
-0.02038928 -0.01625702 -0.00172489
-20.14393736 2.66350831 25.26288036
0.00021031 0.00045343 -0.00049805
0.00701609 -0.02575851 0.00447211
24.61304510 -2.45895534 -7.03787588
0.00028929 0.00052394 0.00048491
0.00613698 0.00512962 -0.00282392
24.06263135 -0.64406556 -9.27366754
-0.00024247 0.00005509 -0.00059883
-0.00069147 0.00452088 0.00187800
12.39282286 -10.19626095 -9.70829489
-0.00035583 0.00066549 0.00033145
0.01796953 0.00109485 0.02839966
12.46684767 -8.50999415 -12.05721779
0.00022960 -0.00021990 0.00017143
0.01697821 0.01618639 -0.01194580
-9.27434785 -9.17291034 18.31750385
0.00092150 -0.00030078 0.00047068
0.01552999 -0.00336939 0.00482030
-11.50462068 -9.52853533 16.81990164
0.00111071 0.00069590 0.00046125
-0.00748581 -0.00614928 -0.00291956
8.44225444 0.25595934 -30.08838707
0.00071038 -0.00027246 0.00015287
0.00692966 0.00674334 0.00809836
5.69923096 0.57844245 -29.20173023
0.00018960 -0.00119397 -0.00009955
-0.00679851 -0.00069769 0.00139720
12.52892427 19.56612800 12.45922944
0.00029372 0.00079139 -0.00016664
-0.00114102 0.01867426 0.00232464
13.45593615 17.47568381 10.74967765
-0.00121449 0.00075161 -0.00066906
0.01816113 -0.00288442 -0.03070979
27.77677816 7.71716140 -11.55153593
0.00074870 0.00004027 -0.00029658
-0.00030303 -0.00134940 -0.00054368
25.77409504 7.17108061 -9.34135846
-0.00051511 -0.00029760 -0.00017831
0.00934198 0.01042509 -0.01002210
-7.05175450 4.55471628 6.66993169
0.00026331 -0.00011548 -0.00009326
-0.00302839 -0.00340184 -0.00636911
-8.88441029 8.70882813 3.87937992
0.00021150 -0.00012626 0.00000584
-0.00614061 -0.00831705 -0.00325153
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07882660
0.31722322
422.68403797
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4006663368 (a.u.)
total exchange computation time: 3.0313479900 s
-154.0574489080
-931.40062123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4000633157 (a.u.)
total exchange computation time: 3.0267219543 s
-154.0628727444
Anderson extrapolation: theta=1.3559324299 (1.3559324299)
-931.40084884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3991278898 (a.u.)
total exchange computation time: 3.0265550613 s
-154.0708861023
Anderson extrapolation: theta=0.0559971587 (0.0559971587)
-931.40098817
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3989813786 (a.u.)
total exchange computation time: 3.0283060074 s
-154.0719152065
Anderson extrapolation: theta=2.1412490777 (2.0000000000)
-931.40099493
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3986566098 (a.u.)
total exchange computation time: 3.0275468826 s
-154.0741179653
Anderson extrapolation: theta=0.3440768811 (0.3440768811)
-931.40100403
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3985392854 (a.u.)
total exchange computation time: 3.0295960903 s
-154.0748399376
Anderson extrapolation: theta=1.5804300621 (1.5804300621)
-931.40100684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3983817885 (a.u.)
total exchange computation time: 3.0268568993 s
-154.0757176578
Anderson extrapolation: theta=0.4506923259 (0.4506923259)
-931.40101027
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3983435073 (a.u.)
total exchange computation time: 3.0271329880 s
-154.0758318241
Anderson extrapolation: theta=1.0421699585 (1.0421699585)
-931.40101155
73.822935 23.319894 -295.097451
545.487277 1080.574659 -416.337007
619.310212 1103.894553 -711.434458
1451.987366
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3983314970 (a.u.)
total exchange computation time: 3.0266900063 s
679.20095191
-1084.52115468
89.78835806
-388.59028203
-174.88055424
78.68075797
551.60419304
0.00000000
-931.40101248
3.56495791 -31.24589721 -3.84861558
-0.00032916 0.00038943 -0.00009771
0.00827875 0.03246885 0.01730435
-11.18946516 2.17641715 -9.35655619
-0.00016937 -0.00029280 -0.00002489
0.01675364 0.00094422 0.00164027
-36.98491626 1.97218316 3.98810320
0.00054731 0.00031456 0.00005857
0.03933895 0.01747515 -0.00668408
-7.71886802 -3.63691072 2.92638646
0.00000040 -0.00004727 -0.00025626
-0.01216020 -0.00805445 -0.00445177
2.35530632 -0.02347200 9.67925239
0.00032013 -0.00001027 -0.00009999
-0.01803242 0.01508938 -0.01853927
-31.28396018 1.40529827 3.48926512
-0.00002856 -0.00006112 -0.00000814
-0.02476121 -0.01718111 0.01029008
16.48855589 13.18197361 -17.68955795
0.00029568 -0.00002780 0.00010278
0.01893444 0.06808331 0.02825779
-3.31951052 4.88559800 4.06904902
-0.00019701 -0.00012143 -0.00042161
-0.01347811 -0.00946566 -0.03118460
4.84728873 17.35987777 -6.66236864
-0.00010248 -0.00014747 -0.00024294
-0.02493298 0.01665170 0.05835438
8.29346907 7.43700658 -21.26340870
0.00005091 0.00042336 -0.00021169
0.02417151 -0.00239159 0.02898385
19.92629257 18.80667384 -5.32685278
0.00054561 -0.00007941 0.00004982
0.01928578 0.03954498 -0.01538778
2.04657719 14.66698473 -21.40586475
-0.00006901 -0.00009907 0.00003960
-0.03543304 -0.01887513 0.00153100
10.54644616 -5.52730635 0.04530257
0.00016405 0.00006798 -0.00007394
-0.02659630 -0.01138643 -0.00868945
-16.46812347 -5.57302390 4.78946707
0.00024165 -0.00010385 -0.00014491
-0.01401320 -0.00093799 -0.00213603
-14.20186175 -1.52717079 20.75399279
0.00009393 0.00000636 0.00011032
-0.01437819 0.02085120 0.00387607
0.69439825 3.64037626 -4.81630262
-0.00055772 -0.00005820 -0.00002764
0.01171347 0.03336726 -0.00802774
20.84143178 -9.56650459 -4.26994047
-0.00033700 0.00002866 -0.00032021
-0.02388022 -0.01367059 0.00976567
2.76914338 -10.86009762 6.74911718
-0.00023699 -0.00000855 -0.00002147
-0.00457560 0.01538466 -0.02365395
-1.86126629 -1.81680153 -19.38953696
-0.00014598 0.00004859 0.00027368
0.01036265 0.03967928 0.02182936
-0.58315448 5.23959934 -11.29216236
-0.00014536 0.00038030 -0.00015063
-0.08447760 -0.03111851 0.02744485
-4.87473987 15.49567946 13.69879356
-0.00004741 -0.00002177 0.00052974
-0.01308441 -0.02327967 -0.00822056
-4.97828514 3.13025813 -8.04620054
-0.00001543 0.00025717 -0.00035601
0.00736970 0.01536646 0.03665242
-8.57326894 0.05736568 -4.35392281
0.00023808 -0.00007549 0.00031711
-0.02135969 -0.00855754 0.02391549
3.01125366 27.77794628 5.64750069
0.00020352 -0.00037171 -0.00005414
0.00690411 -0.03134083 0.03896584
8.64299615 -9.61042930 -2.09623504
-0.00024057 -0.00008137 -0.00000643
0.02662803 0.00570817 0.01238543
-6.25233555 1.36841529 10.00324502
0.00004561 -0.00011961 0.00029804
-0.02107832 0.00647678 -0.00803948
19.77614698 9.54423063 5.93519536
0.00010553 -0.00007112 -0.00033496
0.05145702 0.01978609 -0.00608760
-3.39921009 0.58324422 -24.28795514
0.00022006 -0.00012629 0.00021892
0.00187612 0.00289192 0.02143340
-13.64471167 8.46974829 9.43724408
-0.00005355 0.00009034 -0.00009233
-0.00494495 0.00413657 -0.00935562
-13.72450557 5.72794930 -3.93022164
0.00033123 -0.00029292 -0.00018002
0.00395182 -0.00330762 -0.00576628
-3.78044191 -15.06441389 21.27294268
0.00002432 0.00001276 0.00018838
-0.01043288 -0.01765765 -0.02446852
-6.36386779 8.61011722 -6.45388937
-0.00015407 0.00022950 0.00030885
0.01208843 -0.01701542 -0.00866781
-19.74548152 30.40543813 1.30984425
0.00020691 0.00034052 0.00017163
-0.01815753 0.00603755 -0.00278331
10.27666620 3.69994705 8.11460229
-0.00009938 0.00045344 -0.00001648
-0.02042253 -0.00095755 -0.01521301
7.39221511 16.51935310 -11.71859805
-0.00025336 -0.00004277 0.00017826
-0.01302104 -0.01481176 0.01860468
14.06087400 4.42203388 -0.52845572
0.00014527 -0.00047442 0.00045092
-0.00480850 0.02654589 -0.04688517
-5.81872300 11.88134248 -1.28209072
-0.00036954 0.00005908 -0.00002926
0.04508643 -0.01948298 -0.04294079
8.38475141 11.33080028 4.92298146
0.00014992 -0.00052211 -0.00001789
-0.00933746 0.04323881 0.00141787
19.88282853 -11.17682946 -10.60925185
0.00009364 -0.00014438 -0.00024065
-0.01057986 -0.00117950 0.02433866
19.25283133 -5.79648982 -0.16694911
0.00011506 0.00027764 0.00011521
0.00230545 0.01881970 -0.00953654
15.89204275 7.57133305 9.62340144
-0.00017417 -0.00018170 0.00007350
0.00020640 0.01050775 0.01217171
3.79545330 -14.62143281 16.58197222
-0.00023845 -0.00005237 0.00006125
0.00774972 -0.01815163 -0.00501967
-3.73532396 -2.54985906 -14.01054038
-0.00030885 0.00008456 -0.00042545
0.00119998 0.02160780 -0.00801859
16.28104985 -6.44942119 -13.18151246
0.00003629 0.00027391 0.00008608
-0.02161891 -0.00738947 -0.00995924
10.58320910 -4.48591471 6.55058063
0.00010241 -0.00025037 0.00026664
-0.01832303 0.00224959 0.01256068
-19.58318791 0.86586944 25.17122623
-0.00028946 0.00019630 0.00022797
0.01488909 0.04552422 0.00488744
24.01960661 -0.74253820 -7.41327917
-0.00014082 -0.00002435 0.00017336
-0.00441549 -0.00377272 -0.01507733
11.52708460 -9.73371530 -11.18386328
0.00006214 0.00001454 0.00013822
-0.03366384 -0.01763453 -0.01125458
-9.74335811 -9.93846577 16.73898843
-0.00022534 0.00008949 0.00026904
0.00692623 0.00772916 -0.00313840
7.34320577 0.06756793 -28.61692150
-0.00015789 -0.00036466 -0.00012723
0.00529412 -0.00299940 -0.00158378
12.59294526 17.78764647 12.26381357
0.00003094 -0.00006222 0.00011055
-0.01413151 -0.00013454 0.03217540
25.97747261 7.50745189 -11.16449287
0.00008039 0.00026637 0.00001062
-0.00257429 -0.00125469 0.01242253
3.92251469 -29.69764578 -4.89395769
0.00091660 -0.00005202 0.00026706
-0.00080803 -0.01801623 0.00585891
3.31392593 -30.48571310 -2.07282894
-0.00024138 0.00087811 0.00020796
0.00021150 -0.01437194 -0.02142996
-9.57781231 2.99219944 -8.87280704
0.00093204 -0.00036926 -0.00003066
-0.02050822 -0.00976020 -0.00456278
-11.62503707 2.72496342 -11.08894914
-0.00027598 0.00067269 -0.00060334
0.00405266 0.00261956 0.00060954
-36.76584699 3.50779082 2.96916665
-0.00001907 -0.00025376 0.00008129
-0.01023016 -0.00867591 0.00943849
-38.73850512 1.55092193 3.96881152
-0.00054934 -0.00012639 0.00070110
-0.02048719 -0.00554080 -0.00431561
-9.16948726 -4.37252604 1.95082343
-0.00014278 -0.00165378 0.00062545
0.01142004 0.00242576 0.00161753
-6.31335008 -4.76669656 2.60877153
-0.00033615 -0.00038071 -0.00012957
-0.00470697 0.00070413 0.00173808
3.42386760 -1.26668924 8.92068715
-0.00077600 0.00090532 -0.00028654
0.00539955 -0.00445985 -0.00716133
1.61703059 0.96315802 8.24594514
-0.00062782 -0.00028709 -0.00031220
0.01374030 -0.01346399 0.02277748
-30.81703125 -0.37320118 3.78522752
0.00005759 0.00089510 -0.00053580
0.00647180 0.00737729 -0.00867370
-33.16341156 1.28341332 3.59479571
-0.00041624 -0.00086165 0.00113055
0.02284219 0.00615560 -0.00183645
15.45082111 12.11739052 -18.60118415
-0.00112931 0.00016972 -0.00038939
-0.02870010 -0.03553718 -0.02250086
17.99497959 12.29325416 -17.27165606
0.00026372 -0.00032110 -0.00006593
0.01144521 -0.01932137 -0.00138091
-2.62715989 6.30740721 4.91630178
0.00078270 -0.00098275 -0.00062357
0.00985584 0.01775276 0.01847797
-3.70752380 5.73517169 2.44629707
0.00032054 0.00025596 -0.00122090
0.00443733 -0.01470740 0.01110802
5.87819221 17.13789822 -8.07416839
0.00064534 0.00118116 -0.00079827
0.02883273 -0.00209606 -0.03858452
5.60872355 18.66102945 -5.53220341
0.00019058 0.00000505 0.00095551
-0.00049433 -0.01988140 -0.02233312
9.05083293 6.42111245 -22.55836604
-0.00008465 0.00004787 -0.00009610
-0.00818065 -0.00337879 -0.01897267
9.71554887 7.55080477 -19.98661192
0.00001337 0.00090399 0.00030454
-0.02330275 0.00902190 -0.01326785
19.66541160 20.38464703 -4.34928773
-0.00033146 0.00107171 -0.00009355
-0.01062149 -0.01396905 0.00916733
21.13472500 19.69801436 -6.49934764
0.00104310 -0.00012333 -0.00009995
-0.01259076 -0.02258757 0.00956179
1.67284568 13.01520799 -20.62706777
-0.00070354 0.00049605 0.00060361
0.01580049 0.01259401 -0.00115209
0.25700057 15.09402693 -21.90010240
0.00025222 -0.00079792 0.00039056
0.01803254 0.01014360 0.00244809
9.72653843 -7.19264315 -0.50789447
-0.00010040 0.00004156 -0.00014372
0.01545142 0.03137795 0.00801764
9.22831616 -4.22751649 -0.36172822
0.00007485 0.00022969 0.00001966
0.02104644 -0.01377658 0.00547713
-17.11171502 -6.52313133 6.19192992
-0.00022095 -0.00003307 0.00004514
0.00516123 -0.00219870 0.01536782
-18.05417878 -5.31992184 3.89955307
-0.00046235 0.00013068 -0.00045621
0.00790838 0.00097041 -0.01187221
-14.25343985 -0.91132916 19.03758165
0.00011783 0.00045109 -0.00116450
0.00373287 -0.00159049 -0.01249815
-15.13541248 -0.18461733 21.60416013
-0.00052543 0.00041280 -0.00007942
0.00454213 -0.01181347 0.00663715
-0.13828809 2.99330363 -3.38689529
0.00020516 0.00017949 -0.00029664
-0.01427081 -0.01852734 0.01291401
1.12022007 2.32429751 -5.98013010
0.00070502 0.00004432 0.00023672
-0.00126398 -0.01621819 0.00276025
20.09937170 -9.05410335 -5.83349642
0.00097837 0.00021086 -0.00013443
0.00502283 0.00720003 -0.00651710
22.64500706 -9.28592333 -4.23501192
-0.00159217 0.00061917 -0.00081468
0.00948323 0.00257899 -0.00879823
4.53543479 -11.19615137 6.55244761
0.00145720 -0.00017195 -0.00069600
0.00812682 -0.00631351 -0.00756400
2.44503019 -11.32175522 8.42693080
-0.00049508 0.00063861 0.00078482
-0.00360963 -0.00804979 0.03405272
-2.60203620 -3.13592801 -20.30666675
-0.00030651 -0.00137928 0.00011144
-0.01308370 -0.03267875 -0.01636343
-2.88282413 -1.52318746 -17.88903850
-0.00053738 -0.00080770 -0.00043222
0.00476549 -0.00474694 -0.00508796
1.08443636 5.69820605 -11.43172384
0.00068982 -0.00009766 0.00054838
0.05754983 0.00972707 0.00983311
-1.06156366 4.35907243 -9.66020741
-0.00009097 0.00041934 0.00022363
0.01593819 0.02135709 -0.03391910
-4.12863433 16.80743242 14.63364479
0.00076510 0.00141850 0.00016990
0.02125384 0.02356558 0.02209811
-6.60397043 16.08423037 13.57717602
0.00009181 0.00001537 -0.00071052
-0.00500687 -0.00298720 0.00158465
-5.30706308 2.09784764 -6.57640933
0.00045536 -0.00016003 -0.00007454
0.00085345 0.00239491 -0.00126136
-5.35628321 2.08360252 -9.47549068
0.00062860 -0.00035957 -0.00044630
-0.00649379 -0.00547540 -0.01901645
-9.28896932 -1.68942198 -4.41965281
0.00012350 -0.00017051 0.00011190
0.00971491 0.03132174 0.00727888
-9.51727056 1.02394427 -3.00156046
-0.00017255 -0.00134143 0.00004505
0.01706476 -0.02121859 -0.02653702
2.40672948 29.00991419 4.55715913
-0.00050122 0.00051217 0.00008302
-0.01238547 0.03163052 -0.03216499
2.21152809 28.15157700 7.26034625
-0.00078101 -0.00045762 -0.00099187
0.00812190 -0.00339069 -0.00896518
7.07431498 -9.80793652 -2.92150714
-0.00011015 0.00122428 0.00137039
-0.02888725 -0.00662101 -0.00406082
8.99511971 -10.99644968 -0.96025449
0.00009229 -0.00005009 -0.00080138
-0.00911693 -0.00885155 -0.00289179
-5.39658767 -0.16279061 9.52650874
0.00130453 -0.00011303 -0.00093774
0.01674258 -0.02063061 -0.01425599
-8.01440645 0.89550359 9.93564096
0.00027135 0.00103938 -0.00003596
-0.00224889 0.00367119 0.00267486
19.12921351 9.69598141 7.62363072
-0.00097347 0.00031880 -0.00005460
-0.00207503 -0.00330179 0.01124190
21.61423590 10.15039465 6.02435317
0.00128317 -0.00027789 -0.00019915
-0.03758240 -0.01309102 -0.00129113
-3.07674291 0.63418983 -22.42150897
-0.00100530 0.00013543 -0.00101202
-0.00841400 -0.00723533 -0.02618425
-5.21460360 0.39785501 -24.58114728
-0.00119175 -0.00067007 -0.00070098
0.00439033 0.00213332 0.00497004
-12.82483231 9.54946081 10.66143269
0.00002602 0.00005540 -0.00005202
0.00449021 0.00182149 -0.00471247
-13.68080977 9.53578184 7.88645265
-0.00085128 0.00004748 -0.00083678
0.00041567 -0.00533473 0.00624803
-13.69409152 4.18003493 -4.87293069
0.00051923 0.00067571 0.00078952
0.00679904 -0.01018579 -0.00090978
-15.04398274 6.61449754 -4.83694045
-0.00066192 -0.00017873 0.00078416
-0.00678157 0.00809652 0.00609094
-5.39704227 -16.05200833 21.02947341
0.00013752 0.00057362 -0.00055856
0.01275939 0.00820136 0.01002314
-2.98058574 -15.31463806 19.61525174
0.00000761 0.00056284 0.00028674
-0.00370964 0.00607943 0.01417628
-6.53835203 6.78438565 -6.59465451
-0.00006171 -0.00030661 -0.00002590
0.00262235 0.00677822 0.00032070
-7.81560611 9.23373284 -5.56188977
-0.00124203 -0.00048870 -0.00090818
-0.00846135 0.00649924 0.00068302
-20.99287691 30.94571959 0.05736771
-0.00057723 -0.00041308 0.00029941
0.01790985 -0.00712605 0.00660482
-18.03315396 30.42423345 0.68873000
-0.00103546 -0.00084142 -0.00066546
0.00071728 0.00197916 -0.00595020
8.96373759 3.05369911 6.88808983
-0.00114490 -0.00049637 -0.00036554
0.01817257 0.00604258 0.01490760
9.74220447 5.44832668 8.46174490
-0.00006866 -0.00092198 0.00016166
0.00153600 -0.00275554 0.00004555
8.49876601 17.80865356 -12.30013647
0.00027496 -0.00013519 -0.00001339
0.00957393 0.01153102 -0.01146016
8.61474524 15.19340565 -11.36139742
-0.00032662 0.00030279 -0.00055883
-0.00510794 -0.00077212 0.00018571
12.84232742 5.70440606 -0.01279866
-0.00006808 0.00104730 0.00011619
0.01408826 -0.01137563 0.00854099
14.36285835 3.23312773 0.75691472
-0.00043442 -0.00027335 0.00020153
-0.00848912 -0.01546618 0.03394477
-4.57217419 11.74208326 -2.79969628
-0.00035548 0.00046262 0.00046959
-0.03050549 0.01920659 0.03326039
-5.31944062 10.14658210 -0.76359305
0.00042920 -0.00044743 -0.00107765
-0.01151994 0.01030584 0.01034581
7.73549084 13.15146594 4.74261000
0.00027567 -0.00124385 -0.00004546
0.02304472 -0.03998605 0.00084618
10.23018562 11.29319497 4.55048284
0.00040767 -0.00041111 0.00000811
-0.01719461 0.00010000 0.00233288
18.94988033 -10.98868362 -8.98423485
0.00128889 0.00078669 -0.00053805
0.01065113 -0.00196757 -0.02467977
20.60887891 -12.85822891 -10.47870558
-0.00065524 0.00103685 0.00059823
0.00077758 -0.00109719 -0.00123158
19.01708518 -4.88831145 -1.78314116
0.00074996 -0.00003885 0.00045199
0.00495929 -0.01843221 0.01218561
18.26340029 -7.33655192 -0.21702363
0.00012613 -0.00013522 0.00023600
-0.00890103 -0.00913663 -0.00617117
14.92029963 9.08973393 9.31620629
-0.00106565 -0.00012030 -0.00022639
-0.00093650 -0.00384683 -0.00128775
16.61290918 7.83422750 11.30038611
0.00016595 0.00046842 0.00008677
-0.00506361 -0.00379740 -0.00854637
2.77966194 -15.75669873 17.59238742
0.00061256 -0.00097853 -0.00024611
-0.00262521 -0.01721717 -0.00836901
3.26556039 -13.06267743 17.22861216
-0.00008581 0.00038770 -0.00057661
-0.00246204 0.03959736 0.00359627
-4.34387544 -4.31691290 -13.68221648
-0.00089505 -0.00014038 -0.00010265
0.00233870 0.00672546 0.00259325
-2.07199960 -2.27514619 -13.37861760
-0.00002667 -0.00001671 0.00014751
0.00961841 -0.00429789 0.00360850
16.03698610 -7.30115273 -14.80085573
0.00022332 0.00002265 0.00052516
0.00447931 -0.01227517 -0.00902400
17.22032395 -7.46819983 -12.00871596
0.00037298 0.00031050 0.00059719
0.00465775 -0.00662943 0.00620924
9.24713113 -4.28359137 5.27143927
-0.00089360 0.00042132 0.00094962
0.01832291 -0.00506335 0.00657581
12.25819800 -4.42211857 5.87229030
-0.00096800 0.00105718 0.00030873
0.00226362 0.00368319 -0.01893833
-20.99926204 -0.07443833 24.64309568
0.00078432 -0.00070262 0.00067611
-0.02511532 -0.01828786 -0.00325656
-20.14056775 2.66952049 25.25554661
0.00023701 0.00034681 -0.00047976
0.00605247 -0.02643275 0.00448408
24.61757251 -2.45093903 -7.03068883
0.00031591 0.00054049 0.00047336
0.00689275 0.00296931 -0.00282598
24.05897316 -0.64310062 -9.28259238
-0.00024503 0.00007239 -0.00058124
-0.00056357 0.00394735 0.00673005
12.38803603 -10.18624498 -9.70245282
-0.00028136 0.00066918 0.00045022
0.01848630 0.00070880 0.02973623
12.47081188 -8.51279660 -12.05501244
0.00029926 -0.00015317 0.00012207
0.01712429 0.01647779 -0.01221436
-9.26004940 -9.17752527 18.32471173
0.00098351 -0.00031703 0.00048554
0.01482292 -0.00458576 0.00245534
-11.48818946 -9.51828529 16.82673089
0.00106119 0.00067531 0.00045022
-0.01675380 -0.00392661 -0.00247866
8.45312253 0.25207913 -30.08584587
0.00073547 -0.00024462 0.00018865
0.00535254 0.00688024 0.00941597
5.70186661 0.56051149 -29.20318064
0.00015452 -0.00119408 -0.00009746
-0.01037045 0.00064602 -0.00037714
12.53329510 19.57857112 12.45680104
0.00028903 0.00085345 -0.00015770
-0.00115537 0.01170411 0.00205447
13.43827524 17.48686961 10.73870073
-0.00114091 0.00073882 -0.00079495
0.01786023 -0.00337572 -0.03091506
27.78799932 7.71772405 -11.55600126
0.00073935 0.00003385 -0.00029609
-0.00426987 -0.00179319 0.00078000
25.76665459 7.16693600 -9.34434027
-0.00047529 -0.00025452 -0.00021878
0.01015086 0.01066539 -0.00978693
-7.04781291 4.55297489 6.66851569
0.00026226 -0.00011669 -0.00009554
-0.00288055 -0.00332504 -0.00637266
-8.88124848 8.70691974 3.87946185
0.00021005 -0.00012816 0.00000508
-0.00633107 -0.00804555 -0.00332402
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07913197
0.32188051
428.88964605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3887844322 (a.u.)
total exchange computation time: 3.0494489670 s
-154.0120377090
-931.40331491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3883804721 (a.u.)
total exchange computation time: 3.0508182049 s
-154.0159867091
Anderson extrapolation: theta=1.3508350181 (1.3508350181)
-931.40352722
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3877485562 (a.u.)
total exchange computation time: 3.0498750210 s
-154.0218319785
Anderson extrapolation: theta=0.0529993863 (0.0529993863)
-931.40365499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3876473930 (a.u.)
total exchange computation time: 3.0507869720 s
-154.0225952639
Anderson extrapolation: theta=2.0510867749 (2.0000000000)
-931.40366042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3874289592 (a.u.)
total exchange computation time: 3.0508420467 s
-154.0241944929
Anderson extrapolation: theta=0.2814384472 (0.2814384472)
-931.40366708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3873701042 (a.u.)
total exchange computation time: 3.0500049591 s
-154.0245826558
Anderson extrapolation: theta=1.8075436523 (1.8075436523)
-931.40366877
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3872924250 (a.u.)
total exchange computation time: 3.0515692234 s
-154.0250363831
Anderson extrapolation: theta=0.3566703242 (0.3566703242)
-931.40367093
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3872939053 (a.u.)
total exchange computation time: 3.0485041142 s
-154.0249563416
Anderson extrapolation: theta=1.1827048299 (1.1827048299)
-931.40367155
73.845822 67.651258 -295.205771
545.445408 1080.618319 -416.361154
619.291230 1148.269577 -711.566925
1486.059264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3873177495 (a.u.)
total exchange computation time: 3.0512709618 s
679.03391244
-1084.15429791
89.79937174
-388.84239404
-174.85294648
78.47746201
551.60419304
0.00000000
-931.40367199
3.56005241 -31.23993056 -3.85001448
-0.00032485 0.00040599 -0.00008803
0.00849592 0.03194663 0.02035696
-11.19194108 2.17202883 -9.35692315
-0.00015981 -0.00029134 -0.00002486
0.02042089 0.00473465 -0.00151937
-36.97655482 1.97696892 3.98895599
0.00056492 0.00032203 0.00005577
0.02911469 0.01157193 -0.00419648
-7.71890898 -3.63765077 2.92252540
-0.00000626 -0.00005174 -0.00025876
-0.01371522 -0.00936210 -0.00525660
2.36003874 -0.02356789 9.67768107
0.00030911 -0.00000050 -0.00010893
-0.02482271 0.02291991 -0.01621801
-31.28448404 1.40431513 3.48918275
-0.00004250 -0.00006858 -0.00000290
-0.02944356 -0.01181206 0.01008161
16.49306420 13.18181928 -17.68790719
0.00030390 0.00000560 0.00011596
0.01300973 0.06177757 0.02297848
-3.32251765 4.88374002 4.06260460
-0.00020439 -0.00012639 -0.00043896
-0.01523692 -0.00981705 -0.03627124
4.84565532 17.35773000 -6.66578766
-0.00011354 -0.00013824 -0.00021368
-0.01805638 0.01923080 0.05544662
8.29432592 7.44334780 -21.26647223
0.00006353 0.00042218 -0.00019667
0.02493000 -0.00220811 0.02942300
19.93455105 18.80563528 -5.32616480
0.00055546 -0.00005773 0.00004238
0.01902171 0.04475879 -0.01353759
2.04540532 14.66542584 -21.40526483
-0.00008665 -0.00010874 0.00004061
-0.03316828 -0.01870712 0.00237741
10.54880425 -5.52633053 0.04415989
0.00015021 0.00006208 -0.00007848
-0.02721536 -0.01156768 -0.00893881
-16.46455278 -5.57458523 4.78728513
0.00023301 -0.00010440 -0.00014629
-0.01959991 -0.00119689 -0.00320835
-14.20050822 -1.52699490 20.75566258
0.00008603 0.00001853 0.00011034
-0.01633926 0.02644165 -0.00381499
0.68607757 3.63963192 -4.81674814
-0.00055095 -0.00004057 -0.00003310
0.01461552 0.03521800 -0.01322270
20.83628465 -9.56612740 -4.27470590
-0.00035052 0.00002106 -0.00031440
-0.02869358 -0.01588030 0.01282716
2.76557082 -10.86016652 6.74870383
-0.00023640 -0.00000163 -0.00003274
0.00687674 0.01150485 -0.02015177
-1.86341607 -1.81591968 -19.38534762
-0.00014150 0.00006645 0.00028260
0.00708078 0.02978637 0.01287375
-0.58566077 5.24518386 -11.29431596
-0.00018677 0.00036471 -0.00013637
-0.07656221 -0.02950309 0.02802332
-4.87550144 15.49526317 13.70670792
-0.00005273 -0.00003182 0.00052683
-0.00762046 -0.01579921 -0.00309034
-4.97848824 3.13417494 -8.05139931
-0.00001192 0.00026430 -0.00033698
0.00629751 0.01235929 0.03735913
-8.56978018 0.05620030 -4.34907391
0.00022736 -0.00008068 0.00032881
-0.02032983 -0.01163212 0.02158145
3.01433307 27.77224980 5.64683896
0.00020648 -0.00038620 -0.00003628
0.00460071 -0.02502327 0.03047174
8.63949027 -9.61162790 -2.09628377
-0.00022528 -0.00007753 0.00000022
0.03282781 0.00922581 0.01347991
-6.25173276 1.36664608 10.00768455
0.00003676 -0.00011718 0.00029348
-0.01332766 0.00300164 -0.00965989
19.77792845 9.54324015 5.93014746
0.00013250 -0.00006061 -0.00033692
0.05341845 0.02108529 -0.00154385
-3.39590197 0.58136104 -24.28458873
0.00021779 -0.00012513 0.00022710
-0.01070437 0.00160051 0.01039780
-13.64553394 8.47111935 9.43582304
-0.00005623 0.00009284 -0.00009775
-0.00549925 0.00556730 -0.01171002
-13.71952181 5.72354280 -3.93294413
0.00033274 -0.00029188 -0.00018167
0.00188716 0.00734456 -0.00066437
-3.78011742 -15.06429065 21.27567406
0.00001910 0.00000407 0.00017603
-0.00982773 -0.01611814 -0.02356857
-6.36613220 8.61349404 -6.44929010
-0.00014810 0.00021973 0.00030444
0.01114209 -0.02096688 -0.00845008
-19.74244791 30.41056926 1.31240799
0.00019559 0.00034375 0.00017059
-0.02584480 0.00652885 -0.00125438
10.27509671 3.70674502 8.11429639
-0.00011031 0.00045017 -0.00002557
-0.02209416 -0.01177804 -0.02012809
7.38836442 16.51865449 -11.71585243
-0.00025996 -0.00004914 0.00018735
-0.01264215 -0.00998867 0.01673562
14.06303445 4.41502003 -0.52187273
0.00014150 -0.00045877 0.00042657
-0.00983669 0.03428870 -0.04781625
-5.82409215 11.88215356 -1.28269528
-0.00034637 0.00004857 -0.00005081
0.04499850 -0.02139487 -0.04083496
8.38696418 11.32313547 4.92271856
0.00014574 -0.00050082 -0.00001712
-0.00689409 0.03954417 0.00159499
19.88419237 -11.17899972 -10.61276778
0.00008785 -0.00014284 -0.00022922
-0.01195828 0.00715394 0.02012169
19.25456613 -5.79225268 -0.16525778
0.00011603 0.00028616 0.00011117
0.00147872 0.01434235 -0.00618106
15.88943100 7.56864803 9.62455091
-0.00017449 -0.00017536 0.00007985
-0.00145102 0.01417723 0.01251835
3.79190642 -14.62228845 16.58287158
-0.00023423 -0.00006141 0.00005859
0.00864893 -0.01697915 -0.00532942
-3.73995206 -2.54850736 -14.01695310
-0.00030743 0.00009557 -0.00042910
0.00430127 0.02122420 -0.00616815
16.28151079 -6.44534105 -13.18025971
0.00002578 0.00026971 0.00008203
-0.01925564 -0.00892484 -0.00579052
10.58467452 -4.48966152 6.55462872
0.00009077 -0.00024928 0.00027361
-0.02692277 0.00199009 0.01451590
-19.58747238 0.86898954 25.17466466
-0.00028054 0.00022008 0.00023091
0.01978707 0.04696605 0.00654135
24.01747734 -0.74291808 -7.41073690
-0.00014324 -0.00002559 0.00016439
-0.00501016 -0.00103659 -0.01980843
11.52788680 -9.73356523 -11.18183336
0.00004501 0.00000561 0.00013232
-0.03294253 -0.01710673 -0.01170258
-9.74671151 -9.93709358 16.74301193
-0.00021922 0.00009315 0.00026790
0.01686666 0.00648781 -0.00128412
7.34085781 0.06208644 -28.61883604
-0.00015384 -0.00036649 -0.00012789
0.01046152 -0.00411042 -0.00099636
12.59335484 17.78671267 12.26559600
0.00002392 -0.00006041 0.00012684
-0.01316175 0.00715606 0.03116634
25.97866859 7.51144253 -11.16428564
0.00007990 0.00026580 0.00001658
0.00066471 -0.00095162 0.01073440
3.93623895 -29.69897821 -4.88977229
0.00091300 -0.00012270 0.00028799
-0.00095528 -0.01657916 0.00438982
3.31031174 -30.47298191 -2.07036627
-0.00024068 0.00081664 0.00011675
0.00013048 -0.01571384 -0.02321840
-9.56446013 2.98636144 -8.87340683
0.00083869 -0.00041368 -0.00005183
-0.02518809 -0.01198088 -0.00579960
-11.62905259 2.73513411 -11.09798059
-0.00025719 0.00067977 -0.00059208
0.00514766 0.00084481 0.00490172
-36.76644653 3.50371858 2.97067516
-0.00005942 -0.00028208 0.00011532
-0.00951968 -0.00518960 0.00722132
-38.74737297 1.54885627 3.97919571
-0.00061475 -0.00014477 0.00068329
-0.01153136 -0.00345590 -0.00440285
-9.17127904 -4.39725835 1.96025477
-0.00009506 -0.00164046 0.00063297
0.01193908 0.00409196 0.00206322
-6.31853656 -4.77238556 2.60688124
-0.00035342 -0.00037800 -0.00012179
-0.00374557 0.00062049 0.00206997
3.41239307 -1.25324609 8.91616961
-0.00074134 0.00087216 -0.00032358
0.01156842 -0.01177121 -0.01097129
1.60803426 0.95843913 8.24196015
-0.00057043 -0.00034307 -0.00021548
0.01435332 -0.01394068 0.02456742
-30.81596910 -0.35954868 3.77692473
0.00008829 0.00091228 -0.00056904
0.00855797 0.00103367 -0.00759837
-33.16895518 1.27067717 3.61169765
-0.00031791 -0.00083460 0.00112164
0.02529138 0.00708522 -0.00252571
15.43300200 12.11884734 -18.60771453
-0.00123226 0.00003745 -0.00046933
-0.02169411 -0.02921042 -0.01662740
17.99928617 12.28784558 -17.27268735
0.00030833 -0.00040042 -0.00007284
0.01038873 -0.01950333 -0.00200179
-2.61511741 6.29321001 4.90751449
0.00082475 -0.00090582 -0.00054580
0.01072728 0.01990201 0.01958965
-3.70257974 5.73856044 2.42832394
0.00034022 0.00019219 -0.00116697
0.00519516 -0.01650722 0.01529068
5.88875591 17.15555134 -8.08732486
0.00075399 0.00117448 -0.00094348
0.02434807 -0.00117172 -0.03249435
5.61156704 18.66049604 -5.51855506
0.00018401 -0.00008331 0.00085770
-0.00272210 -0.02337578 -0.02554521
9.04931254 6.42172692 -22.56038886
-0.00011776 0.00003486 -0.00017168
-0.00802591 -0.00298857 -0.01802762
9.71503533 7.56464102 -19.98245042
-0.00008363 0.00093932 0.00024703
-0.02418071 0.00827396 -0.01488217
19.66011417 20.40029462 -4.35041000
-0.00037186 0.00100427 -0.00006267
-0.00915342 -0.01904290 0.00594753
21.14998568 19.69547233 -6.50055393
0.00098915 -0.00021623 -0.00005767
-0.01382039 -0.02289188 0.01113831
1.66277676 13.02303465 -20.61804892
-0.00063728 0.00054388 0.00060028
0.01663208 0.01082130 -0.00048024
0.26133646 15.08236892 -21.89416904
0.00032008 -0.00075263 0.00039763
0.01518481 0.01202657 0.00101654
9.72550588 -7.19105822 -0.50980455
-0.00003680 0.00016981 -0.00011075
0.01568252 0.03140310 0.00812119
9.23008390 -4.22449327 -0.36126546
0.00016167 0.00017292 0.00004237
0.02145206 -0.01401352 0.00564014
-17.11487105 -6.52369479 6.19307792
-0.00019830 -0.00003972 0.00010411
0.00592170 -0.00105613 0.01349776
-18.06087167 -5.31793198 3.89234617
-0.00042001 0.00013286 -0.00049882
0.01281641 0.00009961 -0.00898594
-14.25155794 -0.90461158 19.01973122
0.00013311 0.00043836 -0.00119675
0.00374599 -0.00464107 -0.00329102
-15.14315477 -0.17878731 21.60317218
-0.00050305 0.00035943 -0.00005601
0.00641474 -0.01431301 0.00482144
-0.13564806 2.99542826 -3.39094918
0.00014184 0.00009915 -0.00023456
-0.01672402 -0.02080042 0.01747544
1.13075662 2.32446537 -5.97649475
0.00069933 -0.00002124 0.00024912
-0.00151971 -0.01587631 0.00330980
20.11420112 -9.05071988 -5.83571251
0.00099150 0.00024295 -0.00016983
0.00140767 0.00851003 -0.01081204
22.62141511 -9.27655675 -4.24750169
-0.00153619 0.00063169 -0.00084742
0.01792154 0.00354916 -0.00723042
4.55754187 -11.19892412 6.54177587
0.00146207 -0.00019328 -0.00072140
-0.00574288 -0.00412889 -0.00487056
2.43749336 -11.31242276 8.43974657
-0.00050502 0.00060886 0.00091114
-0.00125464 -0.00651297 0.02778282
-2.60703479 -3.15761857 -20.30549657
-0.00034903 -0.00149536 0.00005551
-0.00772966 -0.02414339 -0.01101375
-2.89073875 -1.53544837 -17.89567768
-0.00052144 -0.00082455 -0.00044589
0.00303527 -0.00350332 -0.00160449
1.09654716 5.69703922 -11.42319683
0.00090992 -0.00006156 0.00058849
0.05019033 0.00794179 0.00980078
-1.06243983 4.36601697 -9.65789237
-0.00002664 0.00050699 0.00008326
0.01555478 0.02154839 -0.03479037
-4.11650649 16.82943201 14.63687039
0.00084080 0.00149836 0.00024823
0.01579983 0.01552679 0.01624502
-6.60274677 16.08436934 13.56656678
0.00007147 0.00000448 -0.00070303
-0.00494519 -0.00234312 0.00208349
-5.30020660 2.09552063 -6.57756606
0.00045993 -0.00014668 -0.00008424
0.00138416 0.00413627 -0.00348642
-5.34705320 2.07804121 -9.48276792
0.00060279 -0.00037895 -0.00052044
-0.00613903 -0.00401290 -0.01727351
-9.28681918 -1.69101979 -4.41775129
0.00016446 -0.00004265 0.00014068
0.01033939 0.03126701 0.00680989
-9.51933589 1.00317266 -3.00169794
-0.00010603 -0.00142195 -0.00005753
0.01549584 -0.01819950 -0.02367612
2.39883169 29.01856603 4.55741886
-0.00054457 0.00062874 -0.00003924
-0.00883635 0.02542934 -0.02768515
2.20006179 28.14460875 7.24519355
-0.00075025 -0.00047156 -0.00102054
0.00693558 -0.00343334 -0.00506909
7.07177750 -9.78977528 -2.90107579
-0.00024143 0.00119535 0.00134708
-0.03537638 -0.00754067 -0.00734701
8.99622476 -10.99747221 -0.97236373
0.00005586 -0.00009133 -0.00080887
-0.00871835 -0.01133878 -0.00077459
-5.37650670 -0.16511823 9.51200576
0.00136325 -0.00018701 -0.00099267
0.01200420 -0.01558354 -0.01262976
-8.01040511 0.91120677 9.93518356
0.00025592 0.00104993 -0.00002569
-0.00530571 0.00149550 0.00235057
19.11454786 9.70066230 7.62315626
-0.00097617 0.00030443 -0.00001902
0.00075599 -0.00373445 0.00617135
21.63233188 10.14582511 6.02132635
0.00112033 -0.00033330 -0.00020324
-0.04213010 -0.01403157 -0.00070980
-3.09208025 0.63599951 -22.43749162
-0.00103557 0.00010618 -0.00110055
-0.00640476 -0.00707859 -0.01715324
-5.23234529 0.38786927 -24.59150964
-0.00115303 -0.00065891 -0.00067754
0.01456323 0.00333367 0.00650269
-12.82430444 9.55034763 10.66050792
0.00004386 0.00006320 -0.00007275
0.00424119 0.00199846 -0.00543129
-13.69356620 9.53633056 7.87409242
-0.00084813 0.00002253 -0.00080449
0.00112330 -0.00688061 0.00955634
-13.68609470 4.18985839 -4.86111571
0.00054708 0.00061585 0.00077379
0.00683148 -0.01911599 -0.00679170
-15.05411937 6.61206463 -4.82499135
-0.00068594 -0.00014863 0.00081044
-0.00497457 0.00663958 0.00676984
-5.39458855 -16.04315271 21.02140212
0.00018645 0.00060442 -0.00051691
0.01119488 0.00687298 0.01036498
-2.98058524 -15.30600910 19.61998718
-0.00000568 0.00058714 0.00034200
-0.00279588 0.00581126 0.01287593
-6.53919731 6.77999428 -6.59503315
-0.00004984 -0.00027146 -0.00002451
0.00318682 0.01042504 0.00036015
-7.83449588 9.22660144 -5.57549160
-0.00127562 -0.00046173 -0.00090577
-0.00798223 0.00670307 0.00049853
-21.00098653 30.93930495 0.06206130
-0.00050205 -0.00044297 0.00032821
0.01889080 -0.00750300 0.00749235
-18.04866389 30.41167273 0.67856570
-0.00101908 -0.00083326 -0.00069461
0.00729930 0.00201944 -0.00831624
8.94712093 3.04643866 6.88306355
-0.00106199 -0.00046652 -0.00029755
0.02241111 0.00856949 0.01837255
9.74122167 5.43441252 8.46417119
-0.00006750 -0.00091670 0.00016427
-0.00097069 0.00534013 0.00123209
8.50318372 17.80697913 -12.30068852
0.00030959 -0.00009149 -0.00005833
0.00737761 0.00985716 -0.01053759
8.60968944 15.19792380 -11.36977423
-0.00034362 0.00029350 -0.00055599
-0.00321428 -0.00377536 0.00120839
12.84173795 5.71976703 -0.01079414
-0.00000056 0.00098907 0.00014776
0.01896186 -0.01712973 0.00691640
14.35608190 3.22855349 0.76097787
-0.00046875 -0.00033979 0.00034505
-0.00831513 -0.01705363 0.03631026
-4.57844119 11.74961118 -2.79163329
-0.00047786 0.00054200 0.00060025
-0.02940040 0.01964699 0.03069910
-5.31335556 10.14018648 -0.77944081
0.00038003 -0.00040222 -0.00103449
-0.01254951 0.01182337 0.01078143
7.74033210 13.13158285 4.74195403
0.00036692 -0.00139906 -0.00004269
0.02162213 -0.03598983 0.00050800
10.23577374 11.28703139 4.55067598
0.00033523 -0.00041127 0.00001824
-0.01826240 -0.00017659 0.00262624
18.96954001 -10.97694362 -8.99306184
0.00132620 0.00078090 -0.00063020
0.00761513 -0.00086500 -0.02042817
20.59907416 -12.84270975 -10.46976990
-0.00064309 0.00101357 0.00059306
0.00517038 -0.01030099 -0.00130042
19.02848652 -4.88945908 -1.77598786
0.00076871 -0.00011040 0.00049483
0.00421948 -0.01659180 0.00878317
18.26501953 -7.33886018 -0.21367268
0.00009247 -0.00016740 0.00021076
-0.00757748 -0.00661766 -0.00618523
14.90428614 9.08781153 9.31277094
-0.00106464 -0.00014311 -0.00022966
0.00143091 -0.00731664 -0.00031025
16.61524325 7.84113738 11.30142574
0.00014368 0.00045263 0.00004910
-0.00583618 -0.00393104 -0.00989424
2.78876988 -15.77190424 17.58843925
0.00060015 -0.00104592 -0.00027895
-0.00345051 -0.01577322 -0.00770299
3.26419775 -13.05564848 17.22007315
-0.00009619 0.00054414 -0.00056183
-0.00261779 0.03697736 0.00364203
-4.35722950 -4.31881254 -13.68367674
-0.00088437 -0.00010991 -0.00009243
0.00288741 0.00819187 0.00240912
-2.07210486 -2.27552854 -13.37629444
0.00000526 -0.00003580 0.00015929
0.00601023 -0.00504751 0.00215992
16.04047322 -7.30118917 -14.79325493
0.00024119 -0.00002923 0.00048439
0.00426788 -0.01311967 -0.01093323
17.22606133 -7.46374545 -11.99956786
0.00038790 0.00028811 0.00061800
0.00264734 -0.00433295 0.00397615
9.23428864 -4.27742677 5.28588510
-0.00081567 0.00040004 0.00097857
0.01982495 -0.00535225 0.00759542
12.24374743 -4.40614803 5.87634086
-0.00094427 0.00107313 0.00022525
0.00935111 0.00412542 -0.02192216
-20.98826686 -0.08553806 24.65313753
0.00067442 -0.00078014 0.00066051
-0.02868289 -0.01965581 -0.00437939
-20.13682720 2.67391271 25.24848768
0.00025933 0.00023877 -0.00046140
0.00487698 -0.02645692 0.00449920
24.62252236 -2.44274074 -7.02367499
0.00034567 0.00054812 0.00046189
0.00767324 0.00076940 -0.00279128
24.05528044 -0.64189375 -9.29110477
-0.00024703 0.00008738 -0.00054463
-0.00041729 0.00338708 0.01119213
12.38438215 -10.17618557 -9.69478832
-0.00020620 0.00067206 0.00057202
0.01830567 0.00070185 0.02988716
12.47582556 -8.51458920 -12.05355565
0.00036832 -0.00008684 0.00007277
0.01667948 0.01598908 -0.01191671
-9.24484251 -9.18242124 18.33207009
0.00104221 -0.00033831 0.00049040
0.01391284 -0.00583250 -0.00007671
-11.47278502 -9.50827590 16.83340824
0.00097408 0.00066413 0.00044126
-0.02588847 -0.00154975 -0.00190879
8.46431866 0.24862059 -30.08272759
0.00075414 -0.00021621 0.00022954
0.00378491 0.00702680 0.01059810
5.70386670 0.54262012 -29.20465418
0.00010535 -0.00118893 -0.00010250
-0.01370096 0.00187190 -0.00208900
12.53759512 19.59173154 12.45449856
0.00028429 0.00088689 -0.00014983
-0.00116452 0.00466415 0.00179666
13.42170892 17.49784853 10.72582914
-0.00107019 0.00072466 -0.00091855
0.01675496 -0.00355842 -0.02958718
27.79895880 7.71817680 -11.56041878
0.00071440 0.00002572 -0.00029043
-0.00794367 -0.00218404 0.00199506
25.75983626 7.16344503 -9.34792188
-0.00043234 -0.00021061 -0.00025745
0.01087461 0.01082766 -0.00914143
-7.04388678 4.55121564 6.66706548
0.00026125 -0.00011786 -0.00009782
-0.00271983 -0.00324333 -0.00636504
-8.87810872 8.70498333 3.87953220
0.00020856 -0.00013000 0.00000430
-0.00652359 -0.00777658 -0.00339588
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07913249
0.32453950
432.43260941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3777300663 (a.u.)
total exchange computation time: 3.0482950211 s
-153.9634521595
-931.40371128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3774226570 (a.u.)
total exchange computation time: 3.0502090454 s
-153.9665909427
Anderson extrapolation: theta=1.3476024160 (1.3476024160)
-931.40391600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3769078411 (a.u.)
total exchange computation time: 3.0511338711 s
-153.9714427637
Anderson extrapolation: theta=0.0502618524 (0.0502618524)
-931.40403773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3768015217 (a.u.)
total exchange computation time: 3.0482320786 s
-153.9722332425
Anderson extrapolation: theta=1.9014581701 (1.9014581701)
-931.40404211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3765732220 (a.u.)
total exchange computation time: 3.0486538410 s
-153.9738772677
Anderson extrapolation: theta=0.2196297302 (0.2196297302)
-931.40404662
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3765145433 (a.u.)
total exchange computation time: 3.0491650105 s
-153.9742536203
Anderson extrapolation: theta=1.9413232105 (1.9413232105)
-931.40404750
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3764199942 (a.u.)
total exchange computation time: 3.0489380360 s
-153.9748034818
Anderson extrapolation: theta=0.3041484775 (0.3041484775)
-931.40404868
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3764120371 (a.u.)
total exchange computation time: 3.0507340431 s
-153.9747888526
Anderson extrapolation: theta=1.3634435113 (1.3634435113)
-931.40404900
73.871632 111.971923 -295.314412
545.406602 1080.658354 -416.386136
619.278234 1192.630277 -711.700547
1520.654523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0650436047
ExchangeOperator: pair fraction: ispin=0: 0.1658626284
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3764179113 (a.u.)
total exchange computation time: 3.0492868423 s
678.87125072
-1083.79737907
89.81103794
-389.08667458
-174.82586635
78.28021762
551.60419304
0.00000000
-931.40404926
3.55521245 -31.23371745 -3.85125633
-0.00032045 0.00042214 -0.00007686
0.00862497 0.03084387 0.02305698
-11.19425946 2.16767705 -9.35730184
-0.00014856 -0.00028805 -0.00002644
0.02333075 0.00802893 -0.00464194
-36.96796878 1.98184396 3.98977640
0.00057731 0.00032637 0.00005436
0.01906757 0.00533425 -0.00130433
-7.71905574 -3.63846305 2.91862378
-0.00001369 -0.00005688 -0.00026163
-0.01520073 -0.01059106 -0.00592515
2.36457966 -0.02348696 9.67598463
0.00029474 0.00001313 -0.00011653
-0.03106642 0.03007845 -0.01336081
-31.28523505 1.40324086 3.48917817
-0.00005868 -0.00007317 0.00000223
-0.03348146 -0.00605099 0.00984779
16.49767288 13.18214155 -17.68607915
0.00030900 0.00003553 0.00012630
0.00682715 0.05460681 0.01724032
-3.32564232 4.88180630 4.05588035
-0.00021252 -0.00013137 -0.00045857
-0.01635513 -0.00955656 -0.04002049
4.84388262 17.35573060 -6.66877892
-0.00012092 -0.00012788 -0.00018639
-0.01065756 0.02105141 0.05066811
8.29537510 7.44967198 -21.26930877
0.00007645 0.00042104 -0.00018161
0.02527836 -0.00222380 0.02912193
19.94295628 18.80494203 -5.32558125
0.00056506 -0.00003361 0.00003591
0.01833498 0.04904280 -0.01165850
2.04397757 14.66372263 -21.40464657
-0.00010298 -0.00011823 0.00004202
-0.03032452 -0.01822246 0.00313772
10.55095239 -5.52544396 0.04294825
0.00013624 0.00005614 -0.00008305
-0.02708220 -0.01154425 -0.00884848
-16.46113329 -5.57615580 4.78507844
0.00022159 -0.00010511 -0.00014810
-0.02479068 -0.00158402 -0.00385392
-14.19928075 -1.52661503 20.75730293
0.00007721 0.00003338 0.00010652
-0.01796513 0.03132800 -0.01102148
0.67786964 3.63915928 -4.81729567
-0.00054282 -0.00002219 -0.00004107
0.01702635 0.03625753 -0.01777202
20.83091615 -9.56587271 -4.27937237
-0.00036648 0.00001235 -0.00030708
-0.03337074 -0.01800895 0.01562469
2.76205132 -10.86014666 6.74813501
-0.00023032 0.00000332 -0.00004195
0.01676626 0.00775829 -0.01568078
-1.86551122 -1.81480803 -19.38105896
-0.00013867 0.00007916 0.00028689
0.00390211 0.01962725 0.00381143
-0.58875771 5.25054078 -11.29625336
-0.00022349 0.00035020 -0.00012206
-0.06622470 -0.02693145 0.02761061
-4.87632180 15.49472500 13.71459845
-0.00005525 -0.00003795 0.00052653
-0.00217861 -0.00806270 0.00194311
-4.97864275 3.13818709 -8.05630987
-0.00000896 0.00026982 -0.00031777
0.00519603 0.00912621 0.03733416
-8.56644826 0.05494518 -4.34405851
0.00021738 -0.00008737 0.00033915
-0.01848192 -0.01435962 0.01861537
3.01744797 27.76636028 5.64641230
0.00020819 -0.00039726 -0.00002300
0.00206053 -0.01797985 0.02116932
8.63623764 -9.61275533 -2.09622852
-0.00020714 -0.00007198 0.00000724
0.03771670 0.01235901 0.01383402
-6.25123279 1.36490003 10.01204957
0.00003195 -0.00011659 0.00028806
-0.00538186 -0.00071724 -0.01142827
19.78012203 9.54241233 5.92508765
0.00016016 -0.00004953 -0.00033654
0.05414340 0.02202080 0.00303463
-3.39267643 0.57949021 -24.28114209
0.00020936 -0.00012465 0.00022933
-0.02207652 0.00026573 -0.00174971
-13.64639863 8.47253335 9.43431166
-0.00005921 0.00009601 -0.00010430
-0.00607942 0.00677348 -0.01376003
-13.71452350 5.71919296 -3.93567175
0.00033314 -0.00028533 -0.00018070
-0.00031359 0.01811749 0.00442130
-3.77986876 -15.06429175 21.27822361
0.00001424 -0.00000376 0.00016427
-0.00909412 -0.01433021 -0.02217666
-6.36831066 8.61670912 -6.44475603
-0.00014272 0.00020811 0.00030022
0.00976269 -0.02421783 -0.00797303
-19.73961369 30.41575076 1.31496206
0.00018053 0.00034724 0.00017043
-0.03272081 0.00702166 0.00061938
10.27335678 3.71345212 8.11383521
-0.00012187 0.00044133 -0.00003702
-0.02284349 -0.02257975 -0.02438367
7.38441619 16.51787881 -11.71297770
-0.00026631 -0.00005294 0.00019544
-0.01201754 -0.00476436 0.01473481
14.06511901 4.40827070 -0.51565863
0.00013541 -0.00043961 0.00040199
-0.01384184 0.04024013 -0.04775661
-5.82911414 11.88279958 -1.28361488
-0.00032345 0.00003718 -0.00007109
0.04413638 -0.02290265 -0.03802644
8.38912376 11.31577573 4.92246797
0.00014284 -0.00048170 -0.00001620
-0.00441357 0.03478456 0.00195842
19.88546396 -11.18111479 -10.61612848
0.00008142 -0.00013702 -0.00022019
-0.01302935 0.01549506 0.01500904
19.25631233 -5.78790489 -0.16361413
0.00011654 0.00029226 0.00010897
0.00050365 0.00936553 -0.00234942
15.88680805 7.56607239 9.62579696
-0.00017566 -0.00016721 0.00008630
-0.00311044 0.01749514 0.01254213
3.78842627 -14.62327508 16.58372982
-0.00022967 -0.00006956 0.00005590
0.00908682 -0.01470886 -0.00511051
-3.74454699 -2.54699193 -14.02341340
-0.00030439 0.00010644 -0.00043178
0.00753069 0.02103349 -0.00424124
16.28182318 -6.44132977 -13.17905164
0.00001649 0.00026468 0.00008006
-0.01686813 -0.01063435 -0.00186483
10.58593225 -4.49339297 6.55878880
0.00007495 -0.00024836 0.00028160
-0.03459617 0.00155253 0.01658407
-19.59160421 0.87247197 25.17815356
-0.00026934 0.00024422 0.00023447
0.02376131 0.04689428 0.00729787
24.01530942 -0.74330595 -7.40834744
-0.00014597 -0.00002544 0.00015311
-0.00559707 0.00163176 -0.02407904
11.52843487 -9.73354714 -11.17989371
0.00002857 -0.00000296 0.00012635
-0.03100147 -0.01621275 -0.01149073
-9.74993479 -9.93567134 16.74702552
-0.00020811 0.00009615 0.00026771
0.02635595 0.00519489 0.00051541
7.33859056 0.05657323 -28.62075827
-0.00014725 -0.00036885 -0.00012824
0.01518154 -0.00506394 -0.00037149
12.59366289 17.78583408 12.26761887
0.00001758 -0.00005499 0.00014223
-0.01148663 0.01393374 0.02866086
25.97986970 7.51542583 -11.16399560
0.00008100 0.00026539 0.00002161
0.00360477 -0.00064912 0.00883293
3.94990467 -29.70132671 -4.88531785
0.00090906 -0.00018678 0.00030253
-0.00097135 -0.01478840 0.00272531
3.30670554 -30.46121376 -2.06932656
-0.00024040 0.00075024 0.00001930
0.00000595 -0.01679285 -0.02448101
-9.55265163 2.97978917 -8.87436206
0.00072797 -0.00046621 -0.00007745
-0.02901214 -0.01373584 -0.00673961
-11.63275262 2.74535658 -11.10671164
-0.00023414 0.00067965 -0.00056395
0.00613451 -0.00090392 0.00886912
-36.76762949 3.49932829 2.97262623
-0.00009675 -0.00029544 0.00013977
-0.00875308 -0.00134703 0.00474984
-38.75694753 1.54657881 3.98931007
-0.00064395 -0.00015473 0.00066490
-0.00276297 -0.00141856 -0.00459840
-9.17233912 -4.42173987 1.96981256
-0.00004554 -0.00162039 0.00064209
0.01230036 0.00573284 0.00240000
-6.32395259 -4.77803654 2.60511781
-0.00036656 -0.00037574 -0.00011267
-0.00268904 0.00048770 0.00239365
3.40162752 -1.24052436 8.91097968
-0.00068191 0.00080956 -0.00037613
0.01752037 -0.01887475 -0.01474930
1.59991759 0.95286588 8.23948080
-0.00051123 -0.00040000 -0.00011280
0.01462454 -0.01392447 0.02569340
-30.81438247 -0.34583283 3.76815627
0.00012773 0.00090283 -0.00059787
0.01074569 -0.00565627 -0.00651114
-33.17294878 1.25837525 3.62844479
-0.00021103 -0.00080386 0.00110993
0.02702540 0.00796524 -0.00320424
15.41385333 12.11851396 -18.61526393
-0.00130505 -0.00006792 -0.00052405
-0.01393811 -0.02236983 -0.01016252
18.00422943 12.28124171 -17.27384132
0.00034760 -0.00047973 -0.00008250
0.00883351 -0.01932172 -0.00272691
-2.60241751 6.28023253 4.89992778
0.00086940 -0.00082213 -0.00046480
0.01112889 0.02106674 0.02006080
-3.69731728 5.74093753 2.41128791
0.00036261 0.00012184 -0.00109727
0.00576494 -0.01793415 0.01882807
5.90081180 17.17313266 -8.10247279
0.00084238 0.00117145 -0.00106147
0.01891932 -0.00031347 -0.02526117
5.61424371 18.65853002 -5.50647228
0.00016918 -0.00018434 0.00074817
-0.00453444 -0.02607651 -0.02807505
9.04730028 6.42215823 -22.56351653
-0.00015045 0.00002392 -0.00024276
-0.00798057 -0.00236596 -0.01676535
9.71303984 7.57898435 -19.97920099
-0.00018320 0.00097153 0.00018372
-0.02455670 0.00749109 -0.01610866
19.65425576 20.41477515 -4.35116777
-0.00040622 0.00091720 -0.00004427
-0.00766667 -0.02358100 0.00305630
21.16439936 19.69152735 -6.50107760
0.00093100 -0.00030962 -0.00000977
-0.01464196 -0.02282343 0.01230478
1.65372715 13.03152450 -20.60905949
-0.00056797 0.00058380 0.00060007
0.01729838 0.00871985 0.00037855
0.26660296 15.07144797 -21.88817338
0.00037544 -0.00069970 0.00039870
0.01191271 0.01388293 -0.00049511
9.72543445 -7.18754872 -0.51121691
0.00002716 0.00029683 -0.00007772
0.01562655 0.03077204 0.00804592
9.23316636 -4.22232889 -0.36045704
0.00024921 0.00011610 0.00006547
0.02139871 -0.01379781 0.00566526
-17.11766417 -6.52432297 6.19505315
-0.00017248 -0.00004144 0.00015492
0.00671823 0.00021453 0.01137613
-18.06677910 -5.31593602 3.88458855
-0.00035851 0.00013152 -0.00052995
0.01729009 -0.00075702 -0.00625443
-14.24944646 -0.89817843 19.00167909
0.00014827 0.00041376 -0.00119277
0.00367496 -0.00739945 0.00524186
-15.15050392 -0.17383447 21.60247972
-0.00047346 0.00029660 -0.00003964
0.00806648 -0.01644431 0.00319126
-0.13403297 2.99627812 -3.39393207
0.00006965 0.00001048 -0.00015565
-0.01861313 -0.02260186 0.02115108
1.14120003 2.32366024 -5.97265655
0.00069238 -0.00008471 0.00026421
-0.00188470 -0.01519324 0.00407580
20.12911681 -9.04681487 -5.83859123
0.00099009 0.00028018 -0.00022229
-0.00210031 0.00971564 -0.01486803
22.59892149 -9.26697266 -4.26043458
-0.00144618 0.00064822 -0.00087371
0.02613516 0.00454425 -0.00563638
4.57929698 -11.20194991 6.53080563
0.00141316 -0.00020621 -0.00073600
-0.01820248 -0.00219607 -0.00227757
2.42987964 -11.30348946 8.45426505
-0.00050507 0.00058564 0.00101003
0.00122927 -0.00485031 0.02062531
-2.61250711 -3.18078879 -20.30500137
-0.00036965 -0.00157609 0.00002144
-0.00236246 -0.01537532 -0.00566518
-2.89846736 -1.54792398 -17.90241520
-0.00051289 -0.00083633 -0.00044504
0.00114971 -0.00226242 0.00202259
1.11173393 5.69635911 -11.41406916
0.00109575 -0.00003359 0.00062834
0.04077297 0.00574965 0.00970743
-1.06236271 4.37428213 -9.65770950
0.00003544 0.00059430 -0.00005864
0.01483286 0.02119025 -0.03467454
-4.10341033 16.85238317 14.64109159
0.00089392 0.00154491 0.00030285
0.01020222 0.00725865 0.01049350
-6.60182618 16.08436472 13.55608524
0.00005176 -0.00000383 -0.00069348
-0.00470609 -0.00172251 0.00258937
-5.29326529 2.09344710 -6.57893645
0.00046651 -0.00012654 -0.00010259
0.00183946 0.00572709 -0.00549636
-5.33819943 2.07223396 -9.49110378
0.00057860 -0.00039158 -0.00058645
-0.00570496 -0.00216797 -0.01504219
-9.28403537 -1.69070137 -4.41543242
0.00020737 0.00008326 0.00016736
0.01066111 0.03036727 0.00624950
-9.52045153 0.98128567 -3.00328643
-0.00004700 -0.00148912 -0.00014694
0.01340143 -0.01467882 -0.02009156
2.39039235 29.02877634 4.55598188
-0.00057246 0.00071816 -0.00014182
-0.00481483 0.01834365 -0.02252816
2.18902054 28.13743009 7.22973018
-0.00072482 -0.00048549 -0.00103285
0.00551470 -0.00338212 -0.00095664
7.06707194 -9.77207617 -2.88109472
-0.00039666 0.00116325 0.00131196
-0.04060788 -0.00816962 -0.00984641
8.99679549 -10.99918966 -0.98452044
0.00002110 -0.00014256 -0.00080788
-0.00829893 -0.01373828 0.00125701
-5.35569004 -0.16840090 9.49672875
0.00140220 -0.00024013 -0.00104059
0.00706101 -0.01042107 -0.01082903
-8.00672894 0.92700161 9.93487021
0.00022805 0.00105176 -0.00001682
-0.00833557 -0.00059997 0.00199135
19.09992855 9.70511432 7.62306001
-0.00096720 0.00028818 -0.00000422
0.00363386 -0.00421960 0.00107612
21.64784587 10.14039563 6.01825602
0.00094128 -0.00039171 -0.00020492
-0.04551951 -0.01456061 -0.00011129
-3.10781012 0.63737537 -22.45452553
-0.00105744 0.00007778 -0.00114959
-0.00429898 -0.00682754 -0.00685077
-5.24919446 0.37808784 -24.60147347
-0.00107539 -0.00064294 -0.00064817
0.02344210 0.00448045 0.00787592
-12.82351665 9.55135694 10.65925030
0.00006070 0.00007171 -0.00009633
0.00400319 0.00216741 -0.00611464
-13.70625379 9.53645760 7.86231786
-0.00084207 -0.00000832 -0.00075934
0.00184454 -0.00821894 0.01254718
-13.67767919 4.19851031 -4.84971696
0.00057499 0.00051953 0.00073410
0.00683403 -0.02802904 -0.01263956
-15.06456087 6.61003862 -4.81262736
-0.00070227 -0.00012479 0.00083945
-0.00301887 0.00503093 0.00743133
-5.39144874 -16.03387588 21.01396605
0.00022838 0.00062943 -0.00047410
0.00932950 0.00537280 0.01059153
-2.98075610 -15.29702400 19.62551175
-0.00001487 0.00061022 0.00039113
-0.00170360 0.00548857 0.01117185
-6.53984729 6.77624182 -6.59538971
-0.00003578 -0.00022242 -0.00002297
0.00369892 0.01357958 0.00039220
-7.85387485 9.21988085 -5.58906287
-0.00130628 -0.00043435 -0.00090464
-0.00702369 0.00670303 0.00005298
-21.00793839 30.93243049 0.06721408
-0.00042383 -0.00047401 0.00035986
0.01939800 -0.00769116 0.00800119
-18.06372647 30.39923578 0.66789172
-0.00097648 -0.00082527 -0.00073330
0.01355701 0.00188864 -0.01062338
8.93187776 3.03970339 6.87916325
-0.00096330 -0.00042704 -0.00021696
0.02590229 0.01075598 0.02107830
9.74017939 5.42082563 8.46667299
-0.00007694 -0.00087760 0.00017201
-0.00364741 0.01380262 0.00255881
8.50805359 17.80590881 -12.30188639
0.00033460 -0.00005543 -0.00009911
0.00486798 0.00779749 -0.00942370
8.60443664 15.20221057 -11.37807698
-0.00035274 0.00027191 -0.00054902
-0.00125017 -0.00679294 0.00219970
12.84231059 5.73407819 -0.00836575
0.00008527 0.00090879 0.00017324
0.02305223 -0.02216762 0.00555667
14.34879585 3.22293409 0.76726635
-0.00050290 -0.00041060 0.00049576
-0.00840014 -0.01760745 0.03746100
-4.58651004 11.75834318 -2.78168888
-0.00059437 0.00062292 0.00071884
-0.02763082 0.01996651 0.02735062
-5.30803962 10.13451547 -0.79462782
0.00032685 -0.00035139 -0.00098945
-0.01348355 0.01305794 0.01126658
7.74649850 13.10949408 4.74132920
0.00045141 -0.00153562 -0.00004153
0.01973497 -0.03085793 0.00006084
10.24024263 11.28085700 4.55103007
0.00025929 -0.00041263 0.00002941
-0.01891245 -0.00049254 0.00284142
18.98966639 -10.96525662 -9.00314080
0.00135041 0.00078002 -0.00070345
0.00423577 0.00043350 -0.01542686
20.58958628 -12.82782190 -10.46091391
-0.00061290 0.00095219 0.00058791
0.00960678 -0.01974507 -0.00122026
19.04014644 -4.89162355 -1.76829627
0.00078438 -0.00017377 0.00052270
0.00345157 -0.01442877 0.00486196
18.26617437 -7.34157402 -0.21070079
0.00006454 -0.00018887 0.00018559
-0.00609494 -0.00389042 -0.00613734
14.88836034 9.08544073 9.30931659
-0.00105424 -0.00017946 -0.00022900
0.00366049 -0.01047637 0.00063040
16.61721965 7.84780634 11.30185900
0.00011855 0.00043637 0.00000665
-0.00646509 -0.00402767 -0.01088410
2.79766636 -15.78807643 17.58401901
0.00058456 -0.00110688 -0.00030931
-0.00418192 -0.01406702 -0.00715855
3.26267467 -13.04635333 17.21175735
-0.00010646 0.00068711 -0.00054770
-0.00240784 0.03300917 0.00327396
-4.37040661 -4.32021013 -13.68498935
-0.00087162 -0.00007384 -0.00008293
0.00335464 0.00946414 0.00224228
-2.07184178 -2.27622024 -13.37383892
0.00002235 -0.00005790 0.00016505
0.00235647 -0.00576897 0.00065771
16.04422191 -7.30202966 -14.78632418
0.00025830 -0.00008425 0.00043640
0.00410530 -0.01381197 -0.01255720
17.23196095 -7.45955662 -11.99017607
0.00039447 0.00027522 0.00062956
0.00057091 -0.00197414 0.00168444
9.22266114 -4.27159018 5.30079643
-0.00073250 0.00037768 0.00101099
0.02088653 -0.00559221 0.00827104
12.22986995 -4.38992465 5.87904790
-0.00089255 0.00109118 0.00013005
0.01596656 0.00470753 -0.02467834
-20.97902956 -0.09784242 24.66291098
0.00055250 -0.00086167 0.00064130
-0.03099433 -0.02025753 -0.00502276
-20.13278777 2.67668349 25.24170448
0.00027637 0.00013221 -0.00044299
0.00346500 -0.02570217 0.00451567
24.62794248 -2.43449530 -7.01683220
0.00037861 0.00054687 0.00045057
0.00845109 -0.00138381 -0.00274917
24.05156214 -0.64047930 -9.29893123
-0.00024841 0.00010011 -0.00049076
-0.00025618 0.00284542 0.01517703
12.38185016 -10.16608314 -9.68529216
-0.00013315 0.00067564 0.00069203
0.01745084 0.00105041 0.02885696
12.48186147 -8.51540189 -12.05282920
0.00043442 -0.00002400 0.00002578
0.01567553 0.01477060 -0.01108855
-9.22878295 -9.18767465 18.33942375
0.00109684 -0.00036465 0.00048479
0.01282883 -0.00705917 -0.00267003
-11.45896718 -9.49836149 16.83996859
0.00085090 0.00066270 0.00043486
-0.03440715 0.00085226 -0.00122226
8.47574675 0.24559269 -30.07895980
0.00076649 -0.00018718 0.00027488
0.00226167 0.00718674 0.01160063
5.70502710 0.52484346 -29.20625573
0.00004340 -0.00117912 -0.00011429
-0.01662239 0.00293400 -0.00367946
12.54182377 19.60517780 12.45230618
0.00027950 0.00089205 -0.00014292
-0.00117930 -0.00213737 0.00158467
13.40616945 17.50860937 10.71114427
-0.00100540 0.00071027 -0.00103376
0.01495939 -0.00348462 -0.02680919
27.80943144 7.71849569 -11.56471403
0.00067519 0.00001611 -0.00028006
-0.01124978 -0.00251873 0.00307943
25.75368439 7.16061764 -9.35206374
-0.00038661 -0.00016619 -0.00029270
0.01151192 0.01091664 -0.00811308
-7.03997526 4.54943897 6.66558109
0.00026031 -0.00011901 -0.00010009
-0.00255248 -0.00315831 -0.00634621
-8.87499167 8.70301985 3.87959073
0.00020703 -0.00013176 0.00000350
-0.00667489 -0.00746499 -0.00345572
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07911264
0.32493662
432.96175796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3670027525 (a.u.)
total exchange computation time: 3.1282868385 s
-153.9176698544
-931.40198491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3667909525 (a.u.)
total exchange computation time: 3.1272988319 s
-153.9200728028
Anderson extrapolation: theta=1.3728784713 (1.3728784713)
-931.40219709
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3664053802 (a.u.)
total exchange computation time: 3.1255388260 s
-153.9239632918
Anderson extrapolation: theta=0.0605921278 (0.0605921278)
-931.40232830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3663063426 (a.u.)
total exchange computation time: 3.1269149780 s
-153.9247182590
Anderson extrapolation: theta=2.1846297165 (2.0000000000)
-931.40233463
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3660861296 (a.u.)
total exchange computation time: 3.1269030571 s
-153.9263314285
Anderson extrapolation: theta=0.3406272368 (0.3406272368)
-931.40234236
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3660113291 (a.u.)
total exchange computation time: 3.1301348209 s
-153.9268216789
Anderson extrapolation: theta=1.2939016204 (1.2939016204)
-931.40234424
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3659372322 (a.u.)
total exchange computation time: 3.1266629696 s
-153.9272384564
Anderson extrapolation: theta=0.4188482181 (0.4188482181)
-931.40234582
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3659303652 (a.u.)
total exchange computation time: 3.1293158531 s
-153.9271969752
Anderson extrapolation: theta=0.9033822149 (0.9033822149)
-931.40234627
73.897128 111.906238 -295.423929
545.370840 1080.694337 -416.411480
619.267969 1192.600575 -711.835410
1520.690172
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3659428139 (a.u.)
total exchange computation time: 3.1256999969 s
678.71538139
-1083.45775801
89.82333066
-389.31749858
-174.79985910
78.09380381
551.60419304
0.00000000
-931.40234645
3.55043903 -31.22726640 -3.85232031
-0.00031600 0.00043760 -0.00006439
0.00867123 0.02928048 0.02543980
-11.19639785 2.16338720 -9.35771634
-0.00013599 -0.00028320 -0.00002961
0.02556054 0.01083450 -0.00767331
-36.95923563 1.98676016 3.99058675
0.00058478 0.00032755 0.00005465
0.00998890 -0.00077425 0.00242184
-7.71931978 -3.63935704 2.91467646
-0.00002188 -0.00006262 -0.00026482
-0.01662069 -0.01175715 -0.00646752
2.36888092 -0.02317399 9.67418511
0.00027737 0.00003018 -0.00012258
-0.03648526 0.03622965 -0.01017459
-31.28624436 1.40211991 3.48924955
-0.00007677 -0.00007476 0.00000723
-0.03688787 -0.00012953 0.00962382
16.50233423 13.18288509 -17.68411812
0.00031097 0.00006171 0.00013369
0.00084439 0.04720096 0.01149723
-3.32889316 4.87979886 4.04884736
-0.00022105 -0.00013606 -0.00047979
-0.01680682 -0.00866793 -0.04249707
4.84202770 17.35389360 -6.67137930
-0.00012447 -0.00011673 -0.00016187
-0.00312470 0.02230432 0.04468266
8.29661929 7.45597901 -21.27192064
0.00008944 0.00041986 -0.00016689
0.02526176 -0.00238469 0.02813432
19.95150295 18.80462713 -5.32508765
0.00057422 -0.00000750 0.00003039
0.01728861 0.05249113 -0.00979188
2.04231587 14.66187884 -21.40400410
-0.00011773 -0.00012742 0.00004381
-0.02703523 -0.01748959 0.00380684
10.55289160 -5.52464645 0.04166835
0.00012252 0.00005026 -0.00008750
-0.02628250 -0.01132512 -0.00844774
-16.45790505 -5.57773858 4.78284201
0.00020762 -0.00010605 -0.00015016
-0.02952022 -0.00208023 -0.00412261
-14.19819186 -1.52599347 20.75885825
0.00006763 0.00005057 0.00009916
-0.01929271 0.03550810 -0.01759798
0.66979306 3.63896636 -4.81798031
-0.00053359 -0.00000347 -0.00005114
0.01887103 0.03651732 -0.02139340
20.82529020 -9.56575695 -4.28391830
-0.00038476 0.00000258 -0.00029843
-0.03770779 -0.01996419 0.01800154
2.75866117 -10.86006695 6.74744522
-0.00021957 0.00000642 -0.00004871
0.02504500 0.00429878 -0.01061055
-1.86757627 -1.81354497 -19.37674089
-0.00013740 0.00008672 0.00028659
0.00104825 0.00977260 -0.00497005
-0.59236556 5.25568993 -11.29797776
-0.00025452 0.00033719 -0.00010817
-0.05441542 -0.02368334 0.02640844
-4.87715896 15.49412463 13.72250397
-0.00005505 -0.00004015 0.00052874
0.00297136 -0.00049576 0.00662677
-4.97875718 3.14226965 -8.06093240
-0.00000657 0.00027366 -0.00029872
0.00412281 0.00581123 0.03674045
-8.56325892 0.05357928 -4.33889951
0.00020854 -0.00009537 0.00034782
-0.01587065 -0.01675050 0.01510159
3.02057877 27.76033204 5.64614896
0.00020858 -0.00040462 -0.00001458
-0.00053945 -0.01063490 0.01155834
8.63327598 -9.61378741 -2.09606654
-0.00018689 -0.00006494 0.00001424
0.04103191 0.01504785 0.01338923
-6.25077433 1.36314845 10.01632641
0.00003118 -0.00011797 0.00028167
0.00240588 -0.00465551 -0.01341142
19.78273330 9.54175440 5.92005125
0.00018795 -0.00003803 -0.00033384
0.05393472 0.02267316 0.00746999
-3.38962121 0.57762143 -24.27770895
0.00019542 -0.00012486 0.00022508
-0.03214050 -0.00108091 -0.01475036
-13.64731022 8.47399961 9.43269413
-0.00006249 0.00009974 -0.00011182
-0.00667866 0.00774592 -0.01551043
-13.70952760 5.71498289 -3.93836525
0.00033240 -0.00027334 -0.00017719
-0.00257049 0.02850326 0.00925496
-3.77969025 -15.06440341 21.28060207
0.00000978 -0.00001063 0.00015332
-0.00825207 -0.01237576 -0.02039066
-6.37041379 8.61973735 -6.44028346
-0.00013815 0.00019499 0.00029630
0.00800528 -0.02679338 -0.00728741
-19.73703191 30.42098642 1.31752091
0.00016222 0.00035097 0.00017128
-0.03851413 0.00750411 0.00270120
10.27144062 3.71998503 8.11318591
-0.00013358 0.00042704 -0.00005045
-0.02269722 -0.03301186 -0.02786523
7.38037525 16.51706638 -11.70998930
-0.00027227 -0.00005400 0.00020250
-0.01119212 0.00062105 0.01273322
14.06709679 4.40183182 -0.50981295
0.00012752 -0.00041785 0.00037769
-0.01683722 0.04436062 -0.04674256
-5.83379564 11.88326891 -1.28482783
-0.00030115 0.00002511 -0.00008975
0.04256983 -0.02404676 -0.03457282
8.39124929 11.30868434 4.92223248
0.00014122 -0.00046530 -0.00001505
-0.00188860 0.02899549 0.00251995
19.88663503 -11.18311032 -10.61937338
0.00007455 -0.00012700 -0.00021398
-0.01369367 0.02346086 0.00912945
19.25806242 -5.78348485 -0.16198861
0.00011653 0.00029572 0.00010885
-0.00057049 0.00408687 0.00187792
15.88416110 7.56363171 9.62713976
-0.00017768 -0.00015746 0.00009268
-0.00473226 0.02042281 0.01227721
3.78501622 -14.62437519 16.58454864
-0.00022498 -0.00007631 0.00005344
0.00915341 -0.01156352 -0.00446051
-3.74908381 -2.54531423 -14.02990643
-0.00029964 0.00011718 -0.00043348
0.01094028 0.02075484 -0.00237212
16.28200544 -6.43740052 -13.17785795
0.00000839 0.00025873 0.00008001
-0.01461938 -0.01253390 0.00166354
10.58692307 -4.49711245 6.56307682
0.00005551 -0.00024771 0.00029067
-0.04100080 0.00097504 0.01866904
-19.59555272 0.87631617 25.18169876
-0.00025639 0.00026792 0.00023830
0.02663239 0.04527900 0.00760174
24.01309832 -0.74368123 -7.40614375
-0.00014899 -0.00002395 0.00013975
-0.00615374 0.00414982 -0.02785022
11.52874377 -9.73365412 -11.17804272
0.00001339 -0.00001100 0.00012066
-0.02802961 -0.01502390 -0.01065938
-9.75295474 -9.93420902 16.75104309
-0.00019235 0.00009851 0.00026840
0.03492981 0.00396940 0.00218080
7.33644043 0.05102095 -28.62268336
-0.00013838 -0.00037165 -0.00012827
0.01931016 -0.00583629 0.00026996
12.59388232 17.78506298 12.26986286
0.00001224 -0.00004624 0.00015600
-0.00927893 0.02008484 0.02488840
25.98109862 7.51940413 -11.16363741
0.00008352 0.00026513 0.00002562
0.00620565 -0.00034625 0.00678054
3.96351086 -29.70458153 -4.88069639
0.00090534 -0.00024289 0.00030991
-0.00085282 -0.01268019 0.00088925
3.30309971 -30.45047478 -2.06978720
-0.00024072 0.00067998 -0.00008222
-0.00016093 -0.01760025 -0.02521407
-9.54262118 2.97237509 -8.87573032
0.00060337 -0.00052498 -0.00010631
-0.03197735 -0.01503238 -0.00738633
-11.63607670 2.75552365 -11.11489914
-0.00020733 0.00067251 -0.00052043
0.00698908 -0.00258969 0.01243716
-36.76934889 3.49485544 2.97486840
-0.00013090 -0.00029249 0.00015372
-0.00796708 0.00279012 0.00207709
-38.76669143 1.54421442 3.99914261
-0.00063852 -0.00015657 0.00064619
0.00541940 0.00051913 -0.00455944
-9.17264536 -4.44587005 1.97951744
0.00000509 -0.00159371 0.00065234
0.01248738 0.00732531 0.00261795
-6.32953342 -4.78365763 2.60350107
-0.00037524 -0.00037408 -0.00010224
-0.00155818 0.00032045 0.00271181
3.39193573 -1.22895938 8.90488583
-0.00059927 0.00071913 -0.00044354
0.02293171 -0.02538802 -0.01824985
1.59269721 0.94643925 8.23857610
-0.00045167 -0.00045588 -0.00000687
0.01453489 -0.01343189 0.02616154
-30.81213728 -0.33246364 3.75898877
0.00017619 0.00086582 -0.00062233
0.01297833 -0.01246325 -0.00546604
-33.17528610 1.24656149 3.64499556
-0.00009852 -0.00076961 0.00109559
0.02804761 0.00880038 -0.00381415
15.39385046 12.11680963 -18.62343616
-0.00134563 -0.00014527 -0.00055204
-0.00592476 -0.01548970 -0.00353557
18.00971407 12.27345369 -17.27516241
0.00037960 -0.00055757 -0.00009529
0.00683015 -0.01878084 -0.00353398
-2.58903555 6.26854615 4.89357052
0.00091458 -0.00073579 -0.00038325
0.01099002 0.02119463 0.01985650
-3.69170152 5.74221550 2.39540579
0.00038694 0.00004643 -0.00101450
0.00614795 -0.01897911 0.02168775
5.91402718 17.19069476 -8.11916888
0.00090741 0.00117157 -0.00114860
0.01291578 0.00037144 -0.01739277
5.61664248 18.65496587 -5.49611010
0.00014778 -0.00029484 0.00062968
-0.00594376 -0.02801682 -0.02992497
9.04479891 6.42244455 -22.56767168
-0.00018315 0.00001595 -0.00030812
-0.00802280 -0.00153767 -0.01522862
9.70953938 7.59378678 -19.97693880
-0.00028328 0.00100049 0.00011624
-0.02443348 0.00668505 -0.01692550
19.64792750 20.42781049 -4.35173823
-0.00043452 0.00081279 -0.00003698
-0.00618576 -0.02752464 0.00051464
21.17791569 19.68618360 -6.50084716
0.00087034 -0.00040201 0.00004204
-0.01505209 -0.02240075 0.01306089
1.64573769 13.04054877 -20.60004687
-0.00049627 0.00061457 0.00060372
0.01779905 0.00634257 0.00140686
0.27259954 15.06137786 -21.88220806
0.00041666 -0.00063928 0.00039347
0.00826650 0.01569319 -0.00206386
9.72632070 -7.18215332 -0.51213616
0.00009029 0.00041994 -0.00004538
0.01527713 0.02948887 0.00778409
9.23756026 -4.22101012 -0.35930141
0.00033563 0.00006106 0.00008840
0.02090164 -0.01314600 0.00555859
-17.12004555 -6.52493800 6.19772558
-0.00014339 -0.00003782 0.00019673
0.00752086 0.00155827 0.00908953
-18.07162689 -5.31398644 3.87644762
-0.00027982 0.00012675 -0.00055037
0.02122794 -0.00157799 -0.00373986
-14.24710976 -0.89219876 18.98394822
0.00016297 0.00037861 -0.00115567
0.00352090 -0.00980769 0.01291751
-15.15735870 -0.16988945 21.60198284
-0.00043765 0.00022589 -0.00002951
0.00946397 -0.01816852 0.00177043
-0.13355861 2.99574279 -3.39561869
-0.00000888 -0.00008437 -0.00006403
-0.01982742 -0.02383125 0.02369953
1.15152794 2.32192396 -5.96856857
0.00068372 -0.00014480 0.00028278
-0.00235389 -0.01422005 0.00501451
20.14390378 -9.04231442 -5.84238115
0.00097478 0.00032199 -0.00029040
-0.00539400 0.01075036 -0.01847286
22.57802961 -9.25711007 -4.27371291
-0.00132391 0.00066873 -0.00089348
0.03371809 0.00549432 -0.00404027
4.59993654 -11.20511029 6.51969581
0.00131662 -0.00021179 -0.00074033
-0.02904995 -0.00053547 0.00015658
2.42234126 -11.29485342 8.47004757
-0.00049492 0.00056926 0.00107867
0.00374075 -0.00316909 0.01297337
-2.61812421 -3.20490130 -20.30485338
-0.00036880 -0.00162141 0.00000861
0.00277586 -0.00680785 -0.00061619
-2.90612550 -1.56053825 -17.90902876
-0.00051216 -0.00084313 -0.00042933
-0.00079144 -0.00106515 0.00566743
1.12941953 5.69603138 -11.40434655
0.00124041 -0.00001496 0.00066752
0.03003973 0.00337256 0.00947125
-1.06137655 4.38384596 -9.65965171
0.00009392 0.00067907 -0.00019812
0.01379057 0.02030786 -0.03359859
-4.08968892 16.87577919 14.64595590
0.00092439 0.00155805 0.00033474
0.00471268 -0.00082427 0.00511698
-6.60119401 16.08425453 13.54576238
0.00003338 -0.00000968 -0.00068186
-0.00429089 -0.00114226 0.00310042
-5.28621125 2.09172457 -6.58064369
0.00047479 -0.00010028 -0.00012858
0.00221166 0.00712644 -0.00722870
-5.32969530 2.06629385 -9.50036152
0.00055626 -0.00039604 -0.00064257
-0.00522768 -0.00001483 -0.01242756
-9.28059819 -1.68852185 -4.41273054
0.00025097 0.00020379 0.00019156
0.01068216 0.02863041 0.00559526
-9.52074585 0.95849907 -3.00610626
0.00000242 -0.00154096 -0.00022028
0.01079108 -0.01069616 -0.01580589
2.38165793 29.04011087 4.55316423
-0.00058342 0.00077777 -0.00022274
-0.00055018 0.01083550 -0.01708080
2.17831727 28.13004415 7.21420818
-0.00070554 -0.00049907 -0.00102821
0.00392249 -0.00326454 0.00322803
7.05987767 -9.75487775 -2.86171709
-0.00056986 0.00112917 0.00126855
-0.04417422 -0.00851461 -0.01140366
8.99685762 -11.00174907 -0.99660012
-0.00001202 -0.00020292 -0.00079919
-0.00790999 -0.01580944 0.00299741
-5.33444064 -0.17232224 9.48078807
0.00142064 -0.00027212 -0.00108083
0.00196667 -0.00523739 -0.00887033
-8.00356363 0.94275968 9.93467891
0.00018823 0.00104546 -0.00000952
-0.01115474 -0.00248572 0.00158348
19.08553194 9.70930773 7.62302971
-0.00094654 0.00026989 -0.00000989
0.00647858 -0.00473353 -0.00385152
21.66057014 10.13407378 6.01517887
0.00075054 -0.00045153 -0.00020412
-0.04784443 -0.01472223 0.00049952
-3.12380346 0.63833280 -22.47197929
-0.00107064 0.00005057 -0.00115434
-0.00216474 -0.00649010 0.00452668
-5.26460696 0.36858099 -24.61095461
-0.00096424 -0.00062245 -0.00061356
0.03096529 0.00555278 0.00906236
-12.82248353 9.55249907 10.65761792
0.00007660 0.00008090 -0.00012262
0.00378301 0.00233007 -0.00675506
-13.71882833 9.53608092 7.85131227
-0.00083306 -0.00004417 -0.00070271
0.00256713 -0.00932988 0.01517405
-13.66884486 4.20544443 -4.83909285
0.00060284 0.00038785 0.00067119
0.00679480 -0.03642924 -0.01815085
-15.07518739 6.60832095 -4.79980793
-0.00071044 -0.00010773 0.00087102
-0.00098400 0.00331829 0.00802224
-5.38773715 -16.02426976 21.00717910
0.00026213 0.00064801 -0.00043060
0.00719274 0.00372280 0.01070188
-2.98103136 -15.28770252 19.63172099
-0.00001929 0.00063190 0.00043256
-0.00045879 0.00512542 0.00911073
-6.54027057 6.77332160 -6.59572224
-0.00001973 -0.00016162 -0.00002133
0.00415287 0.01618501 0.00041014
-7.87368427 9.21357106 -5.60263090
-0.00133209 -0.00040732 -0.00090578
-0.00561295 0.00652730 -0.00061134
-21.01370143 30.92508467 0.07285721
-0.00034456 -0.00050544 0.00039279
0.01940617 -0.00769282 0.00811506
-18.07795820 30.38691458 0.65656668
-0.00090963 -0.00081813 -0.00078102
0.01916592 0.00160606 -0.01273543
8.91822204 3.03362732 6.87655476
-0.00085201 -0.00037973 -0.00012781
0.02857265 0.01240355 0.02255962
9.73891356 5.40808466 8.46933161
-0.00009746 -0.00080381 0.00018531
-0.00639989 0.02231532 0.00395096
8.51322179 17.80531636 -12.30366180
0.00034894 -0.00002831 -0.00013505
0.00215238 0.00547397 -0.00817053
8.59910723 15.20608103 -11.38624492
-0.00035387 0.00023817 -0.00053813
0.00069667 -0.00972345 0.00313385
12.84429601 5.74703078 -0.00559681
0.00018615 0.00080954 0.00019370
0.02633003 -0.02641763 0.00445637
14.34099499 3.21623560 0.77585066
-0.00053791 -0.00048141 0.00064852
-0.00873894 -0.01705789 0.03731669
-4.59627227 11.76829885 -2.77006824
-0.00070223 0.00070493 0.00082211
-0.02516689 0.02017900 0.02320402
-5.30355003 10.12964473 -0.80912434
0.00027008 -0.00029614 -0.00094234
-0.01430750 0.01398809 0.01179558
7.75387438 13.08551415 4.74070809
0.00052722 -0.00164885 -0.00004244
0.01737621 -0.02456514 -0.00050473
10.24355244 11.27465241 4.55155829
0.00018155 -0.00041536 0.00004130
-0.01913998 -0.00084142 0.00297923
19.01005236 -10.95354306 -9.01416521
0.00136025 0.00078483 -0.00075490
0.00058154 0.00192130 -0.00975841
20.58068716 -12.81414415 -10.45213271
-0.00056489 0.00085261 0.00058334
0.01389271 -0.02899991 -0.00101457
19.05201790 -4.89467231 -1.76030671
0.00079690 -0.00022777 0.00053368
0.00267946 -0.01200168 0.00051253
18.26695567 -7.34452628 -0.20810505
0.00004285 -0.00019898 0.00016072
-0.00452065 -0.00106025 -0.00603408
14.87265888 9.08242786 9.30590087
-0.00103514 -0.00022792 -0.00022463
0.00569232 -0.01324610 0.00151066
16.61879982 7.85422845 11.30162520
0.00009117 0.00041981 -0.00003908
-0.00693642 -0.00407723 -0.01150142
2.80630654 -15.80511074 17.57916004
0.00056616 -0.00116038 -0.00033770
-0.00482272 -0.01211998 -0.00673786
3.26100403 -13.03503518 17.20364219
-0.00011525 0.00081154 -0.00053573
-0.00189569 0.02790214 0.00258336
-4.38337812 -4.32102770 -13.68616454
-0.00085699 -0.00003289 -0.00007413
0.00380545 0.01057820 0.00206381
-2.07143428 -2.27726549 -13.37134308
0.00002469 -0.00008292 0.00016461
-0.00121452 -0.00648075 -0.00086916
16.04822219 -7.30371664 -14.78016301
0.00027487 -0.00014170 0.00038251
0.00400439 -0.01430967 -0.01381948
17.23789557 -7.45548878 -11.98068105
0.00039258 0.00027193 0.00063181
-0.00149770 0.00036195 -0.00058294
9.21231370 -4.26609632 5.31621466
-0.00064595 0.00035446 0.00104543
0.02148011 -0.00577468 0.00858864
12.21697100 -4.37341277 5.88024249
-0.00081557 0.00111178 0.00002437
0.02171573 0.00538096 -0.02705465
-20.97169177 -0.11138829 24.67237661
0.00042396 -0.00094383 0.00062052
-0.03192765 -0.01995723 -0.00515043
-20.12853598 2.67787908 25.23519803
0.00028722 0.00003028 -0.00042452
0.00184532 -0.02419532 0.00452584
24.63388052 -2.42633467 -7.01015791
0.00041465 0.00053707 0.00043940
0.00919452 -0.00341118 -0.00271861
24.04782814 -0.63889047 -9.30582754
-0.00024910 0.00011068 -0.00042172
-0.00008126 0.00232730 0.01862045
12.38038766 -10.15591634 -9.67402746
-0.00006486 0.00068127 0.00080555
0.01597575 0.00170750 0.02671079
12.48885808 -8.51530934 -12.05278232
0.00049538 0.00003253 -0.00001687
0.01416788 0.01290462 -0.00978792
-9.21193717 -9.19336070 18.34661377
0.00114674 -0.00039586 0.00046865
0.01159518 -0.00821735 -0.00523171
-11.44725803 -9.48839484 16.84645405
0.00069521 0.00067084 0.00043146
-0.04180492 0.00313058 -0.00044236
8.48731345 0.24300524 -30.07448105
0.00077276 -0.00015746 0.00032391
0.00080608 0.00735853 0.01239571
5.70516878 0.50724663 -29.20808279
-0.00002932 -0.00116537 -0.00013220
-0.01897764 0.00379500 -0.00508976
12.54598015 19.61849308 12.45021092
0.00027462 0.00087030 -0.00013673
-0.00121237 -0.00851109 0.00144551
13.39154678 17.51915665 10.69481637
-0.00094906 0.00069656 -0.00113499
0.01261943 -0.00322653 -0.02274507
27.81921463 7.71866023 -11.56882055
0.00062333 0.00000526 -0.00026554
-0.01413962 -0.00279528 0.00402554
25.74823803 7.15845929 -9.35670281
-0.00033845 -0.00012155 -0.00032302
0.01206320 0.01093649 -0.00672950
-7.03607745 4.54764536 6.66406263
0.00025943 -0.00012012 -0.00010236
-0.00239559 -0.00306523 -0.00632763
-8.87189786 8.70103039 3.87963723
0.00020547 -0.00013346 0.00000269
-0.00677203 -0.00710901 -0.00349886
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07916210
0.32318435
430.62694992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3567938115 (a.u.)
total exchange computation time: 3.1284520626 s
-153.8745281216
-931.39845891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3566529669 (a.u.)
total exchange computation time: 3.1285140514 s
-153.8763649424
Anderson extrapolation: theta=1.3732045858 (1.3732045858)
-931.39867793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3563702613 (a.u.)
total exchange computation time: 3.1265897751 s
-153.8794488986
Anderson extrapolation: theta=0.0618845753 (0.0618845753)
-931.39881370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3562802813 (a.u.)
total exchange computation time: 3.1285049915 s
-153.8801449927
Anderson extrapolation: theta=2.1939085476 (2.0000000000)
-931.39882056
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3560773660 (a.u.)
total exchange computation time: 3.1287770271 s
-153.8816502995
Anderson extrapolation: theta=0.3381652555 (0.3381652555)
-931.39882930
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3560070611 (a.u.)
total exchange computation time: 3.1283679008 s
-153.8821176468
Anderson extrapolation: theta=1.2369504278 (1.2369504278)
-931.39883158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3559390764 (a.u.)
total exchange computation time: 3.1285281181 s
-153.8825090887
Anderson extrapolation: theta=0.4165231615 (0.4165231615)
-931.39883368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3559312350 (a.u.)
total exchange computation time: 3.1275501251 s
-153.8824863905
Anderson extrapolation: theta=0.8849580300 (0.8849580300)
-931.39883441
73.928972 111.830364 -295.530781
545.338025 1080.726005 -416.436694
619.266997 1192.556369 -711.967475
1520.716933
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3559399287 (a.u.)
total exchange computation time: 3.1291799545 s
678.57118967
-1083.14247342
89.83517910
-389.53132228
-174.77546803
77.92091404
551.60419304
0.00000000
-931.39883488
3.54573251 -31.22058945 -3.85318802
-0.00031156 0.00045211 -0.00005081
0.00860281 0.02713749 0.02736789
-11.19833905 2.15918094 -9.35819004
-0.00012246 -0.00027705 -0.00003429
0.02702794 0.01310010 -0.01053306
-36.95042542 1.99167038 3.99141578
0.00058768 0.00032553 0.00005676
0.00127531 -0.00708009 0.00580585
-7.71971204 -3.64034172 2.91067924
-0.00003074 -0.00006894 -0.00026824
-0.01786547 -0.01281062 -0.00685070
2.37290070 -0.02258151 9.67230710
0.00025755 0.00005000 -0.00012696
-0.04058328 0.04085441 -0.00682627
-31.28753825 1.40099796 3.48939518
-0.00009640 -0.00007332 0.00001213
-0.03942884 0.00572916 0.00940220
16.50700209 13.18399277 -17.68206838
0.00031000 0.00008404 0.00013819
-0.00463247 0.03963873 0.00597338
-3.33227367 4.87772454 4.04148652
-0.00022960 -0.00014012 -0.00050191
-0.01647722 -0.00711624 -0.04351178
4.84014867 17.35222867 -6.67363496
-0.00012417 -0.00010508 -0.00014068
0.00428664 0.02300193 0.03770490
8.29805837 7.46226764 -21.27431547
0.00010230 0.00041852 -0.00015285
0.02473090 -0.00278913 0.02647545
19.96018300 18.80471717 -5.32466959
0.00058274 0.00002011 0.00002585
0.01580770 0.05485603 -0.00787260
2.04044561 14.65990012 -21.40333227
-0.00013065 -0.00013615 0.00004591
-0.02321712 -0.01646344 0.00436566
10.55462804 -5.52393630 0.04032328
0.00010941 0.00004455 -0.00009165
-0.02468979 -0.01084975 -0.00770151
-16.45490456 -5.57933741 4.78057378
0.00019140 -0.00010727 -0.00015225
-0.03358405 -0.00264348 -0.00403056
-14.19725182 -1.52509797 20.76027781
0.00005747 0.00006968 0.00008861
-0.02021761 0.03879401 -0.02344760
0.66186206 3.63905516 -4.81882999
-0.00052359 0.00001513 -0.00006276
0.01999565 0.03581095 -0.02379380
20.81937335 -9.56579522 -4.28832536
-0.00040505 -0.00000808 -0.00028874
-0.04120238 -0.02151315 0.01969880
2.75546423 -10.85995407 6.74667357
-0.00020498 0.00000782 -0.00005277
0.03169492 0.00116038 -0.00517552
-1.86963323 -1.81220651 -19.37246117
-0.00013750 0.00008935 0.00028193
-0.00144009 0.00044962 -0.01317611
-0.59639320 5.26065637 -11.29949843
-0.00027919 0.00032599 -0.00009511
-0.04151406 -0.01985145 0.02436555
-4.87797321 15.49352044 13.73046061
-0.00005231 -0.00003856 0.00053322
0.00767906 0.00667344 0.01079735
-4.97883980 3.14639704 -8.06527149
-0.00000471 0.00027580 -0.00028015
0.00309582 0.00248217 0.03546285
-8.56019202 0.05208416 -4.33362400
0.00020126 -0.00010448 0.00035452
-0.01242687 -0.01868283 0.01097143
3.02370540 27.75422176 5.64597478
0.00020766 -0.00040819 -0.00001110
-0.00306136 -0.00327852 0.00199972
8.63063088 -9.61470340 -2.09580126
-0.00016546 -0.00005664 0.00002080
0.04229305 0.01722953 0.01212374
-6.25029732 1.36136095 10.02049979
0.00003432 -0.00012129 0.00027429
0.00978766 -0.00827603 -0.01529555
19.78576066 9.54127138 5.91507248
0.00021537 -0.00002630 -0.00032894
0.05268308 0.02295259 0.01159389
-3.38681394 0.57574432 -24.27438961
0.00017667 -0.00012576 0.00021402
-0.04074831 -0.00240881 -0.02827288
-13.64827334 8.47552563 9.43095693
-0.00006608 0.00010391 -0.00012015
-0.00727062 0.00844936 -0.01687734
-13.70455154 5.71099271 -3.94098736
0.00033050 -0.00025628 -0.00017133
-0.00479507 0.03783492 0.01353303
-3.77957541 -15.06461055 21.28282323
0.00000579 -0.00001644 0.00014341
-0.00725286 -0.01022294 -0.01816103
-6.37245517 8.62255889 -6.43586712
-0.00013458 0.00018075 0.00029278
0.00586411 -0.02857811 -0.00639319
-19.73474724 30.42627998 1.32010060
0.00014132 0.00035494 0.00017323
-0.04275532 0.00790847 0.00485170
10.26934935 3.72626325 8.11232165
-0.00014508 0.00040755 -0.00006554
-0.02201599 -0.04276177 -0.03078796
7.37624797 16.51625875 -11.70690266
-0.00027775 -0.00005231 0.00020853
-0.01011230 0.00597516 0.01071540
14.06894468 4.39573516 -0.50432788
0.00011836 -0.00039450 0.00035422
-0.01880434 0.04646016 -0.04455026
-5.83814873 11.88355274 -1.28630751
-0.00027991 0.00001256 -0.00010643
0.04004016 -0.02472824 -0.03027168
8.39336025 11.30181664 4.92201644
0.00014091 -0.00045219 -0.00001356
0.00068416 0.02197958 0.00328839
19.88770046 -11.18492486 -10.62254786
0.00006749 -0.00011313 -0.00021097
-0.01377319 0.03049934 0.00258362
19.25980811 -5.77903328 -0.16034860
0.00011594 0.00029641 0.00011098
-0.00169971 -0.00139297 0.00641034
15.88147765 7.56134859 9.62857728
-0.00018051 -0.00014634 0.00009884
-0.00626822 0.02281148 0.01167976
3.78167679 -14.62556450 16.58533304
-0.00022035 -0.00008127 0.00005140
0.00887987 -0.00770781 -0.00345575
-3.75353623 -2.54347641 -14.03641775
-0.00029322 0.00012787 -0.00043422
0.01402479 0.02079955 -0.00051961
16.28207491 -6.43356797 -13.17665143
0.00000142 0.00025177 0.00008163
-0.01247308 -0.01452402 0.00466356
10.58759758 -4.50082440 6.56750887
0.00003324 -0.00024739 0.00030075
-0.04558611 0.00030275 0.02053195
-19.59929577 0.88050969 25.18530261
-0.00024227 0.00029032 0.00024215
0.02825325 0.04179597 0.00738044
24.01083975 -0.74402450 -7.40415491
-0.00015227 -0.00002123 0.00012463
-0.00662394 0.00643646 -0.03094553
11.52883642 -9.73387701 -11.17627396
-0.00000000 -0.00001833 0.00011555
-0.02402846 -0.01350370 -0.00918949
-9.75570522 -9.93271608 16.75507748
-0.00017258 0.00010028 0.00026991
0.04194683 0.00290256 0.00368219
7.33443927 0.04542365 -28.62460637
-0.00012759 -0.00037479 -0.00012797
0.02261658 -0.00638048 0.00089643
12.59403016 17.78444683 12.27229884
0.00000815 -0.00003453 0.00016752
-0.00663614 0.02547356 0.01991541
25.98237542 7.52337975 -11.16322692
0.00008729 0.00026503 0.00002854
0.00842731 -0.00005207 0.00455874
3.97706478 -29.70861348 -4.87602043
0.00090236 -0.00028982 0.00030950
-0.00060231 -0.01029351 -0.00108982
3.29948401 -30.44081445 -2.07179312
-0.00024181 0.00060701 -0.00018560
-0.00037381 -0.01811706 -0.02539131
-9.53455049 2.96403974 -8.87755127
0.00046846 -0.00058814 -0.00013723
-0.03406405 -0.01588333 -0.00774842
-11.63897245 2.76553201 -11.12232441
-0.00017730 0.00065866 -0.00046318
0.00770908 -0.00419446 0.01558561
-36.77155657 3.49055359 2.97723788
-0.00016184 -0.00027264 0.00015668
-0.00717818 0.00692879 -0.00062893
-38.77610319 1.54188184 4.00869573
-0.00060093 -0.00015085 0.00062682
0.01298204 0.00227709 -0.00492331
-9.17218629 -4.46955130 1.98938276
0.00005609 -0.00156068 0.00066321
0.01247661 0.00884286 0.00270532
-6.33520974 -4.78925908 2.60205053
-0.00037919 -0.00037316 -0.00009054
-0.00037516 0.00013453 0.00301906
3.38364933 -1.21895035 8.89767351
-0.00049635 0.00060420 -0.00052413
0.02744822 -0.03087455 -0.02120129
1.58636761 0.93918942 8.23927475
-0.00039322 -0.00050879 0.00009954
0.01407393 -0.01246529 0.02592744
-30.80909669 -0.31985827 3.74948627
0.00023371 0.00080132 -0.00064271
0.01517923 -0.01910705 -0.00450623
-33.17590448 1.23528707 3.66131257
0.00001662 -0.00073216 0.00107879
0.02831688 0.00952753 -0.00441277
15.37348447 12.11415599 -18.63182507
-0.00135378 -0.00019515 -0.00055333
0.00193391 -0.00892842 0.00290421
18.01561730 12.26451466 -17.27670009
0.00040262 -0.00063249 -0.00011150
0.00444139 -0.01789515 -0.00440058
-2.57498006 6.25815870 4.88843019
0.00095801 -0.00065107 -0.00030395
0.01026628 0.02027703 0.01896465
-3.68570897 5.74233032 2.38085283
0.00041248 -0.00003245 -0.00092150
0.00635005 -0.01963233 0.02383989
5.92803413 17.20827963 -8.13693090
0.00094744 0.00117399 -0.00120322
0.00667663 0.00081448 -0.00934170
5.61867698 18.64968467 -5.48758192
0.00012142 -0.00041175 0.00050504
-0.00695519 -0.02920908 -0.03108521
9.04180586 6.42263662 -22.57276013
-0.00021613 0.00001171 -0.00036673
-0.00812051 -0.00053473 -0.01345895
9.70454147 7.60899891 -19.97571390
-0.00038183 0.00102615 0.00004624
-0.02380966 0.00587580 -0.01733705
19.64122012 20.43915894 -4.35227716
-0.00045682 0.00069359 -0.00003935
-0.00472864 -0.03082553 -0.00167378
21.19050953 19.67946700 -6.49981626
0.00080887 -0.00049195 0.00009609
-0.01503803 -0.02162294 0.01339517
1.63883907 13.04996174 -20.59094803
-0.00042287 0.00063517 0.00061186
0.01812961 0.00373966 0.00258041
0.27910275 15.05226952 -21.87636923
0.00044236 -0.00057162 0.00038177
0.00431287 0.01742714 -0.00366284
9.72814324 -7.17495065 -0.51257836
0.00015139 0.00053645 -0.00001448
0.01462886 0.02754814 0.00734261
9.24323514 -4.22049703 -0.35780512
0.00041909 0.00000959 0.00011062
0.01995345 -0.01204860 0.00532003
-17.12196601 -6.52545754 6.20095507
-0.00011108 -0.00002867 0.00022901
0.00829949 0.00292087 0.00671322
-18.07517369 -5.31213358 3.86807749
-0.00018629 0.00011875 -0.00056105
0.02455327 -0.00233851 -0.00149019
-14.24455727 -0.88682017 18.96700901
0.00017689 0.00033439 -0.00108915
0.00328989 -0.01183863 0.01964260
-15.16363348 -0.16705791 21.60159447
-0.00039673 0.00014908 -0.00002465
0.01056591 -0.01942963 0.00060766
-0.13429940 2.99374693 -3.39585285
-0.00009080 -0.00018289 0.00003530
-0.02027432 -0.02439584 0.02491934
1.16171158 2.31931620 -5.96417326
0.00067294 -0.00020040 0.00030544
-0.00292059 -0.01299594 0.00607818
20.15836017 -9.03715512 -5.84730320
0.00094667 0.00036752 -0.00037184
-0.00836354 0.01153652 -0.02139479
22.55920417 -9.24691075 -4.28723885
-0.00117290 0.00069284 -0.00090675
0.04020332 0.00630761 -0.00245865
4.61879573 -11.20830349 6.50859559
0.00117920 -0.00021113 -0.00073512
-0.03822258 0.00085428 0.00239440
2.41503213 -11.28641160 8.48662518
-0.00047462 0.00055960 0.00111574
0.00619347 -0.00155980 0.00517318
-2.62357119 -3.22943105 -20.30474315
-0.00034779 -0.00163277 0.00001537
0.00751107 0.00124477 0.00392710
-2.91383215 -1.57321780 -17.91529498
-0.00051925 -0.00084515 -0.00039904
-0.00268166 0.00007294 0.00915846
1.14894614 5.69591034 -11.39404350
0.00133996 -0.00000602 0.00070532
0.01869061 0.00100087 0.00902918
-1.05954521 4.39465438 -9.66365304
0.00014749 0.00075918 -0.00033122
0.01243557 0.01890220 -0.03155534
-4.07567869 16.89912470 14.65113381
0.00093303 0.00153918 0.00034580
-0.00048355 -0.00841284 0.00029458
-6.60082482 16.08407433 13.53562954
0.00001706 -0.00001327 -0.00066813
-0.00369800 -0.00061327 0.00362054
-5.27902166 2.09043880 -6.58279396
0.00048441 -0.00006876 -0.00016101
0.00249636 0.00830232 -0.00864208
-5.32151155 2.06035284 -9.51038090
0.00053590 -0.00039128 -0.00068748
-0.00474174 0.00234391 -0.00955818
-9.27650634 -1.68458769 -4.40968574
0.00029403 0.00031549 0.00021288
0.01039520 0.02605004 0.00484160
-9.52037883 0.93505695 -3.00989477
0.00004015 -0.00157567 -0.00027474
0.00767695 -0.00629787 -0.01085436
2.37288979 29.05210945 4.54929977
-0.00057686 0.00080662 -0.00028145
0.00375942 0.00328568 -0.01166121
2.16785439 28.12245813 7.19888402
-0.00069296 -0.00051209 -0.00100663
0.00223254 -0.00311279 0.00733140
7.04997614 -9.73820116 -2.84303835
-0.00075359 0.00109415 0.00122089
-0.04576272 -0.00862453 -0.01192531
8.99643497 -11.00527738 -1.00849610
-0.00004357 -0.00027152 -0.00078355
-0.00753665 -0.01776889 0.00465641
-5.31307071 -0.17656457 9.46430377
0.00141878 -0.00028404 -0.00111318
-0.00287903 -0.00059650 -0.00696330
-8.00108195 0.95836541 9.93458466
0.00013754 0.00103164 -0.00000384
-0.01366002 -0.00427941 0.00119396
19.07153238 9.71321105 7.62276337
-0.00091447 0.00024948 -0.00003502
0.00921782 -0.00525635 -0.00845269
21.67036221 10.12684966 6.01213233
0.00055240 -0.00051133 -0.00020082
-0.04914821 -0.01454755 0.00111837
-3.13992947 0.63889247 -22.48915564
-0.00107524 0.00002491 -0.00111110
-0.00008318 -0.00607257 0.01663927
-5.27812171 0.35941445 -24.61988036
-0.00082513 -0.00059775 -0.00057454
0.03713269 0.00653795 0.01004145
-12.82121855 9.55378401 10.65557156
0.00009166 0.00009074 -0.00015142
0.00358499 0.00248787 -0.00733890
-13.73124555 9.53513246 7.84123664
-0.00082113 -0.00008405 -0.00063617
0.00327408 -0.01019268 0.01739543
-13.65959410 4.21014595 -4.82958113
0.00063039 0.00022411 0.00058719
0.00669122 -0.04372543 -0.02297227
-15.08587421 6.60680664 -4.78649684
-0.00071027 -0.00009780 0.00090477
0.00106806 0.00154461 0.00849999
-5.38358476 -16.01443549 21.00104803
0.00028666 0.00065959 -0.00038690
0.00481528 0.00194563 0.01069045
-2.98133474 -15.27806692 19.63848860
-0.00001836 0.00065204 0.00046495
0.00091083 0.00473320 0.00674133
-6.54043933 6.77139329 -6.59602963
-0.00000197 -0.00009140 -0.00001966
0.00454346 0.01818626 0.00040731
-7.89383769 9.20766131 -5.61623640
-0.00135130 -0.00038132 -0.00090998
-0.00378826 0.00619881 -0.00144318
-21.01827514 30.91726738 0.07899769
-0.00026632 -0.00053650 0.00042534
0.01889257 -0.00751335 0.00782210
-18.09101532 30.37469180 0.64446114
-0.00082185 -0.00081240 -0.00083665
0.02380076 0.00119895 -0.01449649
8.90631743 3.02831142 6.87532886
-0.00073090 -0.00032591 -0.00003278
0.03070973 0.01394395 0.02396137
9.73725551 5.39671131 8.47223237
-0.00012909 -0.00069597 0.00020436
-0.00908248 0.03047209 0.00537329
8.51852190 17.80505940 -12.30593794
0.00035198 -0.00001099 -0.00016569
-0.00066650 0.00300379 -0.00682704
8.59382052 15.20935557 -11.39422079
-0.00034728 0.00019286 -0.00052359
0.00252755 -0.01245448 0.00398254
12.84789509 5.75836433 -0.00255476
0.00029872 0.00069463 0.00021015
0.02877599 -0.02982967 0.00359605
14.33265855 3.20849170 0.78672197
-0.00057476 -0.00054771 0.00079799
-0.00929835 -0.01539677 0.03584761
-4.60757688 11.77949122 -2.75702552
-0.00079850 0.00078760 0.00090675
-0.02195894 0.02028636 0.01822662
-5.29993729 10.12563126 -0.82289795
0.00021020 -0.00023776 -0.00089301
-0.01500119 0.01458893 0.01234959
7.76231518 13.06002872 4.74005606
0.00059240 -0.00173392 -0.00004592
0.01452946 -0.01708102 -0.00120152
10.24568924 11.26839626 4.55226911
0.00010378 -0.00041956 0.00005358
-0.01893007 -0.00121664 0.00303132
19.03047397 -10.94171175 -9.02578768
0.00135479 0.00079606 -0.00078206
-0.00325694 0.00357416 -0.00353879
20.57263948 -12.80224369 -10.44341368
-0.00050016 0.00071667 0.00057979
0.01779412 -0.03754218 -0.00072363
19.06405358 -4.89845661 -1.75228574
0.00080632 -0.00027144 0.00052625
0.00192761 -0.00937781 -0.00415139
18.26745992 -7.34754352 -0.20587911
0.00002767 -0.00019753 0.00013638
-0.00291311 0.00177359 -0.00588197
14.85730628 9.07860320 9.30257773
-0.00100823 -0.00028678 -0.00021682
0.00747762 -0.01556504 0.00231333
16.61995489 7.86040069 11.30068653
0.00006222 0.00040316 -0.00008654
-0.00723591 -0.00407487 -0.01172812
2.81465115 -15.82288783 17.57388814
0.00054533 -0.00120548 -0.00036460
-0.00537550 -0.00995691 -0.00643383
3.25921721 -13.02200701 17.19568536
-0.00012148 0.00091326 -0.00052704
-0.00115621 0.02189009 0.00167078
-4.39611641 -4.32119697 -13.68721325
-0.00084083 0.00001211 -0.00006597
0.00410548 0.01145415 0.00192997
-2.07110122 -2.27870793 -13.36890052
0.00001290 -0.00011061 0.00015810
-0.00455393 -0.00707153 -0.00231764
16.05246788 -7.30628060 -14.77484879
0.00029115 -0.00020072 0.00032432
0.00396630 -0.01458162 -0.01466691
17.24373840 -7.45139876 -11.97122176
0.00038239 0.00027796 0.00062502
-0.00348876 0.00258981 -0.00273858
9.20328270 -4.26095636 5.33215926
-0.00055801 0.00033065 0.00108039
0.02156792 -0.00588173 0.00852675
12.20540293 -4.35657111 5.87977901
-0.00071768 0.00113520 -0.00008989
0.02620260 0.00607993 -0.02887826
-20.96631071 -0.12615726 24.68152658
0.00029449 -0.00102269 0.00060031
-0.03144723 -0.01864822 -0.00474252
-20.12417110 2.67759183 25.22896896
0.00029110 -0.00006398 -0.00040602
0.00005229 -0.02194384 0.00452655
24.64038207 -2.41838310 -7.00365022
0.00045359 0.00051943 0.00042830
0.00986501 -0.00522721 -0.00271594
24.04408917 -0.63715900 -9.31158269
-0.00024905 0.00011919 -0.00033979
0.00010299 0.00183874 0.02148251
12.37990426 -10.14564489 -9.66112576
-0.00000372 0.00069008 0.00090825
0.01395660 0.00260388 0.02356183
12.49672298 -8.51442592 -12.05333530
0.00054928 0.00008032 -0.00005338
0.01221674 0.01048647 -0.00808442
-9.19438076 -9.19955036 18.35348316
0.00119134 -0.00043157 0.00044228
0.01023748 -0.00926585 -0.00767334
-11.43811094 -9.47823634 16.85291239
0.00051268 0.00068768 0.00043136
-0.04754434 0.00511376 0.00039416
8.49892955 0.24086877 -30.06924262
0.00077326 -0.00012703 0.00037570
-0.00055981 0.00753844 0.01295835
5.70414740 0.48988237 -29.21022178
-0.00011020 -0.00114858 -0.00015539
-0.02061077 0.00442583 -0.00625944
12.55006222 19.63128674 12.44820425
0.00026957 0.00082380 -0.00013095
-0.00125622 -0.01425015 0.00138310
13.37769751 17.52950619 10.67709451
-0.00090307 0.00068416 -0.00121746
0.00989626 -0.00284599 -0.01762358
27.82813125 7.71865345 -11.57268037
0.00056056 -0.00000661 -0.00024745
-0.01658484 -0.00301376 0.00483270
25.74353099 7.15697120 -9.36175431
-0.00028822 -0.00007697 -0.00034701
0.01252383 0.01088335 -0.00501473
-7.03219249 4.54583528 6.66251020
0.00025860 -0.00012120 -0.00010462
-0.00223012 -0.00296825 -0.00629052
-8.86882762 8.69901617 3.87967154
0.00020389 -0.00013506 0.00000188
-0.00682368 -0.00672562 -0.00354067
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07910439
0.31973048
426.02484124
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3473108121 (a.u.)
total exchange computation time: 3.1267588139 s
-153.8342896135
-931.39393789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3472030924 (a.u.)
total exchange computation time: 3.1263568401 s
-153.8358924363
Anderson extrapolation: theta=1.3420595628 (1.3420595628)
-931.39416163
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3469756851 (a.u.)
total exchange computation time: 3.1284849644 s
-153.8386039267
Anderson extrapolation: theta=0.0499767333 (0.0499767333)
-931.39429373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3468956889 (a.u.)
total exchange computation time: 3.1270360947 s
-153.8392546407
Anderson extrapolation: theta=1.8999611703 (1.8999611703)
-931.39429843
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3467188765 (a.u.)
total exchange computation time: 3.1308090687 s
-153.8406388816
Anderson extrapolation: theta=0.2188040837 (0.2188040837)
-931.39430322
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3466709190 (a.u.)
total exchange computation time: 3.1279082298 s
-153.8409713764
Anderson extrapolation: theta=1.8984906012 (1.8984906012)
-931.39430413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3465947653 (a.u.)
total exchange computation time: 3.1251430511 s
-153.8414513367
Anderson extrapolation: theta=0.2886332994 (0.2886332994)
-931.39430531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3465886783 (a.u.)
total exchange computation time: 3.1284267902 s
-153.8414387389
Anderson extrapolation: theta=1.3027897853 (1.3027897853)
-931.39430560
73.966117 111.744357 -295.632559
545.308001 1080.753186 -416.461285
619.274118 1192.497544 -712.093844
1520.732872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647376961
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3465929439 (a.u.)
total exchange computation time: 3.1278548241 s
678.43825666
-1082.85275468
89.84691533
-389.72725646
-174.75287374
77.76251590
551.60419304
0.00000000
-931.39430583
3.54109236 -31.21370315 -3.85384460
-0.00030718 0.00046539 -0.00003637
0.00843192 0.02449782 0.02880001
-11.20007174 2.15507574 -9.35874499
-0.00010838 -0.00026986 -0.00004039
0.02771814 0.01484522 -0.01318101
-36.94160537 1.99652597 3.99228960
0.00058628 0.00032033 0.00006057
-0.00670486 -0.01313851 0.00901562
-7.72024212 -3.64142524 2.90662916
-0.00004020 -0.00007577 -0.00027182
-0.01890639 -0.01374173 -0.00707350
2.37660739 -0.02167385 9.67037643
0.00023604 0.00007171 -0.00012964
-0.04305031 0.04354236 -0.00360313
-31.28913632 1.39992021 3.48961335
-0.00011710 -0.00006897 0.00001692
-0.04106976 0.01119606 0.00924096
16.51163421 13.18540625 -17.67997257
0.00030641 0.00010254 0.00013997
-0.00933815 0.03228845 0.00095064
-3.33578129 4.87559533 4.03379000
-0.00023780 -0.00014323 -0.00052419
-0.01539235 -0.00498444 -0.04311783
4.83830271 17.35074119 -6.67559975
-0.00012017 -0.00009320 -0.00012322
0.01123564 0.02321100 0.03020436
8.29968824 7.46853475 -21.27650604
0.00011475 0.00041695 -0.00013983
0.02369551 -0.00333978 0.02413831
19.96898500 18.80523042 -5.32431226
0.00059038 0.00004866 0.00002230
0.01390783 0.05614957 -0.00591010
2.03839623 14.65779439 -21.40262675
-0.00014151 -0.00014429 0.00004827
-0.01901134 -0.01519636 0.00480306
10.55617402 -5.52330986 0.03891880
0.00009732 0.00003916 -0.00009533
-0.02232794 -0.01011474 -0.00661086
-16.45216315 -5.58095664 4.77827446
0.00017327 -0.00010878 -0.00015422
-0.03689005 -0.00325071 -0.00362539
-14.19646775 -1.52390319 20.76151648
0.00004694 0.00009023 0.00007524
-0.02072684 0.04114774 -0.02852176
0.65408532 3.63942022 -4.81986323
-0.00051321 0.00003312 -0.00007526
0.02036463 0.03416598 -0.02481414
20.81313864 -9.56599945 -4.29258044
-0.00042684 -0.00001940 -0.00027840
-0.04352199 -0.02249349 0.02052130
2.75251181 -10.85983225 6.74586200
-0.00018736 0.00000772 -0.00005403
0.03679954 -0.00156615 0.00030277
-1.87170130 -1.81086459 -19.36828310
-0.00013879 0.00008739 0.00027327
-0.00358628 -0.00805410 -0.02046816
-0.60074112 5.26546966 -11.30083112
-0.00029713 0.00031687 -0.00008330
-0.02828197 -0.01562690 0.02155305
-4.87872821 15.49296772 13.73850055
-0.00004730 -0.00003345 0.00053968
0.01178397 0.01320387 0.01432790
-4.97889853 3.15054358 -8.06933700
-0.00000336 0.00027625 -0.00026239
0.00216016 -0.00071109 0.03362456
-8.55722099 0.05044491 -4.32826385
0.00019595 -0.00011445 0.00035897
-0.00822606 -0.02009657 0.00634482
3.02680842 27.74808619 5.64581604
0.00020547 -0.00040806 -0.00001239
-0.00543126 0.00379223 -0.00702617
8.62831205 -9.61548647 -2.09544246
-0.00014394 -0.00004736 0.00002650
0.04138988 0.01884709 0.01004189
-6.24974480 1.35950961 10.02455518
0.00004107 -0.00012641 0.00026596
0.01648204 -0.01163111 -0.01710784
19.78919446 9.54096543 5.91018315
0.00024191 -0.00001451 -0.00032203
0.05051599 0.02288661 0.01526141
-3.38432103 0.57384861 -24.27128838
0.00015390 -0.00012733 0.00019602
-0.04782305 -0.00368723 -0.04172562
-13.64929254 8.47711683 9.42908954
-0.00006996 0.00010836 -0.00012908
-0.00781633 0.00885833 -0.01785412
-13.69961246 5.70729442 -3.94350506
0.00032750 -0.00023487 -0.00016349
-0.00688036 0.04543145 0.01692647
-3.77951651 -15.06489655 21.28490428
0.00000235 -0.00002111 0.00013473
-0.00612019 -0.00793524 -0.01557964
-6.37445132 8.62515995 -6.43150010
-0.00013220 0.00016580 0.00028976
0.00342076 -0.02957409 -0.00535040
-19.73279242 30.43163455 1.32271771
0.00011871 0.00035908 0.00017625
-0.04514761 0.00820536 0.00690490
10.26708824 3.73221159 8.11121986
-0.00015612 0.00038336 -0.00008194
-0.02092942 -0.05130741 -0.03301756
7.37204267 16.51549720 -11.70373336
-0.00028261 -0.00004793 0.00021354
-0.00879047 0.01104511 0.00877409
14.07064749 4.38999693 -0.49918650
0.00010843 -0.00037056 0.00033214
-0.01980802 0.04661079 -0.04127905
-5.84219292 11.88364579 -1.28802072
-0.00026021 -0.00000022 -0.00012068
0.03655704 -0.02496379 -0.02513960
8.39547648 11.29511850 4.92182576
0.00014193 -0.00044299 -0.00001162
0.00329003 0.01381909 0.00422763
19.88865964 -11.18650410 -10.62570240
0.00006056 -0.00009601 -0.00021142
-0.01315345 0.03606719 -0.00435552
19.26154068 -5.77459245 -0.15865914
0.00011477 0.00029429 0.00011548
-0.00284468 -0.00686015 0.01108393
15.87874584 7.55924145 9.63010491
-0.00018410 -0.00013414 0.00010461
-0.00768319 0.02462268 0.01076871
3.77840586 -14.62681327 16.58609079
-0.00021591 -0.00008413 0.00004994
0.00835951 -0.00341954 -0.00222294
-3.75788046 -2.54147813 -14.04293308
-0.00028529 0.00013861 -0.00043403
0.01681831 0.02095445 0.00126297
16.28204815 -6.42984747 -13.17540893
-0.00000448 0.00024378 0.00008464
-0.01047408 -0.01654034 0.00700642
10.58792042 -4.50453402 6.57209931
0.00000918 -0.00024741 0.00031169
-0.04799440 -0.00038554 0.02203063
-19.60282086 0.88502565 25.18896339
-0.00022765 0.00031044 0.00024578
0.02860869 0.03647431 0.00671903
24.00853008 -0.74431812 -7.40240481
-0.00015577 -0.00001742 0.00010810
-0.00697574 0.00839601 -0.03332223
11.52874371 -9.73420407 -11.17457609
-0.00001113 -0.00002482 0.00011134
-0.01923152 -0.01171289 -0.00718358
-9.75813209 -9.93120074 16.75914028
-0.00014973 0.00010157 0.00027213
0.04691496 0.00214025 0.00495489
7.33261260 0.03977713 -28.62652246
-0.00011536 -0.00037816 -0.00012736
0.02494766 -0.00669121 0.00147065
12.59412681 17.78402721 12.27488847
0.00000548 -0.00002025 0.00017626
-0.00375170 0.03003875 0.01406763
25.98371722 7.52735497 -11.16278125
0.00009209 0.00026507 0.00003028
0.01024217 0.00023467 0.00222898
3.99058179 -29.71327627 -4.87141127
0.00090067 -0.00032657 0.00030080
-0.00022728 -0.00769271 -0.00316980
3.29584541 -30.43226445 -2.07535517
-0.00024387 0.00053255 -0.00028855
-0.00063359 -0.01833381 -0.02500471
-9.52856746 2.95473095 -8.87984709
0.00032678 -0.00065389 -0.00016906
-0.03528809 -0.01630229 -0.00783587
-11.64139573 2.77528330 -11.12879449
-0.00014463 0.00063845 -0.00039398
0.00828157 -0.00569631 0.01828826
-36.77420416 3.48667638 2.97956880
-0.00018962 -0.00023598 0.00014858
-0.00642142 0.01101574 -0.00333456
-38.78471933 1.53968882 4.01794711
-0.00053426 -0.00013834 0.00060594
0.01965140 0.00384925 -0.00529583
-9.17096258 -4.49269059 1.99941388
0.00010662 -0.00152166 0.00067417
0.01225792 0.01026118 0.00265723
-6.34090906 -4.79485229 2.60078502
-0.00037824 -0.00037299 -0.00007759
0.00083727 -0.00005253 0.00331851
3.37704513 -1.21083349 8.88916184
-0.00037746 0.00046974 -0.00061510
0.03074844 -0.03494244 -0.02332821
1.58090056 0.93117565 8.24156238
-0.00033744 -0.00055682 0.00020358
0.01323255 -0.01104908 0.02500083
-30.80512583 -0.30842390 3.73970761
0.00029996 0.00071071 -0.00065945
0.01724618 -0.02524778 -0.00368961
-33.17478744 1.22459656 3.67735914
0.00013138 -0.00069196 0.00105970
0.02785819 0.01015411 -0.00493076
15.35323701 12.11095516 -18.64003599
-0.00133081 -0.00021939 -0.00052922
0.00931091 -0.00293973 0.00889679
18.02179272 12.25447891 -17.27850746
0.00041528 -0.00070315 -0.00013131
0.00175358 -0.01669426 -0.00529566
-2.56029539 6.24901396 4.88445212
0.00099728 -0.00057206 -0.00022960
0.00895923 0.01840008 0.01742989
-3.67932726 5.74124194 2.36776092
0.00043848 -0.00011320 -0.00082117
0.00637864 -0.01989388 0.02527100
5.94245026 17.22591441 -8.15526545
0.00096211 0.00117765 -0.00122538
0.00050810 0.00097958 -0.00150830
5.62028522 18.64261336 -5.48095883
0.00009174 -0.00053207 0.00037705
-0.00757624 -0.02968761 -0.03156828
9.03831514 6.42279592 -22.57867344
-0.00024955 0.00001185 -0.00041774
-0.00823967 0.00060220 -0.01151349
9.69808436 7.62457115 -19.97555153
-0.00047681 0.00104852 -0.00002454
-0.02268206 0.00507457 -0.01731233
19.63422295 20.44861822 -4.35291866
-0.00047325 0.00056224 -0.00004995
-0.00331430 -0.03347340 -0.00351673
21.20218176 19.67142521 -6.49796442
0.00074833 -0.00057801 0.00015064
-0.01459578 -0.02050700 0.01330622
1.63305155 13.05960390 -20.58169104
-0.00034846 0.00064482 0.00062503
0.01829409 0.00098525 0.00386689
0.28587028 15.04422922 -21.87075488
0.00045147 -0.00049709 0.00036355
0.00014883 0.01905620 -0.00525539
9.73086232 -7.16605967 -0.51257056
0.00020920 0.00064369 0.00001422
0.01366893 0.02494377 0.00670503
9.25013290 -4.22072234 -0.35598279
0.00049780 -0.00003653 0.00013161
0.01857784 -0.01052754 0.00495619
-17.12337782 -6.52579806 6.20459599
-0.00007569 -0.00001402 0.00025158
0.00902135 0.00424817 0.00433319
-18.07721572 -5.31042404 3.85961603
-0.00008053 0.00010779 -0.00056316
0.02721857 -0.00302739 0.00046035
-14.24180315 -0.88216712 18.95127362
0.00018972 0.00028265 -0.00099718
0.00299170 -0.01348816 0.02537796
-15.16926071 -0.16541713 21.60124333
-0.00035194 0.00006807 -0.00002401
0.01135990 -0.02022278 -0.00029545
-0.13628272 2.99025595 -3.39455981
-0.00017294 -0.00028228 0.00013670
-0.01993182 -0.02425273 0.02472002
1.17171624 2.31591196 -5.95940545
0.00065969 -0.00025060 0.00033259
-0.00356895 -0.01157835 0.00721223
20.17230399 -9.03128880 -5.85353646
0.00090728 0.00041562 -0.00046343
-0.01092206 0.01201006 -0.02343859
22.54284264 -9.23632487 -4.30091547
-0.00099851 0.00071980 -0.00091362
0.04516168 0.00688860 -0.00090457
4.63531241 -11.21144433 6.49764211
0.00100764 -0.00020533 -0.00072121
-0.04575629 0.00198866 0.00441604
2.40810258 -11.27806537 8.50351984
-0.00044458 0.00055623 0.00112129
0.00851373 -0.00009067 -0.00245655
-2.62855785 -3.25388450 -20.30439224
-0.00030848 -0.00161274 0.00003942
0.01173025 0.00856138 0.00784514
-2.92170315 -1.58589288 -17.92099992
-0.00053375 -0.00084273 -0.00035507
-0.00441491 0.00111359 0.01236248
1.16961823 5.69585063 -11.38318707
0.00139320 -0.00000645 0.00074083
0.00737177 -0.00120698 0.00835293
-1.05695174 4.40662125 -9.66958828
0.00019493 0.00083250 -0.00045402
0.01078572 0.01699185 -0.02855723
-4.06169809 16.92195461 14.65632977
0.00092130 0.00149074 0.00033848
-0.00525602 -0.01530140 -0.00387680
-6.60068226 16.08385655 13.52571859
0.00000350 -0.00001482 -0.00065226
-0.00294096 -0.00014644 0.00414754
-5.27167908 2.08966184 -6.58547386
0.00049500 -0.00003295 -0.00019846
0.00269154 0.00922511 -0.00969400
-5.31361840 2.05455547 -9.52098606
0.00051748 -0.00037664 -0.00072038
-0.00427425 0.00482335 -0.00654372
-9.27177740 -1.67905702 -4.40634423
0.00033529 0.00041496 0.00023092
0.00980355 0.02264132 0.00398965
-9.51954131 0.91122885 -3.01434850
0.00006424 -0.00159175 -0.00030779
0.00411547 -0.00156910 -0.00532450
2.36435205 29.06430941 4.54472063
-0.00055297 0.00080522 -0.00031861
0.00793385 -0.00396977 -0.00652521
2.15752834 28.11468135 7.18400917
-0.00068732 -0.00052448 -0.00096877
0.00052995 -0.00295276 0.01120146
7.03726998 -9.72205313 -2.82509046
-0.00093942 0.00105907 0.00117319
-0.04520114 -0.00854790 -0.01142138
8.99555043 -11.00989468 -1.02010670
-0.00007372 -0.00034738 -0.00076177
-0.00722283 -0.01936713 0.00600398
-5.29187722 -0.18084344 9.44739271
0.00139752 -0.00027793 -0.00113777
-0.00752882 0.00358905 -0.00507526
-7.99943743 0.97370888 9.93456357
0.00007753 0.00101097 0.00000024
-0.01571440 -0.00584066 0.00080705
19.05809775 9.71679222 7.62197899
-0.00087156 0.00022697 -0.00007803
0.01178838 -0.00576549 -0.01260089
21.67714218 10.11873398 6.00915434
0.00035091 -0.00056978 -0.00019497
-0.04948259 -0.01406463 0.00174330
-3.15606057 0.63907998 -22.50531222
-0.00107163 0.00000106 -0.00101793
0.00184998 -0.00559937 0.02896932
-5.28936074 0.35064860 -24.62819071
-0.00066346 -0.00056922 -0.00053194
0.04200322 0.00742757 0.01080909
-12.81973386 9.55522142 10.65307542
0.00010595 0.00010122 -0.00018247
0.00341382 0.00263949 -0.00786285
-13.74346210 9.53355932 7.83222711
-0.00080636 -0.00012694 -0.00056144
0.00395354 -0.01080195 0.01918422
-13.64993326 4.21216769 -4.82147729
0.00065733 0.00003400 0.00048557
0.00649935 -0.04933455 -0.02676797
-15.09649557 6.60538699 -4.77266482
-0.00070182 -0.00009513 0.00094016
0.00306921 -0.00023974 0.00882518
-5.37913725 -16.00448197 20.99557214
0.00030109 0.00066372 -0.00034348
0.00224654 0.00007403 0.01056115
-2.98158230 -15.26814124 19.64566935
-0.00001167 0.00067055 0.00048717
0.00236514 0.00432794 0.00413582
-6.54032965 6.77057956 -6.59631206
0.00001726 -0.00001429 -0.00001805
0.00486846 0.01956166 0.00037880
-7.91422328 9.20213146 -5.62993035
-0.00136235 -0.00035690 -0.00091780
-0.00161844 0.00575576 -0.00238520
-21.02169099 30.90898963 0.08561755
-0.00019126 -0.00056648 0.00045587
0.01785159 -0.00716191 0.00712117
-18.10261378 30.36254250 0.63146716
-0.00071773 -0.00080849 -0.00089845
0.02717027 0.00071727 -0.01575244
8.89629491 3.02385009 6.87557146
-0.00060238 -0.00026646 0.00006671
0.03220494 0.01515760 0.02473696
9.73504084 5.38720548 8.47546243
-0.00017125 -0.00055651 0.00022900
-0.01155455 0.03779494 0.00668737
8.52378117 17.80498652 -12.30863249
0.00034350 -0.00000383 -0.00019076
-0.00348371 0.00050261 -0.00544504
8.58868871 15.21186683 -11.40195260
-0.00033365 0.00013702 -0.00050580
0.00414406 -0.01487731 0.00472413
12.85325774 5.76786974 0.00070768
0.00041964 0.00056753 0.00022354
0.03041187 -0.03238890 0.00295981
14.32375225 3.19980419 0.79979025
-0.00061423 -0.00060517 0.00093894
-0.01002467 -0.01272662 0.03315164
-4.62022727 11.79192686 -2.74286576
-0.00088011 0.00087053 0.00096937
-0.01798935 0.02030633 0.01242499
-5.29724392 10.12251190 -0.83591470
0.00014779 -0.00017760 -0.00084140
-0.01555203 0.01485918 0.01291281
7.77164644 13.03349645 4.73933038
0.00064500 -0.00178609 -0.00005253
0.01121863 -0.00845452 -0.00203207
10.24666588 11.26206555 4.55316570
0.00002775 -0.00042534 0.00006590
-0.01828703 -0.00161179 0.00299887
19.05069597 -10.92966139 -9.03762703
0.00133351 0.00081430 -0.00078307
-0.00715693 0.00535494 0.00304236
20.56568233 -12.79264405 -10.43473901
-0.00042077 0.00054844 0.00057747
0.02106773 -0.04480728 -0.00041084
19.07620739 -4.90281563 -1.74451920
0.00081275 -0.00030419 0.00049944
0.00122320 -0.00665217 -0.00897474
18.26778564 -7.35045206 -0.20401365
0.00001900 -0.00018468 0.00011275
-0.00133103 0.00451704 -0.00568722
14.84241196 9.07382461 9.29939637
-0.00097462 -0.00035409 -0.00020592
0.00897476 -0.01738617 0.00302102
16.62066650 7.86632320 11.29902908
0.00003241 0.00038664 -0.00013412
-0.00735842 -0.00401091 -0.01156624
2.82266632 -15.84127515 17.56822193
0.00052240 -0.00124137 -0.00039050
-0.00584884 -0.00760983 -0.00624044
3.25735953 -13.00763728 17.18783092
-0.00012441 0.00098918 -0.00052231
-0.00027686 0.01527137 0.00064519
-4.40860309 -4.32066426 -13.68814368
-0.00082361 0.00006031 -0.00005834
0.00432279 0.01213855 0.00180737
-2.07104724 -2.28058375 -13.36659999
-0.00001193 -0.00014054 0.00014584
-0.00759981 -0.00757805 -0.00368483
16.05695665 -7.30973822 -14.77043345
0.00030742 -0.00026033 0.00026360
0.00399843 -0.01459651 -0.01505447
17.24936741 -7.44715001 -11.96193030
0.00036435 0.00029275 0.00060977
-0.00534649 0.00465294 -0.00472706
9.19557351 -4.25617687 5.34862642
-0.00047075 0.00030656 0.00111434
0.02114395 -0.00590733 0.00809197
12.19544072 -4.33935684 5.87754569
-0.00060469 0.00116134 -0.00021017
0.02910426 0.00671716 -0.03000024
-20.96285693 -0.14206910 24.69038591
0.00016965 -0.00109417 0.00058276
-0.02966726 -0.01633865 -0.00384995
-20.11980301 2.67595972 25.22301730
0.00028731 -0.00014754 -0.00038756
-0.00190490 -0.01896005 0.00451322
24.64748820 -2.41075188 -6.99730899
0.00049505 0.00049494 0.00041710
0.01042819 -0.00675874 -0.00276293
24.04035650 -0.63531485 -9.31602125
-0.00024825 0.00012577 -0.00024741
0.00029247 0.00138147 0.02373873
12.38027620 -10.13521386 -9.64678004
0.00004830 0.00070288 0.00099641
0.01150675 0.00366060 0.01959603
12.50533659 -8.51289982 -12.05438375
0.00059451 0.00011737 -0.00008232
0.00991997 0.00765308 -0.00607900
-9.17619693 -9.20630789 18.35988228
0.00123021 -0.00047128 0.00040635
0.00878796 -0.01016914 -0.00991880
-11.43187766 -9.46776443 16.85939489
0.00031097 0.00071170 0.00043473
-0.05119526 0.00664282 0.00125510
8.51051135 0.23919430 -30.06321001
0.00076841 -0.00009585 0.00042928
-0.00181811 0.00772351 0.01327113
5.70186286 0.47278936 -29.21274439
-0.00019604 -0.00112970 -0.00018277
-0.02141126 0.00481247 -0.00714725
12.55406731 19.64320706 12.44628234
0.00026432 0.00075537 -0.00012527
-0.00131346 -0.01924728 0.00139908
13.36445474 17.53968131 10.65829257
-0.00086861 0.00067341 -0.00127745
0.00696918 -0.00241630 -0.01174163
27.83603145 7.71846197 -11.57624400
0.00048874 -0.00001926 -0.00022634
-0.01857250 -0.00317733 0.00550155
25.73959149 7.15615011 -9.36711315
-0.00023628 -0.00003275 -0.00036342
0.01289791 0.01076537 -0.00301629
-7.02831951 4.54400927 6.66092400
0.00025783 -0.00012225 -0.00010686
-0.00206989 -0.00286032 -0.00624002
-8.86578115 8.69697853 3.87969353
0.00020231 -0.00013657 0.00000105
-0.00682534 -0.00631236 -0.00356210
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07904050
0.31526533
420.07524925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3390126823 (a.u.)
total exchange computation time: 3.0772628784 s
-153.7981033364
-931.38959695
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3389007412 (a.u.)
total exchange computation time: 3.0770750046 s
-153.7996875142
Anderson extrapolation: theta=1.3712949792 (1.3712949792)
-931.38984473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3386620266 (a.u.)
total exchange computation time: 3.0765039921 s
-153.8024115073
Anderson extrapolation: theta=0.0610717555 (0.0610717555)
-931.38999795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3385779313 (a.u.)
total exchange computation time: 3.0755579472 s
-153.8030869902
Anderson extrapolation: theta=2.1620855836 (2.0000000000)
-931.39000544
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3383886917 (a.u.)
total exchange computation time: 3.0776879787 s
-153.8045516235
Anderson extrapolation: theta=0.3217671893 (0.3217671893)
-931.39001473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3383274068 (a.u.)
total exchange computation time: 3.0771000385 s
-153.8049827276
Anderson extrapolation: theta=1.3261784335 (1.3261784335)
-931.39001701
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3382672529 (a.u.)
total exchange computation time: 3.0769901276 s
-153.8053582282
Anderson extrapolation: theta=0.4017028999 (0.4017028999)
-931.39001915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3382656169 (a.u.)
total exchange computation time: 3.0767788887 s
-153.8053124762
Anderson extrapolation: theta=0.9547052849 (0.9547052849)
-931.39001982
29.631542 111.651707 -295.727646
545.280530 1080.775849 -416.484787
574.912072 1192.427557 -712.212433
1503.214528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1644348296
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3382814898 (a.u.)
total exchange computation time: 3.0761499405 s
678.31421257
-1082.58623215
89.85858874
-389.90637947
-174.73192840
77.61846260
551.60419304
0.00000000
-931.39002020
3.53651725 -31.20662785 -3.85427900
-0.00030290 0.00047722 -0.00002130
0.00820543 0.02153120 0.02976750
-11.20159059 2.15108507 -9.35940164
-0.00009411 -0.00026190 -0.00004780
0.02777924 0.01610789 -0.01564365
-36.93283705 2.00128021 3.99323298
0.00058105 0.00031214 0.00006600
-0.01364131 -0.01869773 0.01209754
-7.72091807 -3.64261477 2.90252452
-0.00005015 -0.00008306 -0.00027548
-0.01977513 -0.01460033 -0.00715477
2.37998197 -0.02043028 9.66841796
0.00021371 0.00009426 -0.00013077
-0.04377691 0.04417403 -0.00079031
-31.29105123 1.39892883 3.48990280
-0.00013841 -0.00006199 0.00002166
-0.04180304 0.01593948 0.00918117
16.51619429 13.18706883 -17.67786941
0.00030062 0.00011739 0.00013933
-0.01316548 0.02548898 -0.00342156
-3.33940766 4.87342766 4.02576084
-0.00024527 -0.00014514 -0.00054596
-0.01366087 -0.00244580 -0.04155958
4.83654343 17.34943278 -6.67733151
-0.00011278 -0.00008130 -0.00010963
0.01750556 0.02304233 0.02263913
8.30150091 7.47477609 -21.27851040
0.00012655 0.00041505 -0.00012815
0.02219647 -0.00403769 0.02128093
19.97789430 18.80617684 -5.32400052
0.00059695 0.00007765 0.00001978
0.01166222 0.05661310 -0.00390951
2.03620019 14.65557143 -21.40188418
-0.00015017 -0.00015175 0.00005082
-0.01463552 -0.01379799 0.00512854
10.55754773 -5.52276146 0.03746331
0.00008661 0.00003421 -0.00009837
-0.01931428 -0.00912948 -0.00521076
-16.44970634 -5.58260094 4.77594717
0.00015362 -0.00011062 -0.00015592
-0.03952282 -0.00387184 -0.00296697
-14.19584358 -1.52239097 20.76253512
0.00003624 0.00011180 0.00005944
-0.02089964 0.04272783 -0.03292248
0.64646570 3.64004887 -4.82108791
-0.00050279 0.00005017 -0.00008798
0.02015229 0.03210354 -0.02461665
20.80656817 -9.56637721 -4.29667721
-0.00044949 -0.00003106 -0.00026788
-0.04454496 -0.02284405 0.02038652
2.74984328 -10.85972250 6.74505276
-0.00016745 0.00000633 -0.00005252
0.04063583 -0.00385440 0.00557433
-1.87379704 -1.80958480 -19.36426293
-0.00014111 0.00008132 0.00026114
-0.00543751 -0.01556387 -0.02671606
-0.60530721 5.27016239 -11.30199754
-0.00030837 0.00030997 -0.00007311
-0.01539610 -0.01120088 0.01806994
-4.87939230 15.49251687 13.74665102
-0.00004035 -0.00002517 0.00054780
0.01524506 0.01901823 0.01726048
-4.97894060 3.15468463 -8.07314310
-0.00000246 0.00027513 -0.00024566
0.00135381 -0.00365864 0.03144001
-8.55431342 0.04865061 -4.32285475
0.00019296 -0.00012502 0.00036097
-0.00341452 -0.02099262 0.00139995
3.02986954 27.74197988 5.64560309
0.00020211 -0.00040443 -0.00001810
-0.00762162 0.01035229 -0.01518565
8.62631253 -9.61612415 -2.09500618
-0.00012339 -0.00003738 0.00003099
0.03853445 0.01993986 0.00739948
-6.24906512 1.35756853 10.02847857
0.00005103 -0.00013318 0.00025670
0.02224736 -0.01467228 -0.01890036
19.79301797 9.54083605 5.90541156
0.00026717 -0.00000282 -0.00031336
0.04770920 0.02256269 0.01843978
-3.38219706 0.57192447 -24.26850906
0.00012784 -0.00012953 0.00017127
-0.05350131 -0.00488738 -0.05451793
-13.65037205 8.47877637 9.42708440
-0.00007411 0.00011295 -0.00013843
-0.00834030 0.00901198 -0.01848527
-13.69472647 5.70394662 -3.94589218
0.00032348 -0.00021010 -0.00015420
-0.00875028 0.05089520 0.01922383
-3.77950484 -15.06524377 21.28686514
-0.00000048 -0.00002459 0.00012743
-0.00489555 -0.00561069 -0.01279181
-6.37642107 8.62753286 -6.42717435
-0.00013112 0.00015050 0.00028729
0.00078306 -0.02992047 -0.00424247
-19.73118590 30.43705242 1.32538810
0.00009536 0.00036335 0.00018027
-0.04564204 0.00838583 0.00873613
10.26466567 3.73776410 8.10986336
-0.00016656 0.00035518 -0.00009931
-0.01965688 -0.05828764 -0.03453594
7.36776956 16.51482087 -11.70049636
-0.00028675 -0.00004106 0.00021760
-0.00727794 0.01565809 0.00702074
14.07219749 4.38461829 -0.49436357
0.00009819 -0.00034696 0.00031195
-0.02001826 0.04515918 -0.03726381
-5.84595509 11.88354625 -1.28992788
-0.00024251 -0.00001303 -0.00013210
0.03226523 -0.02486954 -0.01928671
8.39761810 11.28852698 4.92166770
0.00014429 -0.00043823 -0.00000916
0.00589250 0.00468954 0.00537513
19.88951734 -11.18780510 -10.62889055
0.00005415 -0.00007650 -0.00021547
-0.01179081 0.03980079 -0.01137893
19.26325131 -5.77020455 -0.15688417
0.00011302 0.00028941 0.00012238
-0.00398371 -0.01213845 0.01574509
15.87595476 7.55732427 9.63171561
-0.00018838 -0.00012115 0.00010985
-0.00896300 0.02590645 0.00960793
3.77519942 -14.62808843 16.58683138
-0.00021175 -0.00008478 0.00004909
0.00781836 0.00089851 -0.00110186
-3.76209494 -2.53931819 -14.04943867
-0.00027600 0.00014945 -0.00043296
0.01931318 0.02122654 0.00288801
16.28194060 -6.42625458 -13.17411238
-0.00000942 0.00023473 0.00008866
-0.00876395 -0.01864575 0.00865682
10.58787299 -4.50824662 6.57685971
-0.00001555 -0.00024776 0.00032331
-0.04818537 -0.00099613 0.02313058
-19.60612523 0.88982300 25.19267601
-0.00021308 0.00032744 0.00024897
0.02803462 0.02962263 0.00569853
24.00616659 -0.74454696 -7.40091177
-0.00015946 -0.00001272 0.00009051
-0.00737399 0.00987220 -0.03510462
11.52850263 -9.73462150 -11.17293364
-0.00001966 -0.00003034 0.00010827
-0.01397221 -0.00976368 -0.00478884
-9.76019703 -9.92966889 16.76324130
-0.00012489 0.00010258 0.00027494
0.04966265 0.00179500 0.00597025
7.33097838 0.03407898 -28.62842721
-0.00010227 -0.00038158 -0.00012650
0.02597154 -0.00664146 0.00187254
12.59419451 17.78383932 12.27758663
0.00000430 -0.00000382 0.00018186
-0.00081937 0.03386215 0.00772782
25.98513805 7.53133200 -11.16231839
0.00009772 0.00026527 0.00003082
0.01166862 0.00051076 -0.00013510
4.00408487 -29.71841052 -4.86699636
0.00090073 -0.00035240 0.00028349
0.00025616 -0.00495074 -0.00530469
3.29216797 -30.42483806 -2.08044966
-0.00024709 0.00045783 -0.00038874
-0.00094580 -0.01824268 -0.02403882
-9.52474711 2.94442306 -8.88262314
0.00018183 -0.00072051 -0.00020072
-0.03566392 -0.01630835 -0.00765917
-11.64331147 2.78468549 -11.13414376
-0.00010993 0.00061237 -0.00031468
0.00870578 -0.00707200 0.02053109
-36.77724531 3.48347428 2.98169537
-0.00021445 -0.00018318 0.00012978
-0.00572851 0.01482802 -0.00586770
-38.79213111 1.53773170 4.02687393
-0.00044223 -0.00011983 0.00058347
0.02540087 0.00520880 -0.00570343
-9.16898763 -4.51520102 2.00960785
0.00015582 -0.00147708 0.00068465
0.01182475 0.01155903 0.00247131
-6.34655707 -4.80044871 2.59972288
-0.00037234 -0.00037355 -0.00006343
0.00205154 -0.00022127 0.00361274
3.37232539 -1.20485813 8.87922048
-0.00024807 0.00032218 -0.00071262
0.03259248 -0.03728982 -0.02440988
1.57624447 0.92248472 8.24538222
-0.00028587 -0.00059821 0.00030243
0.01200846 -0.00920816 0.02338437
-30.80009801 -0.29853687 3.72970282
0.00037416 0.00059674 -0.00067325
0.01907724 -0.03054190 -0.00306821
-33.17196307 1.21452835 3.69310352
0.00024279 -0.00064944 0.00103868
0.02667566 0.01066045 -0.00535888
15.33356018 12.10757416 -18.64770167
-0.00127913 -0.00022064 -0.00048188
0.01598798 0.00233074 0.01427514
18.02807562 12.24342002 -17.28063939
0.00041654 -0.00076835 -0.00015477
-0.00113684 -0.01522110 -0.00618985
-2.54506164 6.24099689 4.88154227
0.00103011 -0.00050238 -0.00016266
0.00711088 0.01570779 0.01533416
-3.67255462 5.73893434 2.35621778
0.00046427 -0.00019423 -0.00071648
0.00624568 -0.01977115 0.02597642
5.95689753 17.24360923 -8.17369243
0.00095221 0.00118142 -0.00121660
-0.00535624 0.00086211 0.00581048
5.62142914 18.63372261 -5.47627044
0.00006029 -0.00065296 0.00024844
-0.00781718 -0.02949014 -0.03138701
9.03431943 6.42299213 -22.58529236
-0.00028345 0.00001682 -0.00046057
-0.00835338 0.00182898 -0.00945091
9.69023716 7.64045439 -19.97645016
-0.00056616 0.00106767 -0.00009432
-0.02105560 0.00430341 -0.01684271
19.62702266 20.45602604 -4.35377569
-0.00048401 0.00042137 -0.00006742
-0.00195371 -0.03548346 -0.00503613
21.21295946 19.66212663 -6.49529710
0.00069054 -0.00065883 0.00020393
-0.01369512 -0.01905393 0.01278013
1.62838520 13.06930645 -20.57219706
-0.00027370 0.00064308 0.00064361
0.01830323 -0.00184043 0.00522755
0.29264693 15.03735681 -21.86546261
0.00044339 -0.00041618 0.00033893
-0.00410423 0.02055138 -0.00679986
9.73441912 -7.15563997 -0.51215183
0.00026244 0.00073894 0.00003991
0.01239378 0.02168438 0.00587073
9.25816921 -4.22159285 -0.35385671
0.00057008 -0.00007561 0.00015088
0.01680042 -0.00860357 0.00447596
-17.12423674 -6.52587823 6.20850247
-0.00003753 0.00000589 0.00026456
0.00965872 0.00549786 0.00202289
-18.07758963 -5.30890003 3.85118279
0.00003472 0.00009418 -0.00055795
0.02919896 -0.00363286 0.00208651
-14.23886569 -0.87834072 18.93709355
0.00020122 0.00022491 -0.00088374
0.00263917 -0.01477331 0.03015222
-15.17419173 -0.16501574 21.60087409
-0.00030458 -0.00001519 -0.00002650
0.01182650 -0.02053249 -0.00092105
-0.13948759 2.98527861 -3.39175177
-0.00025210 -0.00037967 0.00023458
-0.01881941 -0.02341956 0.02319086
1.18150217 2.31179813 -5.95419562
0.00064370 -0.00029482 0.00036433
-0.00425635 -0.01006798 0.00832523
20.18557844 -9.02468642 -5.86120618
0.00085838 0.00046492 -0.00056128
-0.01301144 0.01212259 -0.02445593
22.52924890 -9.22531681 -4.31464752
-0.00080769 0.00074847 -0.00091421
0.04824609 0.00714838 0.00061771
4.64902486 -11.21446329 6.48695927
0.00080844 -0.00019536 -0.00069950
-0.05175076 0.00288933 0.00621377
2.40169480 -11.26972469 8.52026394
-0.00040543 0.00055848 0.00109652
0.01064813 0.00119301 -0.00966791
-2.63282560 -3.27781326 -20.30356053
-0.00025309 -0.00156456 0.00007810
0.01538484 0.01502556 0.01108698
-2.92984472 -1.59849971 -17.92594720
-0.00055478 -0.00083629 -0.00029890
-0.00587790 0.00203800 0.01513724
1.19074210 5.69571696 -11.37181873
0.00140127 -0.00001534 0.00077310
-0.00341961 -0.00314582 0.00744349
-1.05369726 4.41962948 -9.67727368
0.00023507 0.00089704 -0.00056267
0.00886190 0.01459802 -0.02462625
-4.04803961 16.94384676 14.66128814
0.00089110 0.00141581 0.00031552
-0.00952648 -0.02137295 -0.00736319
-6.60071994 16.08362980 13.51606183
-0.00000667 -0.00001460 -0.00063422
-0.00203759 0.00025297 0.00468333
-5.26417155 2.08945025 -6.58874787
0.00050622 0.00000607 -0.00023944
0.00279694 0.00987550 -0.01036340
-5.30598721 2.04905370 -9.53199226
0.00050088 -0.00035181 -0.00074089
-0.00384913 0.00733118 -0.00349620
-9.26644765 -1.67213874 -4.40275820
0.00037353 0.00049888 0.00024529
0.00891748 0.01843688 0.00304406
-9.51845158 0.88730459 -3.01912856
0.00007305 -0.00158805 -0.00031734
0.00019642 0.00337845 0.00065138
2.35630055 29.07626607 4.53974159
-0.00051258 0.00077527 -0.00033572
0.01184045 -0.01068950 -0.00185276
2.14723476 28.10672360 7.16982081
-0.00068846 -0.00053628 -0.00091589
-0.00108789 -0.00282085 0.01468746
7.02179362 -9.70642897 -2.80784255
-0.00111862 0.00102453 0.00112945
-0.04252183 -0.00836090 -0.00998928
8.99422323 -11.01569892 -1.03134934
-0.00010279 -0.00042889 -0.00073520
-0.00700247 -0.02052864 0.00700393
-5.27114514 -0.18490236 9.43017060
0.00135793 -0.00025591 -0.00115483
-0.01184811 0.00718866 -0.00327616
-7.99875600 0.98869439 9.93459195
0.00001041 0.00098440 0.00000279
-0.01714324 -0.00716189 0.00043999
19.04538558 9.72002005 7.62042235
-0.00081858 0.00020243 -0.00013689
0.01414522 -0.00624560 -0.01621081
21.68088954 10.10975634 6.00628318
0.00014997 -0.00062568 -0.00018656
-0.04888004 -0.01329776 0.00237403
-3.17207830 0.63892432 -22.51969339
-0.00106061 -0.00002080 -0.00087530
0.00354159 -0.00510324 0.04084706
-5.29802555 0.34233796 -24.63583860
-0.00048437 -0.00053726 -0.00048664
0.04566480 0.00821778 0.01136829
-12.81803996 9.55682060 10.65009740
0.00011961 0.00011230 -0.00021554
0.00327271 0.00278672 -0.00832330
-13.75543636 9.53132418 7.82439331
-0.00078890 -0.00017179 -0.00048033
0.00459237 -0.01115215 0.02051999
-13.63987410 4.21116592 -4.81501396
0.00068325 -0.00017455 0.00037112
0.00618714 -0.05274933 -0.02925491
-15.10692883 6.60395265 -4.75829195
-0.00068542 -0.00009971 0.00097654
0.00495805 -0.00200312 0.00898019
-5.37455206 -15.99452392 20.99074350
0.00030475 0.00066008 -0.00030082
-0.00045373 -0.00185547 0.01032305
-2.98168490 -15.25795032 19.65310358
0.00000105 0.00068742 0.00049843
0.00386328 0.00392607 0.00137870
-6.53992160 6.77096468 -6.59657128
0.00003768 0.00006715 -0.00001663
0.00512746 0.02030196 0.00031990
-7.93470806 9.19695435 -5.64377047
-0.00136399 -0.00033445 -0.00092958
0.00081432 0.00523402 -0.00337944
-21.02401279 30.90027295 0.09267384
-0.00012149 -0.00059472 0.00048272
0.01629719 -0.00666150 0.00602090
-18.11254708 30.35043717 0.61750777
-0.00060284 -0.00080659 -0.00096408
0.02906867 0.00021385 -0.01637667
8.88824610 3.02031771 6.87733010
-0.00046893 -0.00020264 0.00016838
0.03312096 0.01608142 0.02503074
9.73211802 5.38001595 8.47910234
-0.00022272 -0.00038978 0.00025859
-0.01364292 0.04382158 0.00779714
8.52882693 17.80494445 -12.31166075
0.00032370 -0.00000674 -0.00021021
-0.00620674 -0.00192804 -0.00407363
8.58381087 15.21346631 -11.40939488
-0.00031405 0.00007212 -0.00048524
0.00545208 -0.01689269 0.00534278
12.86048423 5.77539015 0.00415152
0.00054565 0.00043171 0.00023476
0.03126985 -0.03409432 0.00253136
14.31423158 3.19033671 0.81489026
-0.00065688 -0.00065001 0.00106674
-0.01085112 -0.00922229 0.02940467
-4.63398016 11.80560699 -2.72794452
-0.00094396 0.00095340 0.00100667
-0.01326742 0.02026266 0.00583535
-5.29550367 10.12030319 -0.84814008
0.00008343 -0.00011700 -0.00078751
-0.01595107 0.01480726 0.01346850
7.78166524 13.00644604 4.73848017
0.00068323 -0.00180091 -0.00006280
0.00749341 0.00119775 -0.00299526
10.24652179 11.25563605 4.55424608
-0.00004478 -0.00043276 0.00007791
-0.01721618 -0.00202115 0.00288241
19.07047936 -10.91728285 -9.04927992
0.00129648 0.00083996 -0.00075696
-0.01097333 0.00720774 0.00974148
20.56001634 -12.78579048 -10.42608951
-0.00032974 0.00035421 0.00057632
0.02349295 -0.05027211 -0.00015177
19.08843616 -4.90758234 -1.73730268
0.00081647 -0.00032581 0.00045295
0.00059455 -0.00393274 -0.01377954
18.26802979 -7.35308377 -0.20249674
0.00001664 -0.00016096 0.00008998
0.00017580 0.00709017 -0.00545641
14.82806767 9.06798049 9.29640016
-0.00093554 -0.00042779 -0.00019235
0.01015742 -0.01868955 0.00362098
16.62092714 7.87199990 11.29666279
0.00000246 0.00037052 -0.00018028
-0.00730247 -0.00388017 -0.01102769
2.83032303 -15.86012884 17.56217326
0.00049643 -0.00127003 -0.00041510
-0.00686301 -0.00642134 -0.00580333
3.25548488 -12.99233162 17.18001603
-0.00012400 0.00103716 -0.00052151
0.00048011 0.00821653 -0.00025151
-4.42082485 -4.31938763 -13.68896334
-0.00080567 0.00011093 -0.00005117
0.00445905 0.01263990 0.00169949
-2.07145903 -2.28292400 -13.36452529
-0.00004838 -0.00017231 0.00012828
-0.01024374 -0.00797440 -0.00491294
16.06169048 -7.31409040 -14.76694073
0.00032396 -0.00031945 0.00020227
0.00409793 -0.01434362 -0.01496866
17.25466876 -7.44261611 -11.95292855
0.00033907 0.00031553 0.00058684
-0.00702494 0.00649784 -0.00649846
9.18916015 -4.25175943 5.36558952
-0.00038627 0.00028256 0.00114577
0.02020839 -0.00584480 0.00729320
12.18726219 -4.32173089 5.87347377
-0.00048352 0.00118978 -0.00033338
0.03021228 0.00720264 -0.03031029
-20.96122135 -0.15898228 24.69900928
0.00005435 -0.00115433 0.00056967
-0.02677167 -0.01311135 -0.00255516
-20.11555167 2.67316563 25.21734223
0.00027526 -0.00021752 -0.00036919
-0.00399609 -0.01529457 0.00447587
24.65523344 -2.40353488 -6.99113709
0.00053845 0.00046498 0.00040555
0.01081863 -0.00790743 -0.00289165
24.03664176 -0.63338603 -9.31900495
-0.00024670 0.00013051 -0.00014697
0.00046558 0.00094296 0.02542482
12.38135334 -10.12455849 -9.63123336
0.00008969 0.00072015 0.00106716
0.00875407 0.00479481 0.01503575
12.51455817 -8.51090469 -12.05580475
0.00062985 0.00014230 -0.00010266
0.00738316 0.00454996 -0.00388029
-9.15747452 -9.21368865 18.36567352
0.00126304 -0.00051432 0.00036177
0.00728590 -0.01090085 -0.01190038
-11.42878194 -9.45688540 16.86595430
0.00009920 0.00074076 0.00044159
-0.05246759 0.00758540 0.00210481
8.52198172 0.23799317 -30.05636407
0.00075857 -0.00006390 0.00048354
-0.00299417 0.00791735 0.01328796
5.69826610 0.45599128 -29.21570503
-0.00028232 -0.00110985 -0.00021293
-0.02082020 0.00490668 -0.00761193
12.55799190 19.65394780 12.44444618
0.00025881 0.00066814 -0.00011934
-0.00138487 -0.02345366 0.00150291
13.35163909 17.54970834 10.63877102
-0.00084620 0.00066439 -0.00131249
0.00400295 -0.00199827 -0.00541238
27.84279342 7.71807576 -11.57947047
0.00040972 -0.00003247 -0.00020277
-0.02010546 -0.00328867 0.00603610
25.73644245 7.15598879 -9.37265684
-0.00018299 0.00001087 -0.00037120
0.01318894 0.01058499 -0.00079223
-7.02445764 4.54216790 6.65930430
0.00025711 -0.00012325 -0.00010909
-0.00192415 -0.00274574 -0.00618907
-8.86275843 8.69491892 3.87970312
0.00020073 -0.00013799 0.00000023
-0.00677034 -0.00587591 -0.00356321
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07942112
0.31059908
413.85770120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3304116148 (a.u.)
total exchange computation time: 3.0840921402 s
-153.7658823918
-931.38495776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3303940424 (a.u.)
total exchange computation time: 3.0844571590 s
-153.7671171372
Anderson extrapolation: theta=1.3773345441 (1.3773345441)
-931.38522059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3303357046 (a.u.)
total exchange computation time: 3.0836589336 s
-153.7691755423
Anderson extrapolation: theta=0.0637340870 (0.0637340870)
-931.38538348
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3303020393 (a.u.)
total exchange computation time: 3.0873839855 s
-153.7696711450
Anderson extrapolation: theta=2.1977271210 (2.0000000000)
-931.38539162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3302276550 (a.u.)
total exchange computation time: 3.0846831799 s
-153.7707261674
Anderson extrapolation: theta=0.3372718884 (0.3372718884)
-931.38540154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3302079024 (a.u.)
total exchange computation time: 3.0847349167 s
-153.7710214239
Anderson extrapolation: theta=1.2159547378 (1.2159547378)
-931.38540388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3302001304 (a.u.)
total exchange computation time: 3.0861539841 s
-153.7712096292
Anderson extrapolation: theta=0.4235779145 (0.4235779145)
-931.38540576
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3302122981 (a.u.)
total exchange computation time: 3.0855789185 s
-153.7711269260
Anderson extrapolation: theta=0.9017785846 (0.9017785846)
-931.38540632
29.676764 111.549766 -295.810388
545.255259 1080.794076 -416.506733
574.932022 1192.343842 -712.317122
1503.205359
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1637425635
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3302331942 (a.u.)
total exchange computation time: 3.0844640732 s
678.20689834
-1082.34843691
89.86704892
-390.06707962
-174.71360412
77.48815764
551.60419304
0.00000000
-931.38540659
3.53200545 -31.19938645 -3.85448375
-0.00029875 0.00048744 -0.00000591
0.00791734 0.01821456 0.03011358
-11.20289513 2.14721866 -9.36017896
-0.00008000 -0.00025343 -0.00005641
0.02708848 0.01682811 -0.01784607
-36.92417396 2.00589021 3.99426968
0.00057251 0.00030127 0.00007292
-0.01955676 -0.02356494 0.01480246
-7.72174657 -3.64391694 2.89836469
-0.00006047 -0.00009076 -0.00027914
-0.02037154 -0.01533652 -0.00707906
2.38301881 -0.01884592 9.66645340
0.00019154 0.00011655 -0.00013059
-0.04246692 0.04247052 0.00147420
-31.29328864 1.39806043 3.49026309
-0.00015981 -0.00005285 0.00002639
-0.04139439 0.01961962 0.00921494
16.52065281 13.18892805 -17.67579266
0.00029310 0.00012888 0.00013662
-0.01607004 0.01917288 -0.00711435
-3.34313942 4.87124112 4.01741106
-0.00025170 -0.00014563 -0.00056673
-0.01134929 0.00056020 -0.03919731
4.83491920 17.34830214 -6.67888862
-0.00010238 -0.00006961 -0.00009993
0.02293731 0.02243070 0.01506597
8.30348482 7.48098629 -21.28035058
0.00013744 0.00041277 -0.00011809
0.02012893 -0.00484405 0.01784448
19.98689357 18.80756002 -5.32371895
0.00060226 0.00010662 0.00001831
0.00898595 0.05603628 -0.00179769
2.03389124 14.65324202 -21.40110205
-0.00015654 -0.00015845 0.00005351
-0.01015554 -0.01225644 0.00532368
10.55877245 -5.52228348 0.03596762
0.00007764 0.00002985 -0.00010061
-0.01557332 -0.00783279 -0.00347784
-16.44755444 -5.58427511 4.77359699
0.00013284 -0.00011276 -0.00015722
-0.04130336 -0.00446455 -0.00208801
-14.19538064 -1.52054912 20.76329976
0.00002555 0.00013395 0.00004156
-0.02065502 0.04341046 -0.03661344
0.63900154 3.64092518 -4.82250249
-0.00049264 0.00006586 -0.00010019
0.01933198 0.02894039 -0.02287071
20.79965405 -9.56693120 -4.30061671
-0.00047223 -0.00004269 -0.00025771
-0.04391138 -0.02237064 0.01912551
2.74748825 -10.85964249 6.74428652
-0.00014589 0.00000387 -0.00004839
0.04322890 -0.00570807 0.01046720
-1.87593473 -1.80842508 -19.36044887
-0.00014434 0.00007165 0.00024611
-0.00709598 -0.02203381 -0.03173822
-0.60999209 5.27476872 -11.30302456
-0.00031311 0.00030539 -0.00006490
-0.00306211 -0.00660484 0.01386456
-4.87993878 15.49221275 13.75493466
-0.00003180 -0.00001409 0.00055727
0.01801597 0.02405368 0.01955986
-4.97897223 3.15879746 -8.07670666
-0.00000193 0.00027257 -0.00023015
0.00069847 -0.00627764 0.02885149
-8.55143219 0.04669437 -4.31743485
0.00019257 -0.00013587 0.00036037
0.00190934 -0.02119920 -0.00373279
3.03287185 27.73595343 5.64527299
0.00019768 -0.00039757 -0.00002773
-0.00963361 0.01628789 -0.02223886
8.62461029 -9.61660799 -2.09451282
-0.00010480 -0.00002700 0.00003402
0.03377896 0.02045450 0.00438015
-6.24821381 1.35551426 10.03225616
0.00006367 -0.00014142 0.00024655
0.02690367 -0.01736597 -0.02058195
19.79720955 9.54088073 5.90078223
0.00029078 0.00000867 -0.00030319
0.04410956 0.02212583 0.02112850
-3.38048584 0.56996261 -24.26615032
0.00009927 -0.00013231 0.00014034
-0.05760833 -0.00592640 -0.06575276
-13.65151590 8.48050544 9.42493666
-0.00007852 0.00011755 -0.00014799
-0.00879500 0.00887004 -0.01870609
-13.68990798 5.70099145 -3.94813099
0.00031859 -0.00018322 -0.00014406
-0.01028253 0.05364710 0.02021231
-3.77953093 -15.06563427 21.28872732
-0.00000264 -0.00002684 0.00012153
-0.00348869 -0.00315361 -0.01015296
-6.37838478 8.62967494 -6.42288133
-0.00013142 0.00013521 0.00028541
-0.00198149 -0.02954385 -0.00309028
-19.72993149 30.44253499 1.32812588
0.00007231 0.00036765 0.00018514
-0.04400552 0.00835953 0.01020910
10.26209144 3.74286695 8.10824042
-0.00017632 0.00032395 -0.00011724
-0.01830030 -0.06313243 -0.03516058
7.36344030 16.51426534 -11.69720521
-0.00029004 -0.00003199 0.00022081
-0.00552380 0.01962230 0.00544344
14.07359306 4.37958804 -0.48982812
0.00008803 -0.00032451 0.00029400
-0.01947089 0.04214314 -0.03253890
-5.84946833 11.88325486 -1.29198382
-0.00022726 -0.00002570 -0.00014032
0.02705070 -0.02438862 -0.01266630
8.39980518 11.28197163 4.92155111
0.00014796 -0.00043838 -0.00000605
0.00839161 -0.00527544 0.00669554
19.89028407 -11.18879905 -10.63216647
0.00004864 -0.00005566 -0.00022305
-0.00964552 0.04121687 -0.01809601
19.26493121 -5.76591029 -0.15498773
0.00011069 0.00028190 0.00013161
-0.00508571 -0.01704365 0.02016258
15.87309453 7.55560694 9.63340044
-0.00019327 -0.00010766 0.00011443
-0.01006134 0.02655057 0.00818355
3.77205330 -14.62935665 16.58756348
-0.00020791 -0.00008318 0.00004886
0.00712461 0.00532149 0.00021207
-3.76616043 -2.53699450 -14.05592198
-0.00026553 0.00016044 -0.00043111
0.02140531 0.02150113 0.00431708
16.28176543 -6.42280553 -13.17274904
-0.00001356 0.00022460 0.00009335
-0.00730050 -0.02074017 0.00955984
10.58745382 -4.51196689 6.58179856
-0.00003975 -0.00024839 0.00033534
-0.04592264 -0.00145038 0.02365367
-19.60921334 0.89484887 25.19643259
-0.00019903 0.00034054 0.00025157
0.02663004 0.02129751 0.00438908
24.00374621 -0.74469964 -7.39968956
-0.00016331 -0.00000736 0.00007220
-0.00759201 0.01095004 -0.03607431
11.52815376 -9.73511425 -11.17132813
-0.00002541 -0.00003482 0.00010650
-0.00837570 -0.00766536 -0.00209099
-9.76187884 -9.92812320 16.76738839
-0.00009929 0.00010354 0.00027820
0.04989066 0.00192210 0.00670754
7.32954453 0.02832960 -28.63031751
-0.00008887 -0.00038498 -0.00012545
0.02612763 -0.00657450 0.00223090
12.59425590 17.78391267 12.28034440
0.00000462 0.00001437 0.00018414
0.00204636 0.03686863 0.00111536
25.98664889 7.53531297 -11.16185657
0.00010398 0.00026559 0.00003014
0.01265857 0.00074122 -0.00252657
4.01760364 -29.72384819 -4.86290656
0.00090294 -0.00036693 0.00025748
0.00082422 -0.00216234 -0.00742682
3.28843257 -30.41852969 -2.08701741
-0.00025170 0.00038414 -0.00048378
-0.00131099 -0.01782596 -0.02248099
-9.52311246 2.93311569 -8.88586859
0.00003709 -0.00078633 -0.00023112
-0.03518951 -0.01591143 -0.00722223
-11.64469366 2.79365426 -11.13823476
-0.00007381 0.00058094 -0.00022714
0.00897598 -0.00831025 0.02231705
-36.78063753 3.48118093 2.98346232
-0.00023659 -0.00011577 0.00010125
-0.00511047 0.01817266 -0.00810190
-38.79798617 1.53609381 4.03545121
-0.00032861 -0.00009620 0.00055936
0.03021576 0.00635793 -0.00609967
-9.16628798 -4.53700304 2.01995328
0.00020279 -0.00142750 0.00069407
0.01116717 0.01271237 0.00214378
-6.35207934 -4.80605870 2.59888216
-0.00036153 -0.00037472 -0.00004808
0.00324226 -0.00035340 0.00390063
3.36960311 -1.20116811 8.86778313
-0.00011438 0.00016893 -0.00081211
0.03284952 -0.03772840 -0.02428772
1.57232434 0.91322946 8.25063520
-0.00024010 -0.00063124 0.00039326
0.01039842 -0.00696250 0.02107911
-30.79390103 -0.29052163 3.71950999
0.00045511 0.00046358 -0.00068499
0.02054896 -0.03464183 -0.00267884
-33.16750385 1.20511348 3.70851948
0.00034789 -0.00060513 0.00101614
0.02477504 0.01102940 -0.00567314
15.31486319 12.10433601 -18.65449247
-0.00120185 -0.00020192 -0.00041401
0.02183951 0.00683239 0.01894843
18.03428884 12.23142830 -17.28315066
0.00040579 -0.00082707 -0.00018181
-0.00412468 -0.01352005 -0.00704506
-2.52939209 6.23394249 4.87957220
0.00105423 -0.00044606 -0.00010552
0.00469643 0.01186237 0.01263672
-3.66539920 5.73541505 2.34626663
0.00048920 -0.00027433 -0.00061003
0.00596010 -0.01943648 0.02613191
5.97101654 17.26135688 -8.19176330
0.00091932 0.00118417 -0.00117936
-0.01074463 0.00048612 0.01241541
5.62209398 18.62302452 -5.47350564
0.00002868 -0.00077164 0.00012195
-0.00765794 -0.02860611 -0.03053229
9.02981178 6.42330043 -22.59249049
-0.00031771 0.00002689 -0.00049484
-0.00842083 0.00310094 -0.00732528
9.68109954 7.65660136 -19.97838102
-0.00064783 0.00108378 -0.00016122
-0.01892226 0.00357861 -0.01590690
19.61970264 20.46125922 -4.35494136
-0.00048937 0.00027364 -0.00009044
-0.00066813 -0.03682992 -0.00623144
21.22289784 19.65166030 -6.49184653
0.00063725 -0.00073310 0.00025425
-0.01238999 -0.01730210 0.01185126
1.62484058 13.07889620 -20.56238271
-0.00019920 0.00062983 0.00066780
0.01816323 -0.00464199 0.00661261
0.29917204 15.03174391 -21.86058708
0.00041805 -0.00032951 0.00030819
-0.00830068 0.02187041 -0.00824783
9.73873549 -7.14389133 -0.51137331
0.00030980 0.00081953 0.00006176
0.01079162 0.01776510 0.00482793
9.26723517 -4.22299064 -0.35145631
0.00063431 -0.00010605 0.00016796
0.01464376 -0.00629821 0.00388558
-17.12450373 -6.52562146 6.21253293
0.00000301 0.00003066 0.00026838
0.01018497 0.00662943 -0.00015389
-18.07617404 -5.30759867 3.84287742
0.00015662 0.00007829 -0.00054681
0.03047052 -0.00414553 0.00336740
-14.23576648 -0.87541971 18.92476140
0.00021119 0.00016265 -0.00075272
0.00223820 -0.01570503 0.03398214
-15.17839796 -0.16587270 21.60044840
-0.00025599 -0.00009871 -0.00003097
0.01195452 -0.02035402 -0.00126769
-0.14384583 2.97886598 -3.38752245
-0.00032539 -0.00047225 0.00032342
-0.01705265 -0.02189890 0.02029654
1.19102724 2.30706728 -5.94847558
0.00062475 -0.00033259 0.00040065
-0.00501794 -0.00842046 0.00945270
20.19805547 -9.01734110 -5.87037472
0.00080199 0.00051385 -0.00066095
-0.01459480 0.01182831 -0.02433410
22.51861198 -9.21387065 -4.32834172
-0.00060858 0.00077738 -0.00090863
0.04921866 0.00700186 0.00211152
4.65956570 -11.21730518 6.47665726
0.00058770 -0.00018215 -0.00067089
-0.05630230 0.00357895 0.00778873
2.39593960 -11.26131091 8.53641553
-0.00035803 0.00056555 0.00104352
0.01255655 0.00226551 -0.01627519
-2.63615048 -3.30082116 -20.30204935
-0.00018395 -0.00149179 0.00012864
0.01846088 0.02059428 0.01365223
-2.93834653 -1.61098164 -17.92996679
-0.00058102 -0.00082634 -0.00023253
-0.00696510 0.00283308 0.01735015
1.21165640 5.69539049 -11.35999421
0.00136705 -0.00003148 0.00080121
-0.01333388 -0.00475539 0.00631861
-1.04989966 4.43353236 -9.68646833
0.00026681 0.00095083 -0.00065336
0.00667617 0.01173340 -0.01976850
-4.03496498 16.96442904 14.66579525
0.00084453 0.00131783 0.00027966
-0.01327211 -0.02659001 -0.01018679
-6.60088250 16.08341855 13.50669208
-0.00001290 -0.00001289 -0.00061397
-0.00101180 0.00058363 0.00522694
-5.25649260 2.08984389 -6.59265702
0.00051769 0.00004716 -0.00028232
0.00281898 0.01024125 -0.01062747
-5.29859191 2.04400124 -9.54321273
0.00048591 -0.00031683 -0.00074905
-0.00348104 0.00979141 -0.00049823
-9.26057137 -1.66409054 -4.39898561
0.00040757 0.00056408 0.00025561
0.00774371 0.01347915 0.00200853
-9.51734980 0.86358738 -3.02386869
0.00006538 -0.00156398 -0.00030195
-0.00395115 0.00840127 0.00688348
2.34897470 29.08756762 4.53464900
-0.00045693 0.00071929 -0.00033489
0.01539824 -0.01671580 0.00225916
2.13687451 28.09859298 7.15653259
-0.00069581 -0.00054766 -0.00084983
-0.00251175 -0.00275066 0.01764774
7.00371125 -9.69131722 -2.79120684
-0.00128290 0.00099084 0.00109311
-0.03789465 -0.00813233 -0.00780007
8.99246687 -11.02276128 -1.04216274
-0.00013117 -0.00051405 -0.00070537
-0.00689264 -0.02115776 0.00759705
-5.25113919 -0.18852072 9.41274771
0.00130145 -0.00022039 -0.00116476
-0.01579903 0.01019908 -0.00158271
-7.99912520 1.00324097 9.93464729
-0.00006106 0.00095297 0.00000391
-0.01783857 -0.00822324 0.00010847
19.03354031 9.72286510 7.61787222
-0.00075647 0.00017610 -0.00020929
0.01625925 -0.00664424 -0.01922858
21.68164123 10.09996372 6.00355752
-0.00004660 -0.00067782 -0.00017553
-0.04733945 -0.01222805 0.00302584
-3.18787897 0.63845591 -22.53157120
-0.00104335 -0.00004066 -0.00068673
0.00490744 -0.00461946 0.05145789
-5.30389174 0.33453095 -24.64278978
-0.00029263 -0.00050227 -0.00043947
0.04819038 0.00890779 0.01172075
-12.81614548 9.55859056 10.64660928
0.00013276 0.00012398 -0.00025034
0.00316221 0.00292951 -0.00871276
-13.76712918 9.52840556 7.81781710
-0.00076894 -0.00021753 -0.00039473
0.00517724 -0.01123666 0.02138212
-13.62943575 4.20693133 -4.81034356
0.00070761 -0.00039182 0.00024958
0.00573595 -0.05360672 -0.03024334
-15.11705824 6.60239555 -4.74336871
-0.00066164 -0.00011131 0.00101312
0.00668468 -0.00367311 0.00892901
-5.36999467 -15.98467959 20.98654751
0.00029730 0.00064855 -0.00025937
-0.00319570 -0.00378954 0.00996909
-2.98155075 -15.24751879 19.66062230
0.00001977 0.00070271 0.00049826
0.00529746 0.00356082 -0.00146435
-6.53919930 6.77259403 -6.59681089
0.00005902 0.00015029 -0.00001550
0.00532068 0.02039752 0.00023125
-7.95514293 9.19209802 -5.65781771
-0.00135533 -0.00031422 -0.00094541
0.00342578 0.00466609 -0.00436790
-21.02533579 30.89114802 0.10009913
-0.00005910 -0.00062062 0.00050430
0.01424402 -0.00601643 0.00454271
-18.12069887 30.33834494 0.60254472
-0.00048343 -0.00080663 -0.00103074
0.02938129 -0.00023742 -0.01625482
8.88222715 3.01777090 6.88062278
-0.00033288 -0.00013567 0.00027027
0.03347194 0.01670107 0.02484657
9.72835909 5.37551208 8.48322011
-0.00028163 -0.00020200 0.00029205
-0.01519025 0.04809840 0.00858207
8.53349230 17.80478421 -12.31493866
0.00029314 -0.00001926 -0.00022415
-0.00875673 -0.00420021 -0.00275015
8.57926717 15.21403050 -11.41650972
-0.00028991 0.00000001 -0.00046242
0.00636658 -0.01840667 0.00582534
12.86962712 5.78082106 0.00775049
0.00067362 0.00029068 0.00024462
0.03137279 -0.03494010 0.00229554
14.30404589 3.18030404 0.83179237
-0.00070296 -0.00067926 0.00117750
-0.01170352 -0.00509751 0.02481318
-4.64854616 11.82052895 -2.71266565
-0.00098706 0.00103600 0.00101559
-0.00783093 0.02016870 -0.00146986
-5.29474101 10.11900197 -0.85954002
0.00001780 -0.00005728 -0.00073143
-0.01617754 0.01442622 0.01398168
7.79214328 12.97946904 4.73744639
0.00070556 -0.00177465 -0.00007725
0.00343702 0.01166018 -0.00407694
10.24532258 11.24908269 4.55550311
-0.00011206 -0.00044186 0.00008928
-0.01572087 -0.00243470 0.00268311
19.08959023 -10.90446258 -9.06033580
0.00124436 0.00087318 -0.00070385
-0.01453591 0.00905267 0.01625562
20.55579014 -12.78201790 -10.41744932
-0.00023092 0.00014225 0.00057597
0.02488157 -0.05347958 -0.00002232
19.10070138 -4.91259008 -1.73093066
0.00081781 -0.00033659 0.00038732
0.00006501 -0.00134130 -0.01834576
18.26828471 -7.35528095 -0.20131423
0.00002019 -0.00012723 0.00006822
0.00156531 0.00942193 -0.00519489
14.81434588 9.06099096 9.29362586
-0.00089232 -0.00050571 -0.00017657
0.01099826 -0.01945299 0.00410469
16.62074024 7.87743879 11.29362065
-0.00002690 0.00035508 -0.00022348
-0.00706890 -0.00367627 -0.01011985
2.83755914 -15.87937607 17.55576894
0.00046781 -0.00129075 -0.00043887
-0.00714528 -0.00372307 -0.00583230
3.25363965 -12.97652241 17.17218572
-0.00012010 0.00105651 -0.00052456
0.00142739 0.00125263 -0.00124547
-4.43277332 -4.31733635 -13.68967884
-0.00078733 0.00016324 -0.00004443
0.00452096 0.01296453 0.00159937
-2.07249862 -2.28575298 -13.36275169
-0.00009470 -0.00020547 0.00010602
-0.01242885 -0.00825881 -0.00598161
16.06667545 -7.31932165 -14.76436539
0.00034103 -0.00037697 0.00014226
0.00425934 -0.01381357 -0.01440815
17.25953957 -7.43768397 -11.94432506
0.00030738 0.00034532 0.00055718
-0.00848763 0.00808457 -0.00802031
9.18398529 -4.24770018 5.38299958
-0.00030665 0.00025900 0.00117322
0.01876819 -0.00568689 0.00614480
12.18093526 -4.30366353 5.86754425
-0.00036165 0.00121970 -0.00045604
0.02943981 0.00744572 -0.02973241
-20.96122649 -0.17669901 24.70747606
-0.00004734 -0.00119971 0.00056248
-0.02300466 -0.00910285 -0.00096295
-20.11154523 2.66943419 25.21194148
0.00025445 -0.00027128 -0.00035105
-0.00618807 -0.01102221 0.00440554
24.66364171 -2.39680249 -6.98514240
0.00058318 0.00043105 0.00039334
0.01107839 -0.00870098 -0.00308681
24.03295555 -0.63139942 -9.32043047
-0.00024441 0.00013358 -0.00004103
0.00065668 0.00055725 0.02643385
12.38296699 -10.11360926 -9.61476519
0.00011947 0.00074206 0.00111851
0.00582078 0.00592679 0.01010044
12.52423223 -8.50863072 -12.05746357
0.00065455 0.00015428 -0.00011384
0.00470569 0.00131306 -0.00158965
-9.13830559 -9.22173747 18.37073542
0.00128971 -0.00055996 0.00030975
0.00576471 -0.01144005 -0.01356266
-11.42890176 -9.44554150 16.87264272
-0.00011265 0.00077230 0.00045185
-0.05123094 0.00785192 0.00291583
8.53326859 0.23727727 -30.04870376
0.00074428 -0.00003117 0.00053743
-0.00400232 0.00810400 0.01309188
5.69339336 0.43949391 -29.21913217
-0.00036540 -0.00109001 -0.00024458
-0.01985043 0.00480204 -0.00788539
12.56183161 19.66325114 12.44270213
0.00025297 0.00056543 -0.00011281
-0.00147150 -0.02682150 0.00169245
13.33906876 17.55961291 10.61891777
-0.00083571 0.00065696 -0.00132134
0.00113063 -0.00163703 0.00107931
27.84832319 7.71748801 -11.58232701
0.00032537 -0.00004603 -0.00017727
-0.02118434 -0.00335245 0.00644265
25.73410170 7.15647618 -9.37824908
-0.00012866 0.00005367 -0.00036954
0.01340551 0.01036466 0.00160183
-7.02060610 4.54031179 6.65765136
0.00025645 -0.00012421 -0.00011129
-0.00180307 -0.00263146 -0.00612546
-8.85975929 8.69283885 3.87970030
0.00019917 -0.00013930 -0.00000060
-0.00667849 -0.00543161 -0.00354775
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07891006
0.30649652
408.39124999
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.790 s
total exchange = -52.3242397263 (a.u.)
total exchange computation time: 3.0713050365 s
-153.7358289489
-931.38225705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3241329657 (a.u.)
total exchange computation time: 3.0741839409 s
-153.7372687371
Anderson extrapolation: theta=1.3555434623 (1.3555434623)
-931.38252233
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3238972433 (a.u.)
total exchange computation time: 3.0698499680 s
-153.7397787406
Anderson extrapolation: theta=0.0559962801 (0.0559962801)
-931.38268298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3238060367 (a.u.)
total exchange computation time: 3.0687289238 s
-153.7404619195
Anderson extrapolation: theta=2.0466119521 (2.0000000000)
-931.38269003
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3235907034 (a.u.)
total exchange computation time: 3.0684671402 s
-153.7420040802
Anderson extrapolation: theta=0.2566546976 (0.2566546976)
-931.38269845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3235214452 (a.u.)
total exchange computation time: 3.0689408779 s
-153.7424400874
Anderson extrapolation: theta=1.6637934040 (1.6637934040)
-931.38270036
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3234189868 (a.u.)
total exchange computation time: 3.0730681419 s
-153.7430199828
Anderson extrapolation: theta=0.3152541492 (0.3152541492)
-931.38270266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3234021491 (a.u.)
total exchange computation time: 3.0681679249 s
-153.7430510379
Anderson extrapolation: theta=1.1956529879 (1.1956529879)
-931.38270329
29.724229 67.066229 -295.885184
545.231818 1080.808166 -416.526740
574.956047 1147.874395 -712.411924
1468.237321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0647529070
ExchangeOperator: pair fraction: ispin=0: 0.1647809627
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3233952550 (a.u.)
total exchange computation time: 3.0694541931 s
678.10623288
-1082.13201426
89.87611284
-390.21299292
-174.69664707
77.37142550
551.60419304
0.00000000
-931.38270379
3.52755472 -31.19200453 -3.85445618
-0.00029476 0.00049589 0.00000949
0.00761477 0.01462837 0.02975063
-11.20399070 2.14348208 -9.36109397
-0.00006644 -0.00024471 -0.00006611
0.02564900 0.01708455 -0.01985102
-36.91566175 2.01031840 3.99542058
0.00056120 0.00028813 0.00008110
-0.02443366 -0.02752766 0.01698878
-7.72273223 -3.64533743 2.89415023
-0.00007103 -0.00009880 -0.00028272
-0.02066674 -0.01595259 -0.00684988
2.38572804 -0.01693391 9.66450021
0.00017054 0.00013735 -0.00012940
-0.03916180 0.03842518 0.00314185
-31.29584539 1.39734338 3.49069446
-0.00018067 -0.00004216 0.00003116
-0.03974930 0.02194601 0.00934506
16.52498734 13.19093518 -17.67377079
0.00028432 0.00013726 0.00013219
-0.01807688 0.01343703 -0.01010343
-3.34695874 4.86905891 4.00875888
-0.00025680 -0.00014464 -0.00058589
-0.00845674 0.00325429 -0.03531930
4.83347192 17.34734454 -6.68032951
-0.00008945 -0.00005835 -0.00009410
0.02734525 0.02135730 0.00763156
8.30562402 7.48715912 -21.28205309
0.00014711 0.00041005 -0.00010993
0.01747722 -0.00572495 0.01388999
19.99596216 18.80937549 -5.32345125
0.00060611 0.00013504 0.00001794
0.00597435 0.05448295 0.00036585
2.03150394 14.65081805 -21.40027884
-0.00016064 -0.00016433 0.00005627
-0.00577423 -0.01064153 0.00539150
10.55987702 -5.52186593 0.03444510
0.00007077 0.00002623 -0.00010187
-0.01116464 -0.00622906 -0.00143431
-16.44572117 -5.58598373 4.77123070
0.00011136 -0.00011520 -0.00015802
-0.04220187 -0.00501036 -0.00102940
-14.19507706 -1.51837237 20.76378195
0.00001510 0.00015623 0.00002196
-0.01999605 0.04320469 -0.03960078
0.63168652 3.64202476 -4.82409352
-0.00048309 0.00007976 -0.00011123
0.01779425 0.02509021 -0.02007793
20.79240117 -9.56765778 -4.30440865
-0.00049421 -0.00005384 -0.00024850
-0.04155671 -0.02100465 0.01669993
2.74546672 -10.85960652 6.74360104
-0.00012327 0.00000057 -0.00004188
0.04470446 -0.00712144 0.01484146
-1.87812716 -1.80743535 -19.35687966
-0.00014839 0.00005893 0.00022883
-0.00865875 -0.02743458 -0.03543584
-0.61470059 5.27932409 -11.30394461
-0.00031174 0.00030320 -0.00005904
0.00841583 -0.00190866 0.00894892
-4.88034628 15.49209418 13.76336919
-0.00002199 -0.00000062 0.00056777
0.02011103 0.02831236 0.02125795
-4.97899847 3.16286185 -8.08004763
-0.00000170 0.00026878 -0.00021606
0.00019022 -0.00849326 0.02593730
-8.54853624 0.04457458 -4.31204375
0.00019500 -0.00014663 0.00035715
0.00753346 -0.02063647 -0.00879478
3.03579985 27.73005263 5.64477132
0.00019224 -0.00038785 -0.00004064
-0.01149490 0.02153537 -0.02798423
8.62316865 -9.61693403 -2.09398567
-0.00008904 -0.00001650 0.00003546
0.02747264 0.02037400 0.00123790
-6.24715495 1.35332602 10.03587497
0.00007839 -0.00015095 0.00023556
0.03032111 -0.01970622 -0.02215181
19.80174141 9.54109611 5.89631589
0.00031233 0.00001979 -0.00029184
0.03967526 0.02111122 0.02300291
-3.37921904 0.56795504 -24.26429885
0.00006898 -0.00013559 0.00010427
-0.06017223 -0.00680759 -0.07453095
-13.65272760 8.48230293 9.42264461
-0.00008314 0.00012200 -0.00015756
-0.00917471 0.00844600 -0.01850862
-13.68516882 5.69845016 -3.95021388
0.00031300 -0.00015565 -0.00013376
-0.01143781 0.05355260 0.01984290
-3.77958393 -15.06604911 21.29051117
-0.00000407 -0.00002787 0.00011708
-0.00209187 -0.00084391 -0.00716536
-6.38036377 8.63158910 -6.41861216
-0.00013316 0.00012029 0.00028411
-0.00478575 -0.02847313 -0.00195169
-19.72901658 30.44808205 1.33094242
0.00005064 0.00037188 0.00019065
-0.04028234 0.00809248 0.01121264
10.25937604 3.74748274 8.10634622
-0.00018538 0.00029088 -0.00013515
-0.01691826 -0.06548694 -0.03449841
7.35906843 16.51386118 -11.69387206
-0.00029237 -0.00002109 0.00022326
-0.00354515 0.02277215 0.00409155
14.07483841 4.37488290 -0.48554370
0.00007832 -0.00030395 0.00027859
-0.01827576 0.03782204 -0.02736833
-5.85277289 11.88277531 -1.29413749
-0.00021490 -0.00003803 -0.00014497
0.02102898 -0.02356733 -0.00542495
8.40205700 11.27537559 4.92148617
0.00015286 -0.00044378 -0.00000223
0.01065834 -0.01570975 0.00814903
19.89097640 -11.18947502 -10.63558201
0.00004441 -0.00003474 -0.00023389
-0.00678867 0.04014888 -0.02407081
19.26657187 -5.76174752 -0.15293574
0.00010780 0.00027202 0.00014299
-0.00612686 -0.02137891 0.02408194
15.87015668 7.55409445 9.63514840
-0.00019867 -0.00009400 0.00011821
-0.01095120 0.02655185 0.00652501
3.76896214 -14.63058383 16.58829721
-0.00020444 -0.00007941 0.00004931
0.00638285 0.00932927 0.00153121
-3.77006077 -2.53450493 -14.06237198
-0.00025410 0.00017157 -0.00042858
0.02304262 0.02175484 0.00551370
16.28153393 -6.41951648 -13.17131195
-0.00001700 0.00021341 0.00009831
-0.00611017 -0.02278912 0.00972112
10.58668038 -4.51569836 6.58691989
-0.00006219 -0.00024920 0.00034748
-0.04131681 -0.00168378 0.02357186
-19.61209599 0.90003905 25.20022303
-0.00018584 0.00034905 0.00025345
0.02463416 0.01182540 0.00291398
24.00126726 -0.74476784 -7.39874565
-0.00016716 -0.00000156 0.00005360
-0.00735883 0.01160792 -0.03626600
11.52774028 -9.73566613 -11.16973876
-0.00002826 -0.00003820 0.00010616
-0.00269260 -0.00549170 0.00078317
-9.76317575 -9.92656268 16.77158722
-0.00007421 0.00010469 0.00028176
0.04764286 0.00253691 0.00713653
7.32831224 0.02252950 -28.63219060
-0.00007562 -0.00038830 -0.00012421
0.02540400 -0.00630686 0.00255954
12.59433307 17.78427044 12.28311078
0.00000636 0.00003389 0.00018302
0.00472889 0.03905261 -0.00547754
25.98825739 7.53929966 -11.16141425
0.00011063 0.00026602 0.00002824
0.01322190 0.00095506 -0.00484331
4.03117294 -29.72941837 -4.85927193
0.00090757 -0.00037016 0.00022295
0.00144483 0.00057901 -0.00947400
3.28461683 -30.41331381 -2.09496292
-0.00025793 0.00031284 -0.00057119
-0.00173490 -0.01707450 -0.02031079
-9.52363444 2.92083317 -8.88955667
-0.00010394 -0.00084979 -0.00025929
-0.03384641 -0.01515124 -0.00656729
-11.64552575 2.80211373 -11.14095803
-0.00003697 0.00054491 -0.00013364
0.00905797 -0.00932954 0.02345206
-36.78434295 3.48000132 2.98473274
-0.00025639 -0.00003600 0.00006445
-0.00458489 0.02087155 -0.00991089
-38.80198942 1.53484557 4.04365466
-0.00019719 -0.00006830 0.00053368
0.03411421 0.00729991 -0.00646932
-9.16290394 -4.55802597 2.03043009
0.00024661 -0.00137354 0.00070188
0.01028507 0.01370183 0.00167710
-6.35740291 -4.81169034 2.59828050
-0.00034595 -0.00037632 -0.00003156
0.00438251 -0.00043071 0.00418460
3.36889406 -1.19979033 8.85485728
0.00001713 0.00001780 -0.00090854
0.03152673 -0.03625014 -0.02291813
1.56904149 0.90354750 8.25718004
-0.00020167 -0.00065435 0.00047333
0.00841147 -0.00435077 0.01811619
-30.78644467 -0.28462946 3.70915299
0.00054111 0.00031668 -0.00069566
0.02154833 -0.03726449 -0.00254039
-33.16152627 1.19637456 3.72358775
0.00044382 -0.00055963 0.00099258
0.02218049 0.01124163 -0.00586013
15.29750466 12.10151659 -18.66012200
-0.00110247 -0.00016640 -0.00032855
0.02680825 0.01055666 0.02288526
18.04024928 12.21860798 -17.28609370
0.00038279 -0.00087847 -0.00021225
-0.00713185 -0.01163917 -0.00785467
-2.51343472 6.22761509 4.87837657
0.00106793 -0.00040524 -0.00005981
0.00201151 0.00811925 0.00974145
-3.65787852 5.73070457 2.33791700
0.00051270 -0.00035194 -0.00050488
0.00553928 -0.01855477 0.02533765
5.98447705 17.27913433 -8.20907329
0.00086558 0.00118492 -0.00111684
-0.01556084 -0.00011855 0.01818999
5.62228949 18.61057327 -5.47261205
-0.00000147 -0.00088538 0.00000031
-0.00710227 -0.02706680 -0.02900857
9.02478805 6.42379878 -22.60013755
-0.00035211 0.00004216 -0.00052041
-0.00841853 0.00437582 -0.00519257
9.67080224 7.67296766 -19.98128676
-0.00071977 0.00109706 -0.00022334
-0.01629042 0.00292404 -0.01449988
19.61234166 20.46423523 -4.35648894
-0.00048964 0.00012171 -0.00011773
0.00053393 -0.03753825 -0.00712685
21.23207688 19.64013359 -6.48766965
0.00059016 -0.00079962 0.00029993
-0.01065788 -0.01526089 0.01051197
1.62240912 13.08820146 -20.55216310
-0.00012555 0.00060538 0.00069759
0.01788867 -0.00732911 0.00796845
0.30518844 15.02747136 -21.85621703
0.00037602 -0.00023790 0.00027184
-0.01227350 0.02297325 -0.00954545
9.74371323 -7.13105393 -0.51029891
0.00034997 0.00088282 0.00007894
0.00886766 0.01321499 0.00357943
9.27719858 -4.22477442 -0.34881779
0.00068905 -0.00012637 0.00018243
0.01214858 -0.00364783 0.00319721
-17.12414651 -6.52495840 6.21655396
0.00004542 0.00005975 0.00026370
0.01057732 0.00761116 -0.00213829
-18.07289103 -5.30655137 3.83477842
0.00028225 0.00006051 -0.00053117
0.03102841 -0.00455898 0.00428916
-14.23253010 -0.87346120 18.91451188
0.00021945 0.00009725 -0.00060788
0.00180609 -0.01630692 0.03691838
-15.18187154 -0.16797708 21.59994502
-0.00020760 -0.00018052 -0.00003628
0.01173645 -0.01968993 -0.00132966
-0.14924916 2.97111124 -3.38204923
-0.00039033 -0.00055742 0.00039826
-0.01473780 -0.01979272 0.01633704
1.20024478 2.30182036 -5.94217621
0.00060269 -0.00036355 0.00044138
-0.00578348 -0.00673285 0.01048872
20.20963804 -9.00927086 -5.88103459
0.00074014 0.00056074 -0.00075776
-0.01567741 0.01112149 -0.02305838
22.51099149 -9.20199537 -4.34190651
-0.00040993 0.00080477 -0.00089700
0.04802265 0.00640533 0.00358433
4.66665599 -11.21992773 6.46683258
0.00035109 -0.00016651 -0.00063630
-0.05952053 0.00407423 0.00914116
2.39095395 -11.25275828 8.55156968
-0.00030333 0.00057654 0.00096503
0.01421850 0.00311495 -0.02214910
-2.63834395 -3.32256692 -20.29970147
-0.00010338 -0.00139808 0.00018835
0.02097678 0.02527728 0.01557856
-2.94727519 -1.62328994 -17.93292305
-0.00061075 -0.00081342 -0.00015846
-0.00758826 0.00349003 0.01890606
1.23175352 5.69477258 -11.34778244
0.00129453 -0.00005349 0.00082436
-0.02216516 -0.00601959 0.00501162
-1.04569291 4.44815435 -9.69687451
0.00028916 0.00099204 -0.00072244
0.00426457 0.00844093 -0.01404735
-4.02270374 16.98338172 14.66967805
0.00078373 0.00120027 0.00023353
-0.01648851 -0.03095566 -0.01239492
-6.60110706 16.08324307 13.49764268
-0.00001475 -0.00000996 -0.00059149
0.00010725 0.00084987 0.00577588
-5.24864089 2.09086518 -6.59721748
0.00052908 0.00008915 -0.00032546
0.00275910 0.01031035 -0.01048765
-5.29140995 2.03954885 -9.55446373
0.00047230 -0.00027205 -0.00074524
-0.00318216 0.01212872 0.00236236
-9.25422052 -1.65521626 -4.39508993
0.00043628 0.00060765 0.00026154
0.00630714 0.00784869 0.00089495
-9.51649018 0.84038506 -3.02818696
0.00004067 -0.00151961 -0.00026108
-0.00814601 0.01332051 0.01312107
2.34259256 29.09784472 4.52969487
-0.00038764 0.00064029 -0.00031852
0.01852176 -0.02195592 0.00575593
2.12636033 28.09029377 7.14432594
-0.00070842 -0.00055894 -0.00077302
-0.00366016 -0.00277273 0.01994910
6.98330647 -9.67670386 -2.77504917
-0.00142498 0.00095803 0.00106681
-0.03165381 -0.00792564 -0.00507501
8.99028809 -11.03112032 -1.05251054
-0.00015936 -0.00060059 -0.00067399
-0.00690814 -0.02120761 0.00776313
-5.23210150 -0.19151401 9.39522783
0.00122965 -0.00017375 -0.00116801
-0.01934892 0.01263240 -0.00000993
-8.00058767 1.01728358 9.93470928
-0.00013377 0.00091773 0.00000377
-0.01775599 -0.00902670 -0.00017678
19.02269152 9.72530296 7.61414364
-0.00068635 0.00014817 -0.00029268
0.01806451 -0.00702521 -0.02158940
21.67949167 10.08942169 6.00101731
-0.00023480 -0.00072511 -0.00016185
-0.04478890 -0.01092043 0.00366821
-3.20337889 0.63770438 -22.54029534
-0.00102129 -0.00005868 -0.00045911
0.00589292 -0.00419799 0.05996291
-5.30680453 0.32726987 -24.64902264
-0.00009276 -0.00046469 -0.00039127
0.04964767 0.00948821 0.01187169
-12.81405720 9.56054006 10.64258718
0.00014552 0.00013623 -0.00028659
0.00308511 0.00306471 -0.00902966
-13.77850469 9.52479829 7.81255131
-0.00074673 -0.00026306 -0.00030660
0.00569563 -0.01105138 0.02175794
-13.61864587 4.19941140 -4.80752665
0.00072977 -0.00060709 0.00012715
0.00511065 -0.05177247 -0.02968510
-15.12677796 6.60061333 -4.72789824
-0.00063123 -0.00012950 0.00104909
0.00820133 -0.00523170 0.00867735
-5.36563314 -15.97506750 20.98296250
0.00027861 0.00062912 -0.00021951
-0.00595337 -0.00571888 0.00954042
-2.98109193 -15.23686902 19.66805128
0.00004431 0.00071651 0.00048658
0.00671643 0.00319629 -0.00425042
-6.53815092 6.77547347 -6.59703632
0.00008101 0.00023253 -0.00001482
0.00544478 0.01985712 0.00010066
-7.97536785 9.18752766 -5.67213264
-0.00133583 -0.00029634 -0.00096516
0.00611632 0.00408769 -0.00530192
-21.02578583 30.88165436 0.10780283
-0.00000602 -0.00064366 0.00051916
0.01174056 -0.00526392 0.00273071
-18.12705000 30.32623815 0.58658547
-0.00036597 -0.00080831 -0.00109530
0.02811625 -0.00058165 -0.01534590
8.87825956 3.01624763 6.88543820
-0.00019663 -0.00006688 0.00037053
0.03322358 0.01696965 0.02422944
9.72366920 5.37395598 8.48786384
-0.00034550 -0.00000093 0.00032792
-0.01607344 0.05032697 0.00897794
8.53762101 17.80436656 -12.31838512
0.00025264 -0.00004060 -0.00023285
-0.01106814 -0.00624346 -0.00150934
8.57511365 15.21346662 -11.42326755
-0.00026296 -0.00007713 -0.00043792
0.00682458 -0.01935466 0.00616780
12.88069273 5.78411062 0.01149015
0.00080053 0.00014796 0.00025391
0.03075027 -0.03492177 0.00225091
14.29314293 3.16995895 0.85021519
-0.00075242 -0.00069089 0.00126830
-0.01250862 -0.00059525 0.01963601
-4.66359208 11.83668698 -2.69747687
-0.00100672 0.00111819 0.00099351
-0.00178971 0.02006241 -0.00933992
-5.29496980 10.11858488 -0.87008308
-0.00004842 0.00000030 -0.00067335
-0.01623463 0.01375807 0.01444865
7.80283197 12.95320664 4.73616275
0.00071092 -0.00170470 -0.00009630
-0.00081046 0.02257752 -0.00524861
10.24315989 11.24238011 4.55692458
-0.00017239 -0.00045266 0.00009967
-0.01381120 -0.00284896 0.00240183
19.10781025 -10.89108750 -9.07039543
0.00117858 0.00091373 -0.00062523
-0.01766546 0.01079600 0.02223096
20.55308884 -12.78152287 -10.40881049
-0.00012873 -0.00007768 0.00057573
0.02513699 -0.05417771 -0.00009387
19.11297057 -4.91768001 -1.72568297
0.00081724 -0.00033730 0.00030399
-0.00034353 0.00099561 -0.02244671
18.26863556 -7.35690070 -0.20045010
0.00002912 -0.00008457 0.00004758
0.00280530 0.01145869 -0.00490701
14.80129814 9.05280923 9.29110312
-0.00084639 -0.00058564 -0.00015907
0.01148144 -0.01967509 0.00446085
16.62012011 7.88265238 11.28995830
-0.00005496 0.00034063 -0.00026229
-0.00666463 -0.00340008 -0.00887655
2.84435734 -15.89885148 17.54900717
0.00043795 -0.00130062 -0.00046284
-0.00746955 -0.00110827 -0.00590164
3.25188190 -12.96063642 17.16427908
-0.00011261 0.00104777 -0.00053133
0.00224063 -0.00552881 -0.00206519
-4.44444473 -4.31449051 -13.69029633
-0.00076887 0.00021655 -0.00003809
0.00451508 0.01313168 0.00150487
-2.07429993 -2.28908810 -13.36134468
-0.00014890 -0.00023955 0.00007979
-0.01410403 -0.00842414 -0.00685821
16.07192145 -7.32539947 -14.76267307
0.00035887 -0.00043178 0.00008544
0.00447069 -0.01301681 -0.01340276
17.26389022 -7.43225637 -11.93621311
0.00027021 0.00038102 0.00052186
-0.00971052 0.00938843 -0.00927007
9.17996065 -4.24398947 5.40078624
-0.00023389 0.00023628 0.00119533
0.01684859 -0.00543290 0.00467644
12.17641258 -4.28513984 5.85979254
-0.00024661 0.00124998 -0.00057452
0.02687350 0.00737569 -0.02826199
-20.96264151 -0.19497361 24.71588383
-0.00013242 -0.00122750 0.00056218
-0.01864424 -0.00450225 0.00081129
-20.10791803 2.66502724 25.20681072
0.00022456 -0.00030655 -0.00033326
-0.00844519 -0.00624101 0.00430103
24.67272893 -2.39060336 -6.97933689
0.00062856 0.00039478 0.00038012
0.01113495 -0.00905500 -0.00338511
24.02930959 -0.62937866 -9.32023595
-0.00024135 0.00013515 0.00006777
0.00083736 0.00021319 0.02682457
12.38493738 -10.10229680 -9.59767801
0.00013713 0.00076844 0.00114939
0.00282718 0.00698818 0.00501265
12.53419468 -8.50627627 -12.05921981
0.00066823 0.00015304 -0.00011567
0.00198934 -0.00192278 0.00069120
-9.11878336 -9.23048742 18.37496612
0.00131018 -0.00060739 0.00025168
0.00425850 -0.01177532 -0.01486584
-11.43216133 -9.43371638 16.87950983
-0.00031453 0.00080350 0.00046530
-0.04759445 0.00742049 0.00366993
8.54431017 0.23705803 -30.04024110
0.00072618 0.00000231 0.00058998
-0.00486062 0.00828566 0.01262891
5.68730405 0.42329085 -29.22304257
-0.00044265 -0.00107093 -0.00027673
-0.01796344 0.00454066 -0.00784912
12.56558115 19.67091070 12.44106180
0.00024676 0.00045071 -0.00010536
-0.00157025 -0.02933638 0.00195698
13.32656773 17.56941714 10.59913067
-0.00083654 0.00065083 -0.00130389
-0.00153828 -0.00136321 0.00746424
27.85255466 7.71669479 -11.58478870
0.00023752 -0.00005977 -0.00015037
-0.02182259 -0.00337288 0.00672933
25.73258254 7.15759878 -9.38374315
-0.00007359 0.00009548 -0.00035793
0.01355275 0.01010447 0.00408200
-7.01676424 4.53844155 6.65596554
0.00025582 -0.00012513 -0.00011347
-0.00168462 -0.00249813 -0.00605279
-8.85678340 8.69073987 3.87968514
0.00019764 -0.00014051 -0.00000142
-0.00651093 -0.00499476 -0.00352018
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07915907
0.30354472
404.45811646
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3182810705 (a.u.)
total exchange computation time: 3.0260779858 s
-153.7144260804
-931.38149731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3182299721 (a.u.)
total exchange computation time: 3.0240249634 s
-153.7156442393
Anderson extrapolation: theta=1.3724076330 (1.3724076330)
-931.38177010
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3180962737 (a.u.)
total exchange computation time: 3.0246119499 s
-153.7177968500
Anderson extrapolation: theta=0.0622155207 (0.0622155207)
-931.38193945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3180342802 (a.u.)
total exchange computation time: 3.0257980824 s
-153.7183951246
Anderson extrapolation: theta=2.1925799757 (2.0000000000)
-931.38194811
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3178929173 (a.u.)
total exchange computation time: 3.0268440247 s
-153.7196963081
Anderson extrapolation: theta=0.3459460516 (0.3459460516)
-931.38195924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3178441288 (a.u.)
total exchange computation time: 3.0275750160 s
-153.7201042115
Anderson extrapolation: theta=1.2872674402 (1.2872674402)
-931.38196221
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3177987973 (a.u.)
total exchange computation time: 3.0276529789 s
-153.7204466611
Anderson extrapolation: theta=0.4440163064 (0.4440163064)
-931.38196496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3177972562 (a.u.)
total exchange computation time: 3.0237290859 s
-153.7204168092
Anderson extrapolation: theta=0.9362282167 (0.9362282167)
-931.38196589
29.771747 66.948611 -295.947490
545.209798 1080.818548 -416.544437
574.981545 1147.767159 -712.491927
1468.202294
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1653866955
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3178094984 (a.u.)
total exchange computation time: 3.0273091793 s
678.01681502
-1081.94033353
89.88346721
-390.34240122
-174.68170441
77.26874358
551.60419304
0.00000000
-931.38196643
3.52316274 -31.18450975 -3.85419910
-0.00029091 0.00050247 0.00002452
0.00735702 0.01094515 0.02868825
-11.20488838 2.13987730 -9.36216212
-0.00005377 -0.00023601 -0.00007677
0.02363551 0.01676614 -0.02161477
-36.90733804 2.01453423 3.99670255
0.00054761 0.00027321 0.00009024
-0.02839362 -0.03051613 0.01857033
-7.72387733 -3.64688098 2.88988294
-0.00008166 -0.00010714 -0.00028616
-0.02070546 -0.01649044 -0.00649350
2.38813515 -0.01472547 9.66257125
0.00015169 0.00015556 -0.00012751
-0.03415121 0.03240191 0.00422400
-31.29870879 1.39679563 3.49119793
-0.00020039 -0.00003065 0.00003603
-0.03693000 0.02280641 0.00958077
16.52918242 13.19304597 -17.67182687
0.00027471 0.00014287 0.00012639
-0.01931337 0.00835029 -0.01244651
-3.35084329 4.86690180 3.99983423
-0.00026031 -0.00014226 -0.00060285
-0.00521548 0.00603418 -0.03061353
4.83223560 17.34655170 -6.68171151
-0.00007451 -0.00004775 -0.00009202
0.03077777 0.01987144 0.00044292
8.30789806 7.49328778 -21.28364845
0.00015528 0.00040686 -0.00010391
0.01429885 -0.00668067 0.00953182
20.00507684 18.81161129 -5.32318072
0.00060833 0.00016247 0.00001871
0.00265163 0.05216518 0.00263436
2.02907210 14.64831199 -21.39941404
-0.00016256 -0.00016939 0.00005903
-0.00171380 -0.00903776 0.00534674
10.56089546 -5.52149643 0.03291152
0.00006630 0.00002352 -0.00010201
-0.00620554 -0.00432521 0.00088724
-16.44421349 -5.58773100 4.76885646
0.00008963 -0.00011790 -0.00015824
-0.04233647 -0.00550343 0.00016617
-14.19492773 -1.51586231 20.76395863
0.00000507 0.00017822 0.00000096
-0.01901111 0.04230380 -0.04206004
0.62450877 3.64331791 -4.82583944
-0.00047438 0.00009171 -0.00012064
0.01609044 0.02140326 -0.01649204
20.78482769 -9.56854640 -4.30807177
-0.00051460 -0.00006408 -0.00024081
-0.03772878 -0.01883378 0.01322123
2.74379006 -10.85962548 6.74303005
-0.00010013 -0.00000335 -0.00003327
0.04529821 -0.00812743 0.01865671
-1.88038639 -1.80665726 -19.35358383
-0.00015325 0.00004368 0.00020997
-0.01025636 -0.03186621 -0.03790841
-0.61934416 5.28386473 -11.30479563
-0.00030471 0.00030343 -0.00005585
0.01889425 0.00281484 0.00344888
-4.88059862 15.49219404 13.77196772
-0.00001126 0.00001486 0.00057901
0.02162769 0.03189793 0.02245007
-4.97902324 3.16686073 -8.08318850
-0.00000169 0.00026396 -0.00020351
-0.00014823 -0.01024642 0.02286755
-8.54558216 0.04229558 -4.30672050
0.00020033 -0.00015690 0.00035141
0.01319316 -0.01929686 -0.01351120
3.03863917 27.72431798 5.64405376
0.00018587 -0.00037559 -0.00005617
-0.01329136 0.02612350 -0.03239379
8.62193895 -9.61710289 -2.09344897
-0.00007679 -0.00000617 0.00003533
0.02017449 0.01979690 -0.00176666
-6.24586217 1.35098575 10.03932288
0.00009456 -0.00016161 0.00022377
0.03257364 -0.02172915 -0.02367252
19.80657936 9.54147435 5.89202702
0.00033143 0.00003030 -0.00027968
0.03460390 0.01977744 0.02429095
-3.37841646 0.56589495 -24.26302235
0.00003772 -0.00013926 0.00006445
-0.06137954 -0.00745927 -0.08030003
-13.65401009 8.48416559 9.42020976
-0.00008793 0.00012617 -0.00016694
-0.00947039 0.00774767 -0.01795187
-13.68051790 5.69632201 -3.95214368
0.00030693 -0.00012880 -0.00012396
-0.01216751 0.05083773 0.01826228
-3.77965308 -15.06647045 21.29223974
-0.00000478 -0.00002775 0.00011415
-0.00064604 0.00131851 -0.00424885
-6.38237969 8.63328360 -6.41435804
-0.00013633 0.00010606 0.00028339
-0.00752047 -0.02686447 -0.00086474
-19.72841242 30.45369153 1.33384546
0.00003133 0.00037592 0.00019655
-0.03480089 0.00759036 0.01173723
10.25653012 3.75159333 8.10418589
-0.00019380 0.00025722 -0.00015256
-0.01582415 -0.06538771 -0.03318949
7.35466921 16.51363271 -11.69050734
-0.00029364 -0.00000878 0.00022509
-0.00137525 0.02508584 0.00300380
14.07594278 4.37046956 -0.48147042
0.00006937 -0.00028585 0.00026586
-0.01655704 0.03256990 -0.02212977
-5.85591522 11.88211395 -1.29633300
-0.00020577 -0.00004989 -0.00014580
0.01445777 -0.02255036 0.00220421
8.40439104 11.26865835 4.92148409
0.00015883 -0.00045454 0.00000236
0.01254116 -0.02615982 0.00971370
19.89161635 -11.18984125 -10.63918324
0.00004178 -0.00001495 -0.00024753
-0.00342094 0.03679431 -0.02896868
19.26816527 -5.75774968 -0.15069797
0.00010440 0.00026008 0.00015622
-0.00711183 -0.02505060 0.02734449
15.86713434 7.55278680 9.63694670
-0.00020448 -0.00008049 0.00012110
-0.01163593 0.02599341 0.00470398
3.76592023 -14.63173902 16.58904275
-0.00020122 -0.00007355 0.00005030
0.00612304 0.01346913 0.00231061
-3.77378336 -2.53184753 -14.06877945
-0.00024194 0.00018282 -0.00042551
0.02425432 0.02202286 0.00644120
16.28125531 -6.41640324 -13.16979987
-0.00001992 0.00020116 0.00010317
-0.00523068 -0.02483622 0.00920503
10.58558819 -4.51944282 6.59222307
-0.00008175 -0.00025005 0.00035946
-0.03477248 -0.00164757 0.02298933
-19.61478861 0.90532046 25.20403595
-0.00017376 0.00035252 0.00025455
0.02235155 0.00164251 0.00138747
23.99873154 -0.74474650 -7.39808152
-0.00017084 0.00000445 0.00003508
-0.00697069 0.01178446 -0.03577229
11.52730602 -9.73626038 -11.16814335
-0.00002822 -0.00004047 0.00010731
0.00285374 -0.00332902 0.00370889
-9.76410512 -9.92498258 16.77584110
-0.00005081 0.00010627 0.00028546
0.04335640 0.00360062 0.00724526
7.32727594 0.01668074 -28.63404395
-0.00006299 -0.00039144 -0.00012284
0.02370328 -0.00592530 0.00279193
12.59444672 17.78492950 12.28583490
0.00000942 0.00005436 0.00017857
0.00715747 0.04053421 -0.01182281
25.98996789 7.54329371 -11.16100928
0.00011748 0.00026656 0.00002519
0.01340524 0.00112778 -0.00703449
4.04483078 -29.73495307 -4.85621791
0.00091476 -0.00036253 0.00018038
0.00207494 0.00315909 -0.01136729
3.28069476 -30.40914435 -2.10415321
-0.00026601 0.00024530 -0.00064850
-0.00222046 -0.01598811 -0.01752982
-9.52623073 2.90762209 -8.89364723
-0.00023782 -0.00090933 -0.00028421
-0.03168931 -0.01399380 -0.00563364
-11.64580271 2.81000143 -11.14224401
0.00000000 0.00050487 -0.00003596
0.00904054 -0.01026635 0.02436352
-36.78832936 3.48010084 2.98539576
-0.00027424 0.00005316 0.00002137
-0.00415072 0.02277255 -0.01117641
-38.80390194 1.53404471 4.05146163
-0.00005158 -0.00003694 0.00050658
0.03716550 0.00805079 -0.00679457
-9.15888957 -4.57820916 2.04100969
0.00028638 -0.00131590 0.00070750
0.00918108 0.01451297 0.00107476
-6.36245789 -4.81734838 2.59793529
-0.00032587 -0.00037809 -0.00001389
0.00544645 -0.00043651 0.00446696
3.37011716 -1.20063418 8.84052686
0.00014034 -0.00012372 -0.00099701
0.02878104 -0.03302251 -0.02038704
1.56627414 0.89359889 8.26483515
-0.00017208 -0.00066615 0.00054004
0.00607330 -0.00142211 0.01453601
-30.77766770 -0.28102109 3.69864030
0.00063004 0.00016249 -0.00070627
0.02198115 -0.03821636 -0.00265528
-33.15418932 1.18832460 3.73829688
0.00052778 -0.00051359 0.00096856
0.01891808 0.01129546 -0.00589766
15.28178911 12.09934414 -18.66434897
-0.00098459 -0.00011714 -0.00022848
0.03089595 0.01355423 0.02610122
18.04577263 12.20507435 -17.28951813
0.00034768 -0.00092193 -0.00024583
-0.01005447 -0.00963526 -0.00858292
-2.49735406 6.22178529 4.87777797
0.00107016 -0.00038023 -0.00002634
-0.00092164 0.00412432 0.00663892
-3.65001835 5.72485693 2.33112023
0.00053420 -0.00042515 -0.00040447
0.00498710 -0.01728136 0.02381146
5.99698389 17.29690451 -8.22526848
0.00079343 0.00118281 -0.00103250
-0.01975397 -0.00091236 0.02309445
5.62204973 18.59646320 -5.47349628
-0.00002853 -0.00099152 -0.00011373
-0.00613929 -0.02488883 -0.02681566
9.01924838 6.42456530 -22.60810286
-0.00038632 0.00006256 -0.00053737
-0.00832502 0.00560901 -0.00310761
9.65950657 7.68951316 -19.98508113
-0.00077998 0.00110784 -0.00027875
-0.01318394 0.00235287 -0.01262281
19.60501341 20.46491066 -4.35847329
-0.00048521 -0.00003184 -0.00014808
0.00163442 -0.03763019 -0.00773127
21.24060275 19.62767160 -6.48284852
0.00055099 -0.00085728 0.00033935
-0.00851574 -0.01296299 0.00878343
1.62107399 13.09705755 -20.54145513
-0.00005326 0.00057039 0.00073273
0.01750112 -0.00979921 0.00923408
0.31045264 15.02460676 -21.85243198
0.00031857 -0.00014231 0.00023060
-0.01584740 0.02382113 -0.01064007
9.74923444 -7.11740663 -0.50900513
0.00038163 0.00092633 0.00009060
0.00663452 0.00807981 0.00213034
9.28790653 -4.22678176 -0.34598332
0.00073301 -0.00013526 0.00019392
0.00937069 -0.00070376 0.00242766
-17.12314105 -6.52382887 6.22044394
0.00008913 0.00009250 0.00025139
0.01081881 0.00841934 -0.00388618
-18.06770641 -5.30578348 3.82694229
0.00040872 0.00004125 -0.00051252
0.03087784 -0.00486953 0.00483975
-14.22918304 -0.87250208 18.90652495
0.00022590 0.00003002 -0.00045274
0.00135162 -0.01660419 0.03902588
-15.18462583 -0.17128818 21.59936015
-0.00016079 -0.00025864 -0.00004126
0.01117733 -0.01855407 -0.00110900
-0.15555571 2.96214349 -3.37557477
-0.00044512 -0.00063313 0.00045533
-0.01208437 -0.01726940 0.01160308
1.20910787 2.29616082 -5.93523403
0.00057764 -0.00038766 0.00048605
-0.00647959 -0.00507101 0.01137474
20.22025981 -9.00051903 -5.89310763
0.00067483 0.00060391 -0.00084713
-0.01629649 0.01001445 -0.02068629
22.50631411 -9.18972754 -4.35525163
-0.00022031 0.00082877 -0.00087937
0.04479534 0.00534360 0.00504215
4.67009849 -11.22230058 6.45756813
0.00010385 -0.00014922 -0.00059664
-0.06150670 0.00438954 0.01027393
2.38683969 -11.24401474 8.56536640
-0.00024237 0.00059055 0.00086419
0.01562370 0.00374521 -0.02721324
-2.63925184 -3.34276352 -20.29639884
-0.00001360 -0.00128695 0.00025475
0.02296856 0.02911964 0.01692518
-2.95666892 -1.63538435 -17.93472063
-0.00064196 -0.00079809 -0.00007951
-0.00768871 0.00401544 0.01974122
1.25049222 5.69378575 -11.33526353
0.00118836 -0.00007996 0.00084188
-0.02980513 -0.00693753 0.00356806
-1.04122480 4.46329364 -9.70814161
0.00030127 0.00101908 -0.00076661
0.00166402 0.00479165 -0.00757126
-4.01145302 17.00043725 14.67280120
0.00071083 0.00106652 0.00017951
-0.01919842 -0.03451639 -0.01405114
-6.60132506 16.08311967 13.48894726
-0.00001190 -0.00000607 -0.00056676
0.00128869 0.00105425 0.00632986
-5.24062008 2.09251835 -6.60242069
0.00054006 0.00013081 -0.00036720
0.00261411 0.01008243 -0.00994449
-5.28442302 2.03583978 -9.56556996
0.00045976 -0.00021808 -0.00073014
-0.00295562 0.01429061 0.00502764
-9.24748312 -1.64586096 -4.39113940
0.00045865 0.00062708 0.00026280
0.00464410 0.00166118 -0.00027730
-9.51612979 0.81799909 -3.03170109
-0.00000084 -0.00145574 -0.00019532
-0.01216981 0.01794254 0.01907074
2.33734554 29.10677622 4.52509349
-0.00030649 0.00054156 -0.00028913
0.02120334 -0.02637227 0.00863065
2.11562183 28.08182464 7.13334189
-0.00072497 -0.00057055 -0.00068833
-0.00443986 -0.00290732 0.02150790
6.96096175 -9.66257624 -2.75920253
-0.00153916 0.00092593 0.00105224
-0.02423439 -0.00779030 -0.00205969
8.98768594 -11.04077909 -1.06238258
-0.00018788 -0.00068611 -0.00064282
-0.00705233 -0.02065118 0.00749849
-5.21424964 -0.19373311 9.37770733
0.00114419 -0.00011828 -0.00116511
-0.02248736 0.01452075 0.00143034
-8.00313833 1.03077299 9.93476044
-0.00020443 0.00087969 0.00000258
-0.01683304 -0.00959365 -0.00040695
19.01294983 9.72731027 7.60909192
-0.00060947 0.00011884 -0.00038438
0.01956639 -0.00733427 -0.02329855
21.67459717 10.07821039 5.99870190
-0.00041053 -0.00076649 -0.00014552
-0.04122889 -0.00933688 0.00432835
-3.21851765 0.63669558 -22.54534459
-0.00099601 -0.00007518 -0.00020256
0.00648299 -0.00387960 0.06562141
-5.30667459 0.32059028 -24.65452793
0.00011099 -0.00042496 -0.00034286
0.05009037 0.00995783 0.01182403
-12.81177985 9.56267738 10.63801169
0.00015803 0.00014901 -0.00032399
0.00303640 0.00319209 -0.00927907
-13.78953115 9.52051372 7.80861899
-0.00072255 -0.00030730 -0.00021795
0.00614080 -0.01060586 0.02163749
-13.60754277 4.18871853 -4.80652903
0.00074898 -0.00080962 0.00000999
0.00429373 -0.04736499 -0.02766581
-15.13599506 6.59851049 -4.71189597
-0.00059517 -0.00015376 0.00108364
0.00944844 -0.00664348 0.00823377
-5.36163647 -15.96580590 20.97996218
0.00024891 0.00060201 -0.00018156
-0.00858543 -0.00755486 0.00903859
-2.98022149 -15.22602337 19.67521976
0.00007440 0.00072892 0.00046387
0.00801237 0.00287519 -0.00686836
-6.53676885 6.77956988 -6.59725559
0.00010338 0.00031131 -0.00001476
0.00550432 0.01870678 -0.00006810
-7.99521792 9.18320781 -5.68677250
-0.00130536 -0.00028079 -0.00098853
0.00879809 0.00352608 -0.00613660
-21.02551634 30.87183809 0.11567388
0.00003605 -0.00066349 0.00052599
0.00884994 -0.00443854 0.00061241
-18.13167798 30.31409572 0.56968573
-0.00025661 -0.00081108 -0.00115459
0.02541449 -0.00077471 -0.01367547
8.87632813 3.01576437 6.89173856
-0.00006241 0.00000248 0.00046740
0.03247968 0.01698671 0.02319170
9.71799423 5.37548422 8.49305779
-0.00041145 0.00020459 0.00036432
-0.01620982 0.05027600 0.00883887
8.54107140 17.80356628 -12.32192409
0.00020327 -0.00006972 -0.00023671
-0.01309534 -0.00801360 -0.00038149
8.57137839 15.21171657 -11.42964737
-0.00023515 -0.00015692 -0.00041230
0.00679020 -0.01970378 0.00637556
12.89364291 5.78525995 0.01536776
0.00092348 0.00000707 0.00026339
0.02943411 -0.03404463 0.00239189
14.28147336 3.15957739 0.86984142
-0.00080496 -0.00068385 0.00133728
-0.01320963 0.00404266 0.01413006
-4.67874770 11.85407455 -2.68286049
-0.00100082 0.00119996 0.00093858
0.00467878 0.01996722 -0.01754544
-5.29619355 10.11901097 -0.87974064
-0.00011450 0.00005459 -0.00061353
-0.01611126 0.01281867 0.01483747
7.81347099 12.92832794 4.73455744
0.00069893 -0.00159021 -0.00012023
-0.00506114 0.03346566 -0.00646558
10.24015078 11.23550294 4.55849325
-0.00022411 -0.00046514 0.00010875
-0.01150681 -0.00325890 0.00204177
19.12494762 -10.87705077 -9.07909261
0.00110124 0.00096097 -0.00052402
-0.02019165 0.01232942 0.02730960
20.55192809 -12.78434819 -10.40017742
-0.00002782 -0.00029526 0.00057470
0.02426114 -0.05232887 -0.00041122
19.12521872 -4.92270893 -1.72181096
0.00081528 -0.00032923 0.00020531
-0.00061692 0.00295292 -0.02585674
18.26915833 -7.35781819 -0.19988670
0.00004276 -0.00003429 0.00002816
0.00386893 0.01315610 -0.00459896
14.78895405 9.04342168 9.28885377
-0.00079925 -0.00066539 -0.00014039
0.01159614 -0.01936193 0.00468322
16.61909153 7.88765759 11.28575194
-0.00008104 0.00032745 -0.00029540
-0.00610133 -0.00304796 -0.00733104
2.85069776 -15.91839480 17.54188372
0.00040563 -0.00130153 -0.00048628
-0.00835556 0.00066512 -0.00557270
3.25026148 -12.94508928 17.15624588
-0.00010190 0.00101224 -0.00054118
0.00299806 -0.01186226 -0.00275910
-4.45583942 -4.31083989 -13.69082159
-0.00075056 0.00027024 -0.00003214
0.00444770 0.01315296 0.00141012
-2.07696562 -2.29293951 -13.36035798
-0.00020886 -0.00027407 0.00005040
-0.01524480 -0.00847518 -0.00753020
16.07744145 -7.33227505 -14.76180216
0.00037764 -0.00048284 0.00003354
0.00472027 -0.01197887 -0.01200435
17.26764574 -7.42625338 -11.92866929
0.00022856 0.00042142 0.00048201
-0.01067548 0.01038983 -0.01023749
9.17696861 -4.24061172 5.41885950
-0.00016987 0.00021479 0.00121085
0.01448802 -0.00508662 0.00292267
12.17353688 -4.26616413 5.85030877
-0.00014525 0.00127924 -0.00068530
0.02274534 0.00694744 -0.02596612
-20.96519916 -0.21352414 24.72434131
-0.00019906 -0.00123573 0.00056925
-0.01397663 0.00047605 0.00265263
-20.10480841 2.66023780 25.20194356
0.00018542 -0.00032156 -0.00031598
-0.01071404 -0.00110726 0.00415852
24.68249857 -2.38495917 -6.97373885
0.00067378 0.00035792 0.00036549
0.01100063 -0.00898807 -0.00377711
24.02571494 -0.62734483 -9.31839746
-0.00023756 0.00013543 0.00017684
0.00102097 -0.00007983 0.02656579
12.38708103 -10.09055606 -9.58028362
0.00014266 0.00079891 0.00115958
-0.00012084 0.00792592 -0.00002429
12.54427905 -8.50403966 -12.06093368
0.00067091 0.00013880 -0.00010839
-0.00067438 -0.00504386 0.00287309
-9.09900015 -9.23995903 18.37828576
0.00132461 -0.00065576 0.00018907
0.00280508 -0.01190546 -0.01578149
-11.43833778 -9.42143649 16.88660186
-0.00049729 0.00083159 0.00048171
-0.04186504 0.00633185 0.00436147
8.55505386 0.23734659 -30.03100447
0.00070486 0.00003653 0.00064015
-0.00557242 0.00846362 0.01193131
5.68011384 0.40736606 -29.22743403
-0.00051062 -0.00105323 -0.00030816
-0.01531029 0.00412250 -0.00753601
12.56923445 19.67677235 12.43954141
0.00024013 0.00032744 -0.00009666
-0.00167712 -0.03100141 0.00230158
13.31397242 17.57913784 10.57980103
-0.00084771 0.00064559 -0.00126101
-0.00392771 -0.00120001 0.01352597
27.85544871 7.71569487 -11.58683798
0.00014791 -0.00007351 -0.00012252
-0.02203858 -0.00335161 0.00690102
25.73189396 7.15934064 -9.38898706
-0.00001803 0.00013620 -0.00033613
0.01364366 0.00982773 0.00659137
-7.01293143 4.53655790 6.65424723
0.00025524 -0.00012600 -0.00011563
-0.00159738 -0.00234842 -0.00598726
-8.85383017 8.68862351 3.87965771
0.00019615 -0.00014162 -0.00000223
-0.00634250 -0.00457088 -0.00346198
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07987476
0.30209167
402.52200110
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3126173991 (a.u.)
total exchange computation time: 3.0785670280 s
-153.6965571453
-931.38144401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3126614333 (a.u.)
total exchange computation time: 3.0778229237 s
-153.6972545306
Anderson extrapolation: theta=1.3727756074 (1.3727756074)
-931.38171320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3127018074 (a.u.)
total exchange computation time: 3.0773699284 s
-153.6984928830
Anderson extrapolation: theta=0.0617513139 (0.0617513139)
-931.38187953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3126847567 (a.u.)
total exchange computation time: 3.0779159069 s
-153.6988818496
Anderson extrapolation: theta=2.1531575224 (2.0000000000)
-931.38188771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3126473350 (a.u.)
total exchange computation time: 3.0825049877 s
-153.6997136819
Anderson extrapolation: theta=0.3133260896 (0.3133260896)
-931.38189780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3126427445 (a.u.)
total exchange computation time: 3.0794091225 s
-153.6999181079
Anderson extrapolation: theta=1.3270281349 (1.3270281349)
-931.38190021
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3126540484 (a.u.)
total exchange computation time: 3.0788340569 s
-153.7000230746
Anderson extrapolation: theta=0.3989467458 (0.3989467458)
-931.38190243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3126751828 (a.u.)
total exchange computation time: 3.0789310932 s
-153.6999047945
Anderson extrapolation: theta=1.0018974724 (1.0018974724)
-931.38190311
29.826892 66.829445 -295.993924
545.188743 1080.825799 -416.559523
575.015635 1147.655244 -712.553447
1468.158014
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0646075581
ExchangeOperator: pair fraction: ispin=0: 0.1642184965
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3127075763 (a.u.)
total exchange computation time: 3.0826380253 s
677.94421556
-1081.78044656
89.88833853
-390.45152039
-174.66978305
77.18146016
551.60419304
0.00000000
-931.38190350
3.51882752 -31.17693054 -3.85372070
-0.00028717 0.00050713 0.00003877
0.00717210 0.00720602 0.02673785
-11.20560373 2.13640187 -9.36339702
-0.00004233 -0.00022760 -0.00008827
0.02084956 0.01593405 -0.02312710
-36.89923338 2.01851464 3.99812778
0.00053223 0.00025704 0.00009999
-0.03140862 -0.03235351 0.01936240
-7.72518216 -3.64855175 2.88556555
-0.00009223 -0.00011573 -0.00028937
-0.02037940 -0.01689584 -0.00599713
2.39027879 -0.01226705 9.66067488
0.00013582 0.00017022 -0.00012518
-0.02756740 0.02458504 0.00485067
-31.30185710 1.39642384 3.49177532
-0.00021831 -0.00001912 0.00004102
-0.03274587 0.02203412 0.00984894
16.53322851 13.19522118 -17.66997896
0.00026464 0.00014600 0.00011955
-0.01982602 0.00383556 -0.01417198
-3.35476809 4.86479124 3.99067340
-0.00026210 -0.00013855 -0.00061715
-0.00172987 0.00836122 -0.02500545
4.83123673 17.34591217 -6.68309010
-0.00005808 -0.00003804 -0.00009360
0.03310458 0.01788514 -0.00658048
8.31028240 7.49936490 -21.28517027
0.00016167 0.00040317 -0.00010023
0.01054644 -0.00765309 0.00477529
20.01421198 18.81424952 -5.32288987
0.00060876 0.00018845 0.00002067
-0.00098264 0.04887961 0.00497755
2.02662703 14.64573620 -21.39850799
-0.00016253 -0.00017364 0.00006174
0.00186363 -0.00745668 0.00518501
10.56186603 -5.52116031 0.03138478
0.00006452 0.00002186 -0.00010089
-0.00072706 -0.00211789 0.00345327
-16.44303241 -5.58952072 4.76648351
0.00006806 -0.00012083 -0.00015781
-0.04151437 -0.00590397 0.00148510
-14.19492507 -1.51302589 20.76381082
-0.00000435 0.00019952 -0.00002113
-0.01761346 0.04055446 -0.04386462
0.61745516 3.64477617 -4.82771259
-0.00046661 0.00010153 -0.00012795
0.01411069 0.01676964 -0.01195861
20.77696314 -9.56958032 -4.31163288
-0.00053265 -0.00007299 -0.00023516
-0.03244720 -0.01581309 0.00873504
2.74246287 -10.85970715 6.74260300
-0.00007694 -0.00000769 -0.00002286
0.04488738 -0.00871597 0.02181377
-1.88272474 -1.80612501 -19.35058045
-0.00015896 0.00002641 0.00019019
-0.01193746 -0.03529926 -0.03903653
-0.62384197 5.28842709 -11.30562004
-0.00029258 0.00030608 -0.00005562
0.02828116 0.00748480 -0.00255126
-4.88068411 15.49253998 13.78073944
0.00000011 0.00003199 0.00059071
0.02257698 0.03473071 0.02305888
-4.97904916 3.17078056 -8.08615296
-0.00000181 0.00025836 -0.00019259
-0.00030604 -0.01149992 0.01959448
-8.54252630 0.03986772 -4.30150148
0.00020850 -0.00016624 0.00034341
0.01856438 -0.01703921 -0.01758624
3.04137595 27.71878486 5.64308629
0.00017858 -0.00036116 -0.00007358
-0.01505038 0.02998680 -0.03532048
8.62086488 -9.61711903 -2.09292590
-0.00006848 0.00000372 0.00003375
0.01214340 0.01863510 -0.00437863
-6.24431809 1.34847785 10.04258817
0.00011156 -0.00017321 0.00021125
0.03351613 -0.02338401 -0.02503364
19.81168426 9.54200517 5.88792555
0.00034769 0.00004003 -0.00026705
0.02862723 0.01805656 0.02483582
-3.37808740 0.56377731 -24.26236535
0.00000625 -0.00014318 0.00002264
-0.06100860 -0.00780577 -0.08227446
-13.65536563 8.48608801 9.41763643
-0.00009285 0.00012991 -0.00017591
-0.00965642 0.00678198 -0.01692459
-13.67596085 5.69458606 -3.95393259
0.00030062 -0.00010400 -0.00011524
-0.01237217 0.04562724 0.01561794
-3.77972720 -15.06688162 21.29393553
-0.00000474 -0.00002656 0.00011266
0.00079813 0.00329519 -0.00152880
-6.38445362 8.63477085 -6.41011059
-0.00014086 0.00009281 0.00028320
-0.01010980 -0.02464894 0.00014357
-19.72807675 30.45935958 1.33683906
0.00001525 0.00037963 0.00020260
-0.02771413 0.00683245 0.01177262
10.25356212 3.75519947 8.10176950
-0.00020168 0.00022433 -0.00016904
-0.01482126 -0.06253895 -0.03088963
7.35025938 16.51359776 -11.68711946
-0.00029374 0.00000447 0.00022641
0.00098422 0.02643529 0.00215554
14.07691941 4.36630747 -0.47756786
0.00006143 -0.00027068 0.00025582
-0.01431596 0.02641606 -0.01691030
-5.85894601 11.88127862 -1.29851151
-0.00020012 -0.00006116 -0.00014268
0.00750006 -0.02126223 0.00994436
8.40682184 11.26173930 4.92155696
0.00016560 -0.00047051 0.00000776
0.01377448 -0.03594679 0.01128673
19.89222991 -11.18992363 -10.64300796
0.00004097 0.00000255 -0.00026329
0.00024138 0.03127866 -0.03231352
19.26970380 -5.75394510 -0.14824924
0.00010051 0.00024648 0.00017087
-0.00800026 -0.02783409 0.02964470
15.86402224 7.55167967 9.63878128
-0.00021057 -0.00006744 0.00012301
-0.01205656 0.02477270 0.00274315
3.76292555 -14.63279031 16.58980612
-0.00019820 -0.00006582 0.00005173
0.00560534 0.01660443 0.00324410
-3.77731882 -2.52902023 -14.07513723
-0.00022929 0.00019420 -0.00042203
0.02491637 0.02222334 0.00708095
16.28093632 -6.41348161 -13.16821677
-0.00002245 0.00018790 0.00010760
-0.00460902 -0.02672649 0.00802769
10.58422774 -4.52319998 6.59770360
-0.00009751 -0.00025082 0.00037099
-0.02650120 -0.00131387 0.02186882
-19.61730879 0.91061454 25.20785958
-0.00016290 0.00035064 0.00025488
0.01986803 -0.00892865 -0.00010769
23.99614205 -0.74463424 -7.39769337
-0.00017428 0.00001044 0.00001703
-0.00638562 0.01149980 -0.03439794
11.52689377 -9.73688032 -11.16651932
-0.00002539 -0.00004164 0.00010996
0.00813513 -0.00119463 0.00659478
-9.76470000 -9.92337471 16.78015088
-0.00003000 0.00010849 0.00028907
0.03757029 0.00505576 0.00680495
7.32642250 0.01078627 -28.63587575
-0.00005146 -0.00039437 -0.00012136
0.02111973 -0.00546918 0.00294252
12.59461559 17.78590127 12.28846781
0.00001364 0.00007538 0.00017096
0.00925887 0.04119816 -0.01774959
25.99178181 7.54729647 -11.16065859
0.00012430 0.00026717 0.00002106
0.01312525 0.00123637 -0.00903601
4.05861578 -29.74029416 -4.85386056
0.00092445 -0.00034486 0.00013053
0.00266869 0.00548639 -0.01303253
3.27663660 -30.40595475 -2.11441783
-0.00027621 0.00018292 -0.00071315
-0.00277242 -0.01454684 -0.01411607
-9.53076915 2.89355338 -8.89808305
-0.00036114 -0.00096338 -0.00030484
-0.02867706 -0.01246638 -0.00446471
-11.64552562 2.81725995 -11.14203685
0.00003658 0.00046142 0.00006446
0.00886535 -0.01100212 0.02479408
-36.79257016 3.48159601 2.98537382
-0.00029048 0.00014818 -0.00002558
-0.00379963 0.02374250 -0.01180563
-38.80353673 1.53373726 4.05885219
0.00010483 -0.00000291 0.00047829
0.03939611 0.00861092 -0.00705726
-9.15431253 -4.59750291 2.05165515
0.00032120 -0.00125534 0.00071040
0.00786208 0.01512842 0.00034392
-6.36717908 -4.82303317 2.59786384
-0.00030164 -0.00037971 0.00000493
0.00641350 -0.00035569 0.00474445
3.37310414 -1.20350185 8.82494700
0.00024989 -0.00024902 -0.00107308
0.02484454 -0.02831378 -0.01684790
1.56387900 0.88356312 8.27338112
-0.00015270 -0.00066546 0.00059099
0.00341441 0.00175943 0.01040843
-30.76754359 -0.27975486 3.68796487
0.00071942 0.00000800 -0.00071782
0.02177240 -0.03740619 -0.00299812
-33.14569296 1.18096689 3.75264456
0.00059712 -0.00046769 0.00094472
0.01502482 0.01117035 -0.00577349
15.26796705 12.09800239 -18.66697630
-0.00085176 -0.00005701 -0.00011669
0.03412256 0.01588154 0.02861747
18.05067978 12.19095020 -17.29346856
0.00030097 -0.00095705 -0.00028218
-0.01281139 -0.00755610 -0.00921149
-2.48132989 6.21620825 4.87758624
0.00106013 -0.00037156 -0.00000573
-0.00398951 0.00011881 0.00345306
-3.64185254 5.71795019 2.32578277
0.00055321 -0.00049237 -0.00031189
0.00431937 -0.01562766 0.02151032
6.00828009 17.31461877 -8.24004830
0.00070547 0.00117718 -0.00092991
-0.02330566 -0.00184622 0.02712280
5.62143372 18.58082779 -5.47602394
-0.00005079 -0.00108743 -0.00021741
-0.00476056 -0.02206389 -0.02393751
9.01319850 6.42567557 -22.61625861
-0.00041988 0.00008783 -0.00054598
-0.00810594 0.00676002 -0.00110795
9.64740291 7.70620286 -19.98964911
-0.00082656 0.00111650 -0.00032554
-0.00962023 0.00188499 -0.01028125
19.59778533 20.46327988 -4.36093146
-0.00047651 -0.00018444 -0.00018032
0.00262489 -0.03706480 -0.00804961
21.24860672 19.61441516 -6.47748909
0.00052139 -0.00090503 0.00037095
-0.00597533 -0.01041108 0.00668587
1.62081144 13.10531308 -20.53018124
0.00001725 0.00052596 0.00077273
0.01701301 -0.01194653 0.01034653
0.31474562 15.02320206 -21.84929903
0.00024769 -0.00004386 0.00018542
-0.01884771 0.02437201 -0.01147534
9.75516226 -7.10326415 -0.50758079
0.00040358 0.00094781 0.00009598
0.00410785 0.00243495 0.00050278
9.29918878 -4.22883224 -0.34300006
0.00076516 -0.00013164 0.00020214
0.00636796 0.00247476 0.00159219
-17.12147255 -6.52218336 6.22409575
0.00013348 0.00012816 0.00023251
0.01089192 0.00903466 -0.00535544
-18.06062940 -5.30531402 3.81940277
0.00053310 0.00002095 -0.00049241
0.03000591 -0.00506694 0.00500544
-14.22575314 -0.87256057 18.90092976
0.00023047 -0.00003784 -0.00029065
0.00088470 -0.01661217 0.04031500
-15.18669511 -0.17573639 21.59870732
-0.00011696 -0.00033120 -0.00004477
0.01027437 -0.01696443 -0.00061117
-0.16260287 2.95211736 -3.36838921
-0.00048849 -0.00069763 0.00049188
-0.00914153 -0.01430276 0.00628478
1.21757385 2.29019049 -5.92759474
0.00054964 -0.00040498 0.00053414
-0.00722397 -0.00340386 0.01216458
20.22988282 -8.99115345 -5.90644845
0.00060781 0.00064183 -0.00092479
-0.01650941 0.00854727 -0.01732841
22.50438208 -9.17713222 -4.36828774
-0.00004756 0.00084756 -0.00085582
0.03977055 0.00385296 0.00648892
4.66977148 -11.22440441 6.44893333
-0.00014904 -0.00013100 -0.00055281
-0.06228614 0.00452931 0.01118346
2.38368295 -11.23504168 8.57749532
-0.00017621 0.00060671 0.00074443
0.01676009 0.00416447 -0.03141053
-2.63875208 -3.36117550 -20.29205893
0.00008330 -0.00116174 0.00032558
0.02446681 0.03217080 0.01774652
-2.96653386 -1.64723267 -17.93530834
-0.00067243 -0.00078086 0.00000132
-0.00722932 0.00441810 0.01982335
1.26740428 5.69237375 -11.32252594
0.00105343 -0.00010955 0.00085332
-0.03624194 -0.00754550 0.00203022
-1.03665470 4.47872660 -9.71987272
0.00030247 0.00103058 -0.00078299
-0.00107879 0.00084007 -0.00044890
-4.00137889 17.01537739 14.67506322
0.00062786 0.00091982 0.00011972
-0.02141556 -0.03729453 -0.01521236
-6.60146407 16.08306088 13.48063977
-0.00000415 -0.00000146 -0.00053977
0.00250297 0.00120221 0.00688569
-5.23243907 2.09478944 -6.60823336
0.00055033 0.00017093 -0.00040590
0.00241319 0.00955527 -0.00900043
-5.27761722 2.03300654 -9.57636806
0.00044802 -0.00015573 -0.00070462
-0.00279058 0.01623050 0.00746746
-9.24046111 -1.63640385 -4.38720587
0.00047387 0.00062042 0.00025920
0.00280951 -0.00492084 -0.00148779
-9.51651525 0.79671276 -3.03404644
-0.00005788 -0.00137406 -0.00010655
-0.01575363 0.02204394 0.02438238
2.33339799 29.11409147 4.52102106
-0.00021533 0.00042650 -0.00024923
0.02341670 -0.02994944 0.01089954
2.10461123 28.07317733 7.12367598
-0.00074382 -0.00058297 -0.00059891
-0.00478871 -0.00317151 0.02226337
6.93713179 -9.64892606 -2.74348212
-0.00162145 0.00089419 0.00105017
-0.01605017 -0.00774361 0.00104820
8.98465158 -11.05170349 -1.07179505
-0.00021729 -0.00076805 -0.00061354
-0.00734117 -0.01945940 0.00683065
-5.19777593 -0.19506229 9.36027450
0.00104674 -0.00005610 -0.00115658
-0.02521205 0.01591449 0.00274649
-8.00672062 1.04367443 9.93478666
-0.00026966 0.00083978 0.00000055
-0.01509829 -0.00994284 -0.00058538
19.00440728 9.72886809 7.60261233
-0.00052716 0.00008839 -0.00048166
0.02072583 -0.00756997 -0.02432454
21.66717590 10.06642687 5.99665176
-0.00056944 -0.00080086 -0.00012645
-0.03656282 -0.00748592 0.00500427
-3.23325909 0.63544901 -22.54637216
-0.00096907 -0.00009065 0.00007007
0.00670331 -0.00369566 0.06783439
-5.30347482 0.31452097 -24.65930857
0.00031452 -0.00038357 -0.00029507
0.04954069 0.01030622 0.01156998
-12.80931641 9.56501034 10.63286752
0.00017039 0.00016230 -0.00036226
0.00301741 0.00331282 -0.00945613
-13.80018126 9.51557916 7.80601275
-0.00069673 -0.00034917 -0.00013084
0.00649943 -0.00988951 0.02100504
-13.59617653 4.17512284 -4.80722694
0.00076450 -0.00098960 -0.00009643
0.00330415 -0.04073735 -0.02442642
-15.14463310 6.59600049 -4.69538909
-0.00055451 -0.00018344 0.00111597
0.01045714 -0.00788636 0.00759073
-5.35816597 -15.95700730 20.97751580
0.00020887 0.00056764 -0.00014576
-0.01101459 -0.00926852 0.00848511
-2.97885999 -15.21500151 19.68196731
0.00010938 0.00074007 0.00043100
0.00910930 0.00258660 -0.00922232
-6.53504944 6.78481275 -6.59747903
0.00012587 0.00038416 -0.00001547
0.00550389 0.01695286 -0.00027923
-8.01452879 9.17910407 -5.70178845
-0.00126413 -0.00026742 -0.00101505
0.01138737 0.00301552 -0.00684534
-21.02470447 30.86174981 0.12358246
0.00006567 -0.00067983 0.00052376
0.00564972 -0.00356369 -0.00170382
-18.13474841 30.30190582 0.55194788
-0.00016082 -0.00081423 -0.00120553
0.02147914 -0.00076809 -0.01126414
8.87638724 3.01632216 6.89946025
0.00006757 0.00007124 0.00055915
0.03114730 0.01666919 0.02172007
9.71132583 5.38009369 8.49879344
-0.00047642 0.00040534 0.00039910
-0.01559687 0.04799302 0.00818768
8.54371922 17.80227487 -12.32548643
0.00014630 -0.00010542 -0.00023624
-0.01479519 -0.00946165 0.00061224
8.56805927 15.20875895 -11.43563646
-0.00020851 -0.00023686 -0.00038609
0.00624738 -0.01942790 0.00645417
12.90839699 5.78432282 0.01939196
0.00103966 -0.00012844 0.00027385
0.02744041 -0.03229038 0.00272483
14.26899423 3.14944358 0.89033363
-0.00086004 -0.00065802 0.00138355
-0.01375192 0.00859880 0.00851977
-4.69361656 11.87268583 -2.66931941
-0.00096817 0.00128140 0.00085012
0.01130368 0.01989937 -0.02575677
-5.29840470 10.12022266 -0.88848887
-0.00017967 0.00010452 -0.00055231
-0.01579393 0.01161929 0.01512618
7.82379983 12.90550021 4.73255589
0.00067004 -0.00143259 -0.00014908
-0.00907882 0.04369414 -0.00765903
10.23643645 11.22842603 4.56018705
-0.00026566 -0.00047926 0.00011621
-0.00882905 -0.00365350 0.00160875
19.14084753 -10.86225842 -9.08611608
0.00101513 0.00101381 -0.00040465
-0.02196221 0.01353772 0.03112600
20.55225422 -12.79038054 -10.39156955
0.00006735 -0.00050039 0.00057182
0.02232612 -0.04808423 -0.00099746
19.13742905 -4.92755688 -1.71952362
0.00081249 -0.00031414 0.00009455
-0.00074860 0.00443259 -0.02836260
18.26991822 -7.35792939 -0.19960515
0.00006033 0.00002218 0.00001004
0.00473606 0.01448434 -0.00427383
14.77732064 9.03284752 9.28689143
-0.00075241 -0.00074277 -0.00012108
0.01133012 -0.01851482 0.00476849
16.61768903 7.89247600 11.28109629
-0.00010452 0.00031587 -0.00032165
-0.00539344 -0.00262400 -0.00551900
2.85652611 -15.93789736 17.53441873
0.00037112 -0.00129313 -0.00050940
-0.00853509 0.00344562 -0.00574651
3.24882479 -12.93026913 17.14804358
-0.00008856 0.00095193 -0.00055336
0.00353270 -0.01766345 -0.00320177
-4.46696153 -4.30638317 -13.69126043
-0.00073264 0.00032376 -0.00002657
0.00432504 0.01304386 0.00131355
-2.08056560 -2.29731033 -13.35983278
-0.00027233 -0.00030856 0.00001872
-0.01582565 -0.00840510 -0.00797336
16.08325074 -7.33988477 -14.76166694
0.00039748 -0.00052921 -0.00001195
0.00499231 -0.01071943 -0.01026424
17.27074700 -7.41961364 -11.92175288
0.00018353 0.00046528 0.00043881
-0.01136663 0.01107841 -0.01091056
9.17486448 -4.23754570 5.43711187
-0.00011630 0.00019490 0.00121873
0.01173706 -0.00465006 0.00093385
12.17205515 -4.24676263 5.83923363
-0.00006330 0.00130598 -0.00078521
0.01737035 0.00614396 -0.02294026
-20.96861338 -0.23204550 24.73296137
-0.00024651 -0.00122327 0.00058377
-0.00924966 0.00562207 0.00445413
-20.10235541 2.65538050 25.19733126
0.00013710 -0.00031528 -0.00029936
-0.01294107 0.00418040 0.00397888
24.69294240 -2.37986582 -6.96837229
0.00071798 0.00032225 0.00034904
0.01063497 -0.00847178 -0.00427211
24.02218287 -0.62531590 -9.31493086
-0.00023304 0.00013461 0.00028355
0.00118960 -0.00032073 0.02567188
12.38921727 -10.07832957 -9.56289072
0.00013643 0.00083287 0.00114966
-0.00292965 0.00869900 -0.00483091
12.55432209 -8.50211217 -12.06247148
0.00066298 0.00011225 -0.00009254
-0.00320691 -0.00795193 0.00488398
-9.07904502 -9.25016027 18.38063820
0.00133335 -0.00070434 0.00012328
0.00147270 -0.01187188 -0.01642360
-11.44707999 -9.40876855 16.89396119
-0.00065309 0.00085410 0.00050066
-0.03440307 0.00468323 0.00491463
8.56545604 0.23815385 -30.02103661
0.00068094 0.00007145 0.00068701
-0.00613667 0.00863114 0.01100487
5.67198532 0.39169393 -29.23228733
-0.00056640 -0.00103747 -0.00033782
-0.01199434 0.00359388 -0.00698514
12.57278496 19.68073404 12.43816207
0.00023305 0.00019914 -0.00008640
-0.00178660 -0.03180233 0.00271843
13.30113639 17.58878499 10.56130034
-0.00086797 0.00064079 -0.00119438
-0.00598787 -0.00115209 0.01909130
27.85699209 7.71448953 -11.58846432
0.00005831 -0.00008708 -0.00009421
-0.02182470 -0.00329194 0.00695627
25.73204156 7.16168481 -9.39382700
0.00003779 0.00017577 -0.00030428
0.01368034 0.00954067 0.00899736
-7.00910719 4.53466164 6.65249677
0.00025467 -0.00012681 -0.00011776
-0.00153397 -0.00219117 -0.00591584
-8.85089903 8.68649122 3.87961823
0.00019470 -0.00014263 -0.00000303
-0.00612605 -0.00415155 -0.00339701
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07969008
0.30221342
402.68423302
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3090386027 (a.u.)
total exchange computation time: 3.0585038662 s
-153.6803782799
-931.38298340
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3090641810 (a.u.)
total exchange computation time: 3.0593938828 s
-153.6809928047
Anderson extrapolation: theta=1.3525962492 (1.3525962492)
-931.38323760
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3090434707 (a.u.)
total exchange computation time: 3.0584089756 s
-153.6822851512
Anderson extrapolation: theta=0.0538155486 (0.0538155486)
-931.38338977
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3089943892 (a.u.)
total exchange computation time: 3.0578289032 s
-153.6828049595
Anderson extrapolation: theta=1.9906985439 (1.9906985439)
-931.38339580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.3088802445 (a.u.)
total exchange computation time: 3.0606739521 s
-153.6839541606
Anderson extrapolation: theta=0.2273284132 (0.2273284132)
-931.38340245
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3088510758 (a.u.)
total exchange computation time: 3.0582530499 s
-153.6842188616
Anderson extrapolation: theta=1.8427362016 (1.8427362016)
-931.38340380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3088132708 (a.u.)
total exchange computation time: 3.0576431751 s
-153.6845508352
Anderson extrapolation: theta=0.2815529656 (0.2815529656)
-931.38340547
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3088185072 (a.u.)
total exchange computation time: 3.0568389893 s
-153.6844955527
Anderson extrapolation: theta=1.3250665713 (1.3250665713)
-931.38340588
29.897951 66.705768 -251.647932
545.168230 1080.830606 -416.571778
575.066181 1147.536375 -668.219710
1447.086185
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633531639
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3088365844 (a.u.)
total exchange computation time: 3.0587508678 s
677.88652744
-1081.65299243
89.89155706
-390.53917698
-174.66048470
77.11191375
551.60419304
0.00000000
-931.38340621
3.51454763 -31.16929573 -3.85303602
-0.00028350 0.00050988 0.00005178
0.00711769 0.00346227 0.02387129
-11.20615823 2.13304936 -9.36481034
-0.00003251 -0.00021974 -0.00010049
0.01733910 0.01463033 -0.02437105
-36.89137102 2.02224544 3.99970238
0.00051553 0.00024024 0.00010995
-0.03354663 -0.03297611 0.01933747
-7.72664422 -3.65035287 2.88120189
-0.00010254 -0.00012449 -0.00029229
-0.01972120 -0.01718921 -0.00537538
2.39220976 -0.00961897 9.65881594
0.00012363 0.00018053 -0.00012261
-0.01984911 0.01551923 0.00511782
-31.30525804 1.39622202 3.49242868
-0.00023375 -0.00000838 0.00004616
-0.02730889 0.01973658 0.01011081
16.53712164 13.19742599 -17.66824039
0.00025446 0.00014696 0.00011196
-0.01974833 -0.00009280 -0.01534930
-3.35870622 4.86274519 3.98131966
-0.00026206 -0.00013377 -0.00062839
0.00188054 0.01022684 -0.01869145
4.83049324 17.34541061 -6.68451946
-0.00004072 -0.00002949 -0.00009873
0.03438115 0.01536662 -0.01339240
8.31274810 7.50538298 -21.28665526
0.00016599 0.00039898 -0.00009907
0.00626648 -0.00863926 -0.00028541
20.02333954 18.81726485 -5.32256062
0.00060726 0.00021252 0.00002384
-0.00485518 0.04472323 0.00736689
2.02419635 14.64310289 -21.39756195
-0.00016082 -0.00017709 0.00006433
0.00477119 -0.00597925 0.00491406
10.56283098 -5.52084052 0.02988469
0.00006564 0.00002141 -0.00009841
0.00509363 0.00033717 0.00619294
-16.44217161 -5.59135600 4.76412202
0.00004715 -0.00012395 -0.00015669
-0.03979979 -0.00621905 0.00289306
-14.19505829 -1.50987660 20.76332462
-0.00001296 0.00021974 -0.00004400
-0.01587029 0.03807842 -0.04506401
0.61051041 3.64636381 -4.82967800
-0.00045993 0.00010894 -0.00013288
0.01189165 0.01203331 -0.00720410
20.76884827 -9.57073623 -4.31512661
-0.00054770 -0.00008018 -0.00023203
-0.02608484 -0.01213469 0.00346056
2.74148197 -10.85985606 6.74234423
-0.00005419 -0.00001222 -0.00001100
0.04356487 -0.00891259 0.02430951
-1.88515519 -1.80586509 -19.34787822
-0.00016556 0.00000760 0.00017014
-0.01373819 -0.03783515 -0.03893560
-0.62812160 5.29304719 -11.30646413
-0.00027591 0.00031110 -0.00005856
0.03653639 0.01203315 -0.00887950
-4.88059543 15.49315386 13.78968906
0.00001184 0.00005039 0.00060260
0.02305716 0.03682387 0.02317768
-4.97907743 3.17461167 -8.08896626
-0.00000197 0.00025226 -0.00018339
-0.00034311 -0.01221966 0.01618191
-8.53932723 0.03730840 -4.29641813
0.00021924 -0.00017421 0.00033357
0.02322514 -0.01395179 -0.02070503
3.04399662 27.71348307 5.64184634
0.00017039 -0.00034492 -0.00009213
-0.01681699 0.03317689 -0.03682478
8.61988451 -9.61699140 -2.09243661
-0.00006434 0.00001287 0.00003094
0.00396314 0.01697624 -0.00652132
-6.24251545 1.34578955 10.04566033
0.00012874 -0.00018557 0.00019805
0.03329171 -0.02470856 -0.02629299
19.81701002 9.54267528 5.88401567
0.00036066 0.00004878 -0.00025432
0.02180860 0.01598004 0.02466450
-3.37822900 0.56159946 -24.26234307
-0.00002469 -0.00014722 -0.00001915
-0.05929651 -0.00787672 -0.08024887
-13.65679567 8.48806276 9.41493252
-0.00009784 0.00013307 -0.00018424
-0.00972860 0.00554128 -0.01548069
-13.67149924 5.69320211 -3.95560102
0.00029432 -0.00008236 -0.00010809
-0.01215254 0.03851295 0.01221575
-3.77979517 -15.06726738 21.29561952
-0.00000396 -0.00002442 0.00011249
0.00220838 0.00504400 0.00086020
-6.38660555 8.63606794 -6.40586203
-0.00014667 0.00008084 0.00028351
-0.01247641 -0.02190216 0.00104842
-19.72795488 30.46508033 1.33992347
0.00000311 0.00038289 0.00020853
-0.01948473 0.00583944 0.01129273
10.25047978 3.75832314 8.09911481
-0.00020906 0.00019352 -0.00018407
-0.01388487 -0.05725405 -0.02758796
7.34585714 16.51376676 -11.68371494
-0.00029259 0.00001817 0.00022737
0.00347095 0.02682870 0.00154983
14.07778560 4.36234919 -0.47379576
0.00005475 -0.00025884 0.00024839
-0.01164724 0.01963256 -0.01198237
-5.86191894 11.88027925 -1.30061330
-0.00019806 -0.00007171 -0.00013565
0.00052424 -0.01977457 0.01736374
8.40935890 11.25454292 4.92171690
0.00017278 -0.00049117 0.00001395
0.01414920 -0.04436686 0.01278723
19.89284534 -11.18976471 -10.64708197
0.00004203 0.00001681 -0.00028031
0.00391174 0.02415401 -0.03386119
19.27118061 -5.75035525 -0.14557182
0.00009620 0.00023169 0.00018643
-0.00877054 -0.02968419 0.03084253
15.86081713 7.55076367 9.64063703
-0.00021681 -0.00005516 0.00012390
-0.01220098 0.02296404 0.00070027
3.75997411 -14.63371350 16.59059452
-0.00019544 -0.00005668 0.00005361
0.00515575 0.01891118 0.00406678
-3.78066207 -2.52602148 -14.08144037
-0.00021644 0.00020566 -0.00041831
0.02504220 0.02234106 0.00740118
16.28058178 -6.41076616 -13.16657175
-0.00002473 0.00017371 0.00011128
-0.00426510 -0.02847208 0.00628038
10.58266284 -4.52696729 6.60335285
-0.00010871 -0.00025133 0.00038185
-0.01704762 -0.00069695 0.02033895
-19.61967569 0.91583974 25.21168237
-0.00015332 0.00034336 0.00025447
0.01739444 -0.01939884 -0.00150646
23.99350329 -0.74443326 -7.39757058
-0.00017735 0.00001614 -0.00000012
-0.00555853 0.01065474 -0.03228030
11.52654429 -9.73750947 -11.16484441
-0.00001996 -0.00004173 0.00011407
0.01298404 0.00082899 0.00935932
-9.76500504 -9.92172784 16.78451316
-0.00001258 0.00011152 0.00029240
0.03017407 0.00671025 0.00614495
7.32573200 0.00484961 -28.63768486
-0.00004145 -0.00039706 -0.00011982
0.01782620 -0.00498001 0.00305224
12.59485590 17.78719086 12.29096379
0.00001885 0.00009654 0.00016045
0.01101891 0.04109141 -0.02312066
25.99369699 7.55130877 -11.16037761
0.00013088 0.00026782 0.00001598
0.01243386 0.00129473 -0.01072009
4.07256434 -29.74529902 -4.85230192
0.00093639 -0.00031843 0.00007449
0.00317661 0.00745351 -0.01439969
3.27240854 -30.40365667 -2.12554758
-0.00028880 0.00012712 -0.00076261
-0.00339325 -0.01277110 -0.01009520
-9.53706507 2.87872065 -8.90279250
-0.00047048 -0.00101048 -0.00032023
-0.02484111 -0.01058927 -0.00306535
-11.64470519 2.82384418 -11.14031015
0.00007217 0.00041534 0.00016581
0.00855395 -0.01155903 0.02481430
-36.79704382 3.48454627 2.98462836
-0.00030542 0.00024517 -0.00007372
-0.00351472 0.02373572 -0.01175996
-38.80075708 1.53395754 4.06581024
0.00026879 0.00003305 0.00044907
0.04086296 0.00899129 -0.00724591
-9.14925364 -4.61586949 2.06232169
0.00035021 -0.00119270 0.00071006
0.00633786 0.01553796 -0.00050986
-6.37150721 -4.82873976 2.59808316
-0.00027371 -0.00038080 0.00002487
0.00725943 -0.00017633 0.00501858
3.37761374 -1.20810476 8.80833460
0.00034162 -0.00035288 -0.00113316
0.02006007 -0.02252704 -0.01256545
1.56169312 0.87363519 8.28256498
-0.00014471 -0.00065142 0.00062418
0.00049734 0.00511194 0.00583631
-30.75608514 -0.28078110 3.67710571
0.00080659 -0.00013972 -0.00073114
0.02089754 -0.03490520 -0.00352403
-33.13627579 1.17429377 3.76663841
0.00064941 -0.00042268 0.00092173
0.01057023 0.01086334 -0.00548128
15.25623623 12.09763395 -18.66784978
-0.00070741 0.00001142 0.00000404
0.03653899 0.01761535 0.03048175
18.05480177 12.17636297 -17.29798354
0.00024348 -0.00098362 -0.00032087
-0.01533204 -0.00545265 -0.00972611
-2.46555023 6.21063849 4.87760613
0.00103752 -0.00037901 0.00000192
-0.00707599 -0.00376624 0.00028878
-3.63342202 5.71008569 2.32176359
0.00056931 -0.00055212 -0.00023020
0.00355888 -0.01361756 0.01847578
6.01814797 17.33221989 -8.25316586
0.00060427 0.00116751 -0.00081257
-0.02623183 -0.00288507 0.03031794
5.62052595 18.56384017 -5.48001864
-0.00006657 -0.00117057 -0.00030796
-0.00296107 -0.01863315 -0.02038863
9.00665184 6.42720015 -22.62448227
-0.00045228 0.00011757 -0.00054669
-0.00775272 0.00779805 0.00075842
9.63470965 7.72300808 -19.99484719
-0.00085778 0.00112348 -0.00036190
-0.00566114 0.00153379 -0.00752119
19.59071811 20.45937754 -4.36388297
-0.00046404 -0.00033344 -0.00021328
0.00348134 -0.03587263 -0.00808182
21.25624448 19.60052066 -6.47171991
0.00050288 -0.00094196 0.00039333
-0.00308493 -0.00766630 0.00426943
1.62159154 13.11283646 -20.51827325
0.00008561 0.00047360 0.00081684
0.01644712 -0.01368597 0.01124375
0.31788349 15.02329103 -21.84686935
0.00016605 0.00005617 0.00013745
-0.02111954 0.02459178 -0.01200611
9.76134182 -7.08897244 -0.50612564
0.00041476 0.00094544 0.00009439
0.00136729 -0.00359264 -0.00128247
9.31086129 -4.23073104 -0.33991923
0.00078477 -0.00011475 0.00020685
0.00323177 0.00579577 0.00071640
-17.11913652 -6.51998415 6.22741935
0.00017777 0.00016591 0.00020826
0.01078844 0.00944675 -0.00651802
-18.05171345 -5.30515509 3.81217002
0.00065248 0.00000007 -0.00047242
0.02843254 -0.00515159 0.00478002
-14.22226901 -0.87363716 18.89780533
0.00023312 -0.00010516 -0.00012490
0.00041541 -0.01634530 0.04082427
-15.18813472 -0.18122428 21.59801702
-0.00007749 -0.00039641 -0.00004571
0.00904707 -0.01495488 0.00015158
-0.17021028 2.94121466 -3.36081848
-0.00051972 -0.00074958 0.00050628
-0.00615011 -0.01113055 0.00076598
1.22559711 2.28401155 -5.91920992
0.00051871 -0.00041561 0.00058506
-0.00791829 -0.00180246 0.01276338
20.23849403 -8.98126405 -5.92085126
0.00054059 0.00067314 -0.00098710
-0.01639306 0.00677795 -0.01317338
22.50488743 -9.16430076 -4.38092617
0.00010186 0.00085950 -0.00082639
0.03336807 0.00199432 0.00791827
4.66562720 -11.22623067 6.44098392
-0.00040274 -0.00011257 -0.00050572
-0.06190241 0.00449355 0.01186368
2.38155337 -11.22581339 8.58769920
-0.00010595 0.00062418 0.00060932
0.01763304 0.00438742 -0.03472409
-2.63675284 -3.37761585 -20.28663141
0.00018541 -0.00102555 0.00039884
0.02551832 0.03449699 0.01811390
-2.97684185 -1.65881022 -17.93468116
-0.00069991 -0.00076220 0.00008100
-0.00622108 0.00471479 0.01918122
1.28209521 5.69049931 -11.30966394
0.00089460 -0.00014105 0.00085838
-0.04150769 -0.00787321 0.00044473
-1.03215072 4.49421104 -9.73163134
0.00029231 0.00102562 -0.00076947
-0.00389340 -0.00326838 0.00706971
-3.99261725 17.02803190 14.67639293
0.00053677 0.00076324 0.00005608
-0.02317184 -0.03935349 -0.01593970
-6.60144969 16.08307578 13.47275429
0.00000854 0.00000366 -0.00051051
0.00371333 0.00130700 0.00743312
-5.22411016 2.09764613 -6.61459763
0.00055968 0.00020834 -0.00044002
0.00216398 0.00875690 -0.00770333
-5.27098245 2.03116799 -9.58670850
0.00043682 -0.00008596 -0.00066965
-0.00268928 0.01791843 0.00964930
-9.23326690 -1.62724832 -4.38336351
0.00048143 0.00058659 0.00025072
0.00088824 -0.01163940 -0.00266338
-9.51786619 0.77677741 -3.03489749
-0.00012814 -0.00127707 0.00000194
-0.01863784 0.02543345 0.02872361
2.33088556 29.11957123 4.51761661
-0.00011608 0.00029851 -0.00020124
0.02516823 -0.03270475 0.01259309
2.09330714 28.06433564 7.11537450
-0.00076315 -0.00059672 -0.00050806
-0.00466985 -0.00356336 0.02220910
6.91231818 -9.63575045 -2.72769747
-0.00166971 0.00086245 0.00106050
-0.00757320 -0.00779606 0.00400853
8.98116730 -11.06382049 -1.08078891
-0.00024802 -0.00084395 -0.00058777
-0.00770174 -0.01769556 0.00578393
-5.18284738 -0.19541613 9.34300998
0.00093897 0.00001090 -0.00114291
-0.02754361 0.01688121 0.00394217
-8.01122824 1.05596651 9.93477700
-0.00032633 0.00079881 -0.00000210
-0.01264014 -0.01011491 -0.00071194
18.99713495 9.72996198 7.59464198
-0.00044083 0.00005714 -0.00058178
0.02153519 -0.00772712 -0.02468243
21.65751384 10.05418457 5.99490832
-0.00070697 -0.00082712 -0.00010458
-0.03075538 -0.00536784 0.00570469
-3.24758972 0.63397595 -22.54324241
-0.00094185 -0.00010569 0.00034435
0.00661845 -0.00366588 0.06642604
-5.29723888 0.30908329 -24.66338013
0.00051377 -0.00034102 -0.00024873
0.04798923 0.01051961 0.01111601
-12.80666804 9.56754633 10.62714383
0.00018274 0.00017606 -0.00040112
0.00302635 0.00342292 -0.00956367
-13.81043304 9.51003851 7.80469382
-0.00066963 -0.00038758 -0.00004736
0.00676399 -0.00890951 0.01986071
-13.58460779 4.15903051 -4.80942185
0.00077563 -0.00113903 -0.00018773
0.00214380 -0.03240735 -0.02026918
-15.15263026 6.59300716 -4.67841700
-0.00051031 -0.00021783 0.00114531
0.01117923 -0.00894546 0.00677437
-5.35537050 -15.94877674 20.97558945
0.00015953 0.00052664 -0.00011228
-0.01313482 -0.01079948 0.00790191
-2.97694023 -15.20382113 19.68814966
0.00014834 0.00075015 0.00038926
0.00996323 0.00234418 -0.01120741
-6.53299272 6.79109460 -6.59771959
0.00014824 0.00044870 -0.00001713
0.00544735 0.01464279 -0.00053463
-8.03314177 9.17518513 -5.71722393
-0.00121265 -0.00025605 -0.00104413
0.01380976 0.00255040 -0.00738968
-21.02354636 30.85144312 0.13138662
0.00008180 -0.00069259 0.00051179
0.00224726 -0.00268202 -0.00415533
-18.13650247 30.28966883 0.53351969
-0.00008296 -0.00081693 -0.00124541
0.01662956 -0.00055489 -0.00825440
8.87835526 3.01790154 6.90851307
0.00019090 0.00013801 0.00064399
0.02922347 0.01601378 0.01981079
9.70370155 5.38764447 8.50503089
-0.00053747 0.00059262 0.00043019
-0.01428464 0.04368148 0.00702766
8.54546030 17.80040359 -12.32901125
0.00008309 -0.00014634 -0.00023202
-0.01614419 -0.01056665 0.00145428
8.56512303 15.20461066 -11.44123001
-0.00018508 -0.00031447 -0.00035978
0.00522182 -0.01856033 0.00642162
12.92483279 5.78140674 0.02358315
0.00114638 -0.00025499 0.00028606
0.02479762 -0.02965501 0.00325410
14.25567229 3.13983677 0.91134799
-0.00091695 -0.00061412 0.00140711
-0.01410609 0.01288933 0.00301312
-4.70779267 11.89251667 -2.65735686
-0.00090884 0.00136264 0.00072897
0.01773489 0.01986475 -0.03354725
-5.30158380 10.12214645 -0.89631007
-0.00024316 0.00014908 -0.00049017
-0.01528316 0.01019437 0.01529620
7.83357226 12.88535034 4.73008494
0.00062576 -0.00123594 -0.00018261
-0.01259994 0.05256664 -0.00875021
10.23218102 11.22112522 4.56197945
-0.00029559 -0.00049495 0.00012176
-0.00582107 -0.00402606 0.00110767
19.15540145 -10.84663640 -9.09123197
0.00092354 0.00107071 -0.00027283
-0.02287250 0.01431570 0.03339962
20.55394862 -12.79935980 -10.38302281
0.00015284 -0.00068409 0.00056604
0.01952003 -0.04184069 -0.00183396
19.14959351 -4.93213317 -1.71897450
0.00080945 -0.00029415 -0.00002426
-0.00074308 0.00535130 -0.02979702
18.27096837 -7.35715290 -0.19958553
0.00008102 0.00008326 -0.00000674
0.00538977 0.01541704 -0.00393728
14.76638161 9.02113866 9.28522134
-0.00070744 -0.00081564 -0.00010171
0.01068417 -0.01715828 0.00471268
16.61595598 7.89713360 11.27610241
-0.00012486 0.00030614 -0.00034008
-0.00456423 -0.00213513 -0.00350048
2.86183136 -15.95718876 17.52660157
0.00033580 -0.00127356 -0.00053330
-0.00875345 0.00613446 -0.00594784
3.24760461 -12.91653150 17.13964505
-0.00007338 0.00086917 -0.00056691
0.00389882 -0.02284596 -0.00343120
-4.47781857 -4.30112705 -13.69161876
-0.00071531 0.00037661 -0.00002142
0.00415632 0.01282574 0.00120815
-2.08513548 -2.30219626 -13.35979623
-0.00033704 -0.00034253 -0.00001428
-0.01584924 -0.00822519 -0.00818416
16.08936599 -7.34815144 -14.76216078
0.00041845 -0.00057008 -0.00004980
0.00527107 -0.00928326 -0.00826329
17.27315165 -7.41229495 -11.91550514
0.00013624 0.00051131 0.00039345
-0.01178021 0.01145288 -0.01129347
9.17347967 -4.23476467 5.45542148
-0.00007461 0.00017695 0.00121813
0.00867100 -0.00413730 -0.00122935
12.17163798 -4.22698459 5.82675256
-0.00000502 0.00132872 -0.00087159
0.01115592 0.00498681 -0.01934669
-20.97259448 -0.25022230 24.74185440
-0.00027496 -0.00118986 0.00060540
-0.00467767 0.01073563 0.00613339
-20.10069552 2.65077940 25.19296281
0.00007989 -0.00028755 -0.00028353
-0.01506185 0.00939499 0.00376988
24.70403800 -2.37529168 -6.96326755
0.00076025 0.00028949 0.00033037
0.01005688 -0.00756616 -0.00486890
24.01872370 -0.62330662 -9.30989092
-0.00022785 0.00013291 0.00038528
0.00135161 -0.00051125 0.02412575
12.39117397 -10.06556996 -9.54579389
0.00011912 0.00086960 0.00112079
-0.00554647 0.00928233 -0.00930208
12.56416859 -8.50067203 -12.06370996
0.00064512 0.00007443 -0.00006896
-0.00553993 -0.01056541 0.00665975
-9.05899963 -9.26108911 18.38198410
0.00133679 -0.00075227 0.00005597
0.00020990 -0.01158983 -0.01652521
-11.45793062 -9.39581359 16.90162172
-0.00077614 0.00086899 0.00052190
-0.02582858 0.00260528 0.00548187
8.57548213 0.23949008 -30.01039430
0.00065502 0.00010704 0.00072966
-0.00655399 0.00879228 0.00987353
5.66312171 0.37624205 -29.23756873
-0.00060760 -0.00102398 -0.00036486
-0.00817290 0.00300729 -0.00624932
12.57622598 19.68274668 12.43694934
0.00022553 0.00006929 -0.00007432
-0.00189730 -0.03175999 0.00319726
13.28793340 17.59836153 10.54396968
-0.00089594 0.00063595 -0.00110627
-0.00770335 -0.00121769 0.02403613
27.85719792 7.71308245 -11.58966433
-0.00002959 -0.00010033 -0.00006589
-0.02120107 -0.00319518 0.00690671
25.73302757 7.16461369 -9.39811553
0.00009368 0.00021418 -0.00026296
0.01367869 0.00926048 0.01123242
-7.00529119 4.53275362 6.65071454
0.00025413 -0.00012756 -0.00011986
-0.00149637 -0.00202420 -0.00584349
-8.84798922 8.68434449 3.87956693
0.00019330 -0.00014355 -0.00000381
-0.00589392 -0.00376221 -0.00332311
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07965842
0.30374779
404.72870445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3063801375 (a.u.)
total exchange computation time: 2.9587841034 s
-153.6716361272
-931.38572937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3064586928 (a.u.)
total exchange computation time: 2.9586229324 s
-153.6718605563
Anderson extrapolation: theta=1.3514967546 (1.3514967546)
-931.38597279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3065104149 (a.u.)
total exchange computation time: 2.9606981277 s
-153.6726489748
Anderson extrapolation: theta=0.0520980954 (0.0520980954)
-931.38611786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3064654911 (a.u.)
total exchange computation time: 2.9598479271 s
-153.6731560963
Anderson extrapolation: theta=1.9448686904 (1.9448686904)
-931.38612331
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3063601991 (a.u.)
total exchange computation time: 2.9623050690 s
-153.6742730524
Anderson extrapolation: theta=0.2240018791 (0.2240018791)
-931.38612915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3063312271 (a.u.)
total exchange computation time: 2.9625260830 s
-153.6745447244
Anderson extrapolation: theta=1.8759665544 (1.8759665544)
-931.38613030
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3062901761 (a.u.)
total exchange computation time: 2.9614341259 s
-153.6749148627
Anderson extrapolation: theta=0.2846648095 (0.2846648095)
-931.38613171
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3062919810 (a.u.)
total exchange computation time: 2.9600460529 s
-153.6748850009
Anderson extrapolation: theta=1.3043229865 (1.3043229865)
-931.38613204
29.997173 66.601741 -251.651940
545.147802 1080.833695 -416.581064
575.144975 1147.435436 -668.233003
1447.043596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3063037886 (a.u.)
total exchange computation time: 2.9617791176 s
677.84542898
-1081.56273140
89.89332662
-390.60172148
-174.65413121
77.06301653
551.60419304
0.00000000
-931.38613226
3.51032265 -31.16163422 -3.85216718
-0.00027980 0.00051074 0.00006309
0.00725229 -0.00011653 0.02011023
-11.20657897 2.12980972 -9.36641168
-0.00002466 -0.00021267 -0.00011329
0.01318974 0.01285246 -0.02539340
-36.88376747 2.02572185 4.00142616
0.00049792 0.00022342 0.00011968
-0.03492813 -0.03244199 0.01851591
-7.72825842 -3.65228660 2.87679676
-0.00011244 -0.00013339 -0.00029487
-0.01875199 -0.01739337 -0.00464672
2.39398760 -0.00685116 9.65699647
0.00011557 0.00018600 -0.00011996
-0.01147487 0.00575184 0.00520736
-31.30886965 1.39617247 3.49316005
-0.00024612 0.00000085 0.00005141
-0.02077047 0.01613334 0.01031907
16.54086242 13.19963007 -17.66662023
0.00024444 0.00014605 0.00010388
-0.01921612 -0.00344687 -0.01606103
-3.36262985 4.86077803 3.97182173
-0.00026017 -0.00012819 -0.00063624
0.00548348 0.01147833 -0.01183744
4.83001500 17.34502761 -6.68605213
-0.00002296 -0.00002235 -0.00010733
0.03467966 0.01238707 -0.02005195
8.31526215 7.51133441 -21.28814244
0.00016800 0.00039429 -0.00010057
0.00155508 -0.00961643 -0.00552840
20.03242964 18.82062520 -5.32217453
0.00060373 0.00023427 0.00002824
-0.00885528 0.03986423 0.00974287
2.02180247 14.64042345 -21.39657799
-0.00015783 -0.00017983 0.00006677
0.00686918 -0.00465277 0.00457066
10.56383524 -5.52051813 0.02843237
0.00006980 0.00002226 -0.00009449
0.01108037 0.00298579 0.00904955
-16.44161784 -5.59323925 4.76178285
0.00002733 -0.00012721 -0.00015482
-0.03726789 -0.00645309 0.00438254
-14.19531395 -1.50643355 20.76249076
-0.00002060 0.00023854 -0.00006735
-0.01384134 0.03499968 -0.04572859
0.60365740 3.64804427 -4.83169898
-0.00045438 0.00011389 -0.00013533
0.00968614 0.00723600 -0.00230593
20.76053217 -9.57198576 -4.31859364
-0.00055931 -0.00008535 -0.00023174
-0.01906349 -0.00796447 -0.00236373
2.74083716 -10.86007372 6.74227300
-0.00003234 -0.00001676 0.00000199
0.04139017 -0.00873569 0.02619275
-1.88769163 -1.80589705 -19.34547637
-0.00017313 -0.00001231 0.00015041
-0.01568950 -0.03959331 -0.03778567
-0.63211936 5.29776013 -11.30737673
-0.00025528 0.00031840 -0.00006476
0.04367976 0.01633272 -0.01525640
-4.88032887 15.49405182 13.79881749
0.00002373 0.00006971 0.00061447
0.02316444 0.03827365 0.02295982
-4.97910836 3.17834850 -8.09165471
-0.00000212 0.00024593 -0.00017595
-0.00023972 -0.01242702 0.01275427
-8.53594898 0.03464145 -4.29149452
0.00023215 -0.00018037 0.00032240
0.02695309 -0.01000135 -0.02272942
3.04648755 27.70843724 5.64032230
0.00016127 -0.00032720 -0.00011112
-0.01864133 0.03574696 -0.03702545
8.61893470 -9.61673281 -2.09199762
-0.00006436 0.00002107 0.00002718
-0.00404502 0.01490972 -0.00810741
-6.24045598 1.34291063 10.04852964
0.00014554 -0.00019853 0.00018424
0.03203188 -0.02565473 -0.02742157
19.82250402 9.54346868 5.88029607
0.00036991 0.00005639 -0.00024185
0.01416889 0.01358210 0.02381701
-3.37882806 0.55936083 -24.26293989
-0.00005443 -0.00015121 -0.00005896
-0.05634199 -0.00763823 -0.07455249
-13.65830076 8.49008025 9.41210919
-0.00010283 0.00013554 -0.00019173
-0.00968260 0.00405212 -0.01364130
-13.66713139 5.69211527 -3.95717520
0.00028824 -0.00006470 -0.00010278
-0.01148836 0.03015114 0.00841808
-3.77984611 -15.06761421 21.29731016
-0.00000249 -0.00002145 0.00011343
0.00352764 0.00649873 0.00281578
-6.38885373 8.63719606 -6.40160539
-0.00015363 0.00007039 0.00028425
-0.01457830 -0.01874910 0.00182500
-19.72798333 30.47084614 1.34309500
-0.00000463 0.00038559 0.00021411
-0.01061491 0.00467919 0.01039194
10.24729032 3.76100512 8.09624729
-0.00021594 0.00016595 -0.00019718
-0.01288353 -0.04997764 -0.02336155
7.34148168 16.51414273 -11.68029846
-0.00029015 0.00003184 0.00022807
0.00602383 0.02634270 0.00117890
14.07856193 4.35854236 -0.47011610
0.00004954 -0.00025060 0.00024337
-0.00860715 0.01238836 -0.00754134
-5.86488783 11.87912734 -1.30258114
-0.00019947 -0.00008146 -0.00012501
-0.00601751 -0.01812535 0.02402528
8.41200511 11.24700427 4.92197549
0.00017989 -0.00051563 0.00002088
0.01349706 -0.05075745 0.01414426
19.89349094 -11.18941944 -10.65141720
0.00004492 0.00002715 -0.00029764
0.00732243 0.01606256 -0.03352739
19.27258976 -5.74699441 -0.14265645
0.00009152 0.00021619 0.00020230
-0.00940841 -0.03057784 0.03087388
15.85751788 7.55002482 9.64249819
-0.00022305 -0.00004395 0.00012373
-0.01206618 0.02062944 -0.00134851
3.75706245 -14.63449080 16.59141429
-0.00019285 -0.00004653 0.00005585
0.00488521 0.02057775 0.00465003
-3.78381212 -2.52285038 -14.08768643
-0.00020369 0.00021722 -0.00041449
0.02457039 0.02259571 0.00744859
16.28019434 -6.40827037 -13.16487827
-0.00002690 0.00015866 0.00011394
-0.00417791 -0.03006038 0.00405337
10.58096643 -4.53073997 6.60915900
-0.00011488 -0.00025147 0.00039184
-0.00695526 0.00017321 0.01852919
-19.62190840 0.92091528 25.21549355
-0.00014498 0.00033082 0.00025337
0.01505490 -0.02937680 -0.00276609
23.99082165 -0.74415008 -7.39769682
-0.00017994 0.00002130 -0.00001599
-0.00454445 0.00941127 -0.02943293
11.52629498 -9.73813222 -11.16309731
-0.00001217 -0.00004082 0.00011955
0.01732474 0.00269992 0.01196105
-9.76507730 -9.92002920 16.78892285
0.00000085 0.00011542 0.00029532
0.02205473 0.00845474 0.00521712
7.32517901 -0.00112547 -28.63947042
-0.00003326 -0.00039950 -0.00011823
0.01403965 -0.00449894 0.00315677
12.59518120 17.78879747 12.29328140
0.00002488 0.00011746 0.00014734
0.01243140 0.04027461 -0.02787849
25.99570809 7.55533105 -11.16017933
0.00013699 0.00026848 0.00001012
0.01134544 0.00128527 -0.01206180
4.08670758 -29.74984707 -4.85162578
0.00095012 -0.00028486 0.00001362
0.00354482 0.00897907 -0.01539805
3.26797251 -30.40214128 -2.13729602
-0.00030407 0.00007923 -0.00079447
-0.00407850 -0.01067144 -0.00550329
-9.54488341 2.86323895 -8.90768981
-0.00056247 -0.00104926 -0.00032942
-0.02019103 -0.00839582 -0.00143776
-11.64336053 2.82972001 -11.13706268
0.00010620 0.00036737 0.00026632
0.00810562 -0.01191820 0.02438915
-36.80173288 3.48895119 2.98316218
-0.00031929 0.00034014 -0.00012028
-0.00327321 0.02275151 -0.01103296
-38.79547310 1.53472886 4.07232421
0.00043725 0.00007020 0.00041925
0.04159995 0.00919446 -0.00735013
-9.14380634 -4.63328382 2.07295699
0.00037260 -0.00112880 0.00070601
0.00462519 0.01573809 -0.00147417
-6.37539043 -4.83445716 2.59861006
-0.00024260 -0.00038094 0.00004593
0.00796860 0.00010974 0.00528660
3.38335276 -1.21408828 8.79095210
0.00041277 -0.00043174 -0.00117480
0.01476964 -0.01607278 -0.00781416
1.55953772 0.86402054 8.29210653
-0.00014900 -0.00062354 0.00063808
-0.00259958 0.00853705 0.00096547
-30.74334595 -0.28394656 3.66603056
0.00088885 -0.00027414 -0.00074687
0.01937052 -0.03089425 -0.00417175
-33.12621080 1.16828643 3.78029633
0.00068252 -0.00037930 0.00090028
0.00564208 0.01037387 -0.00501859
15.24674475 12.09834509 -18.66685515
-0.00055473 0.00008586 0.00013115
0.03819668 0.01882238 0.03174118
18.05798412 12.16144157 -17.30309459
0.00017629 -0.00100165 -0.00036140
-0.01755922 -0.00337070 -0.01011719
-2.45020422 6.20483791 4.87764372
0.00100248 -0.00040179 -0.00000312
-0.01007745 -0.00738542 -0.00275458
-3.62477338 5.70138662 2.31887672
0.00058214 -0.00060296 -0.00016237
0.00272584 -0.01127015 0.01472666
6.02640821 17.34964419 -8.26442536
0.00049234 0.00115347 -0.00068377
-0.02856112 -0.00398775 0.03273138
5.61943671 18.54571059 -5.48526288
-0.00007414 -0.00123853 -0.00038269
-0.00074759 -0.01463295 -0.01618967
8.99963004 6.42920263 -22.63265944
-0.00048294 0.00015125 -0.00054013
-0.00725492 0.00869162 0.00245670
9.62166945 7.73990731 -20.00050622
-0.00087217 0.00112928 -0.00038626
-0.00138167 0.00130588 -0.00440078
19.58386425 20.45327671 -4.36732977
-0.00044837 -0.00047626 -0.00024577
0.00418635 -0.03403866 -0.00782425
21.26369318 19.58615633 -6.46568907
0.00049677 -0.00096738 0.00040532
0.00009100 -0.00477655 0.00159998
1.62337963 13.11952108 -20.50567618
0.00015153 0.00041512 0.00086405
0.01582379 -0.01493960 0.01186821
0.31972703 15.02488714 -21.84517548
0.00007686 0.00015636 0.00008801
-0.02253816 0.02445333 -0.01219579
9.76760519 -7.07490092 -0.50474909
0.00041443 0.00091801 0.00008529
-0.00152917 -0.00983604 -0.00317083
9.32273187 -4.23227465 -0.33679449
0.00079148 -0.00008419 0.00020796
0.00005427 0.00916235 -0.00017289
-17.11613931 -6.51720598 6.23034348
0.00022127 0.00020492 0.00017992
0.01050240 0.00964947 -0.00735259
-18.04105497 -5.30531188 3.80523021
0.00076403 -0.00002092 -0.00045416
0.02617291 -0.00512131 0.00415690
-14.21875943 -0.87571549 18.89718286
0.00023387 -0.00017085 0.00004135
-0.00004842 -0.01580976 0.04055472
-15.18901986 -0.18762870 21.59733602
-0.00004365 -0.00045264 -0.00004303
0.00751721 -0.01256805 0.00115904
-0.17819461 2.92962982 -3.35320080
-0.00053888 -0.00078835 0.00049820
-0.00322741 -0.00784468 -0.00472285
1.23313508 2.27772214 -5.91004289
0.00048504 -0.00041988 0.00063805
-0.00856334 -0.00028857 0.01317302
20.24610057 -8.97095924 -5.93606142
0.00047435 0.00069676 -0.00103126
-0.01603341 0.00478507 -0.00844286
22.50743778 -9.15134708 -4.39307932
0.00022321 0.00086329 -0.00079117
0.02603413 -0.00014177 0.00931814
4.65768915 -11.22778153 6.43376159
-0.00065248 -0.00009466 -0.00045636
-0.06034486 0.00427302 0.01230108
2.38050446 -11.21631621 8.59577498
-0.00003265 0.00064219 0.00046250
0.01824704 0.00442948 -0.03714549
-2.63318968 -3.39194201 -20.28009375
0.00029098 -0.00088123 0.00047278
0.02615928 0.03615069 0.01808088
-2.98753111 -1.67009882 -17.93287843
-0.00072223 -0.00074250 0.00015668
-0.00470304 0.00493036 0.01786683
1.29424229 5.68814235 -11.29677467
0.00071652 -0.00017339 0.00085694
-0.04566241 -0.00795772 -0.00114938
-1.02788536 4.50949517 -9.74295668
0.00027066 0.00100385 -0.00072500
-0.00670373 -0.00738813 0.01469869
-3.98527572 17.03827459 14.67674576
0.00043940 0.00059964 -0.00000974
-0.02449096 -0.04073068 -0.01628191
-6.60120773 16.08317077 13.46532434
0.00002611 0.00000915 -0.00047904
0.00488368 0.00137748 0.00797245
-5.21564862 2.10103950 -6.62143401
0.00056790 0.00024192 -0.00046812
0.00185966 0.00768375 -0.00605243
-5.26451250 2.03042760 -9.59645758
0.00042593 -0.00000988 -0.00062638
-0.00264527 0.01932390 0.01153220
-9.22601827 -1.61880612 -4.37968439
0.00048107 0.00052538 0.00023740
-0.00106557 -0.01832473 -0.00385690
-9.52035937 0.75840079 -3.03398819
-0.00020828 -0.00116803 0.00012559
-0.02059198 0.02794218 0.03180435
2.32991560 29.12304664 4.51498395
-0.00001060 0.00016089 -0.00014744
0.02646417 -0.03466136 0.01374285
2.08171686 28.05527558 7.10843414
-0.00078101 -0.00061233 -0.00041902
-0.00407535 -0.00407320 0.02137866
6.88704044 -9.62305264 -2.71166715
-0.00168350 0.00083031 0.00108239
0.00082537 -0.00793590 0.00670527
8.97721101 -11.07702197 -1.08942829
-0.00028038 -0.00091155 -0.00056692
-0.00814142 -0.01539741 0.00442372
-5.16960687 -0.19473538 9.32598707
0.00082260 0.00008099 -0.00112470
-0.02941950 0.01742836 0.00497422
-8.01651051 1.06763869 9.93472371
-0.00037174 0.00075741 -0.00000515
-0.00958820 -0.01014938 -0.00077965
18.99118243 9.73058230 7.58515894
-0.00035194 0.00002541 -0.00068199
0.02197719 -0.00780484 -0.02437218
21.64596690 10.04161329 5.99351449
-0.00081835 -0.00084420 -0.00007977
-0.02376590 -0.00299217 0.00643633
-3.26151472 0.63227822 -22.53604167
-0.00091541 -0.00012092 0.00060576
0.00632712 -0.00378643 0.06153616
-5.28806186 0.30429032 -24.66677043
0.00070458 -0.00029790 -0.00020468
0.04541507 0.01058734 0.01044406
-12.80383420 9.57029209 10.62083401
0.00019518 0.00019024 -0.00044027
0.00306167 0.00352044 -0.00960328
-13.82027028 9.50395183 7.80459209
-0.00064166 -0.00042145 0.00003041
0.00692874 -0.00767153 0.01820684
-13.57290767 4.14095206 -4.81285898
0.00078174 -0.00125216 -0.00026088
0.00084788 -0.02297392 -0.01553413
-15.15994229 6.58946561 -4.66102973
-0.00046375 -0.00025614 0.00117102
0.01161263 -0.00980873 0.00580925
-5.35338003 -15.94120804 20.97414737
0.00010235 0.00047985 -0.00008120
-0.01485514 -0.01210408 0.00731276
-2.97440985 -15.19249708 19.69364514
0.00019018 0.00075932 0.00034035
0.01051865 0.00214330 -0.01273405
-6.53060216 6.79827385 -6.59799291
0.00017028 0.00050278 -0.00001993
0.00534025 0.01182610 -0.00083485
-8.05090841 9.17142250 -5.73311229
-0.00115177 -0.00024644 -0.00107508
0.01599474 0.00215639 -0.00776046
-21.02225051 30.84097205 0.13893612
0.00008387 -0.00070182 0.00048975
-0.00123188 -0.00183403 -0.00663106
-18.13723736 30.27739784 0.51458561
-0.00002614 -0.00081834 -0.00127205
0.01118738 -0.00013593 -0.00478460
8.88211427 3.02046234 6.91878003
0.00030507 0.00020134 0.00072009
0.02666434 0.01498812 0.01744086
9.69520182 5.39787232 8.51169903
-0.00059195 0.00075888 0.00045564
-0.01238728 0.03770544 0.00543116
8.54621196 17.79788472 -12.33244694
0.00001512 -0.00019103 -0.00022469
-0.01712746 -0.01131120 0.00213293
8.56250681 15.19932488 -11.44642999
-0.00016673 -0.00038742 -0.00033380
0.00376011 -0.01715045 0.00629959
12.94278834 5.77667321 0.02797378
0.00124104 -0.00036898 0.00030085
0.02153985 -0.02614333 0.00398619
14.24148585 3.13101989 0.93254701
-0.00097488 -0.00055353 0.00140872
-0.01425238 0.01677311 -0.00222776
-4.72088188 11.91356495 -2.64745029
-0.00082448 0.00144376 0.00057784
0.02356111 0.01984334 -0.04043170
-5.30569954 10.12469502 -0.90319382
-0.00030416 0.00018741 -0.00042759
-0.01457464 0.00856980 0.01533456
7.84257249 12.86842207 4.72707772
0.00056863 -0.00100726 -0.00022019
-0.01536503 0.05937360 -0.00964893
10.22756885 11.21357766 4.56383973
-0.00031266 -0.00051210 0.00012514
-0.00253863 -0.00436930 0.00055034
19.16855360 -10.83013702 -9.09430092
0.00083006 0.00112974 -0.00013525
-0.02288273 0.01457795 0.03394747
20.55683934 -12.81090331 -10.37458846
0.00022554 -0.00083922 0.00055640
0.01606623 -0.03409490 -0.00288091
19.16171242 -4.93638150 -1.72025154
0.00080667 -0.00027164 -0.00014654
-0.00061513 0.00567183 -0.03005856
18.27234883 -7.35543156 -0.19980721
0.00010392 0.00014732 -0.00002212
0.00582060 0.01594060 -0.00359476
14.75609738 9.00837823 9.28384007
-0.00066588 -0.00088199 -0.00008285
0.00966035 -0.01531940 0.00451798
16.61394321 7.90166034 11.27089399
-0.00014163 0.00029853 -0.00034995
-0.00364211 -0.00159082 -0.00133417
2.86660015 -15.97610420 17.51841988
0.00029968 -0.00124301 -0.00055803
-0.00892599 0.00882209 -0.00616157
3.24662337 -12.90419402 17.13103624
-0.00005710 0.00076677 -0.00058095
0.00406966 -0.02728004 -0.00344297
-4.48842089 -4.29508488 -13.69190305
-0.00069891 0.00042835 -0.00001665
0.00387299 0.01249998 0.00112957
-2.09067669 -2.30758628 -13.36026126
-0.00040065 -0.00037556 -0.00004765
-0.01529179 -0.00794438 -0.00815034
16.09580428 -7.35698704 -14.76316105
0.00044054 -0.00060480 -0.00007911
0.00554049 -0.00771612 -0.00608137
17.27483433 -7.40427435 -11.90994953
0.00008784 0.00055822 0.00034712
-0.01191332 0.01151139 -0.01138258
9.17262627 -4.23223720 5.47365575
-0.00004590 0.00016122 0.00120850
0.00538156 -0.00356259 -0.00348665
12.17190452 -4.20690094 5.81308582
0.00002696 0.00134611 -0.00094248
0.00450048 0.00352351 -0.01535255
-20.97686226 -0.26774115 24.75112332
-0.00028538 -0.00113596 0.00063350
-0.00042174 0.01564859 0.00762473
-20.09995872 2.64675409 25.18882540
0.00001438 -0.00023920 -0.00026859
-0.01700662 0.01427282 0.00354100
24.71574996 -2.37118124 -6.95846120
0.00079974 0.00026114 0.00030909
0.00927440 -0.00631052 -0.00554961
24.01534737 -0.62132868 -9.30337240
-0.00022202 0.00013056 0.00047937
0.00150398 -0.00063978 0.02193241
12.39279074 -10.05224146 -9.52926714
0.00009163 0.00090830 0.00107458
-0.00791010 0.00966211 -0.01331520
12.57367557 -8.49987939 -12.06454028
0.00061822 0.00002662 -0.00003867
-0.00762735 -0.01283644 0.00816616
-9.03894138 -9.27272823 18.38231724
0.00133538 -0.00079868 -0.00001089
-0.00089716 -0.01113126 -0.01620218
-11.47036419 -9.38269896 16.90961821
-0.00086292 0.00087480 0.00054538
-0.01664854 0.00023945 0.00601261
8.58510654 0.24136516 -29.99914688
0.00062768 0.00014328 0.00076732
-0.00682569 0.00894571 0.00856345
5.65375721 0.36097448 -29.24323312
-0.00063250 -0.00101291 -0.00038862
-0.00401226 0.00241222 -0.00538358
12.57955072 19.68281287 12.43593255
0.00021755 -0.00005865 -0.00006015
-0.00200810 -0.03086806 0.00373923
13.27425829 17.60786344 10.52811210
-0.00093019 0.00063063 -0.00099941
-0.00906362 -0.00138794 0.02827339
27.85610442 7.71147955 -11.59044106
-0.00011411 -0.00011312 -0.00003799
-0.02017191 -0.00306413 0.00675155
25.73485190 7.16811011 -9.40171567
0.00014951 0.00025149 -0.00021303
0.01364913 0.00900549 0.01320516
-7.00148322 4.53083473 6.64890095
0.00025360 -0.00012826 -0.00012194
-0.00148681 -0.00185761 -0.00577228
-8.84509992 8.68218465 3.87950405
0.00019196 -0.00014439 -0.00000457
-0.00564082 -0.00341906 -0.00322560
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07975020
0.30638207
408.23874231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3050119689 (a.u.)
total exchange computation time: 2.9598920345 s
-153.6690488450
-931.38910879
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3051464888 (a.u.)
total exchange computation time: 2.9598641396 s
-153.6688781726
Anderson extrapolation: theta=1.3503547040 (1.3503547040)
-931.38934087
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3052787261 (a.u.)
total exchange computation time: 2.9593999386 s
-153.6691380055
Anderson extrapolation: theta=0.0518640947 (0.0518640947)
-931.38947876
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3052423886 (a.u.)
total exchange computation time: 2.9597461224 s
-153.6696146180
Anderson extrapolation: theta=1.9405146872 (1.9405146872)
-931.38948385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.782 s
total exchange = -52.3051565872 (a.u.)
total exchange computation time: 2.9594449997 s
-153.6706645828
Anderson extrapolation: theta=0.2223166568 (0.2223166568)
-931.38948919
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3051339711 (a.u.)
total exchange computation time: 2.9628789425 s
-153.6709161341
Anderson extrapolation: theta=1.8683337445 (1.8683337445)
-931.38949022
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3051052630 (a.u.)
total exchange computation time: 2.9642689228 s
-153.6712492505
Anderson extrapolation: theta=0.2813199647 (0.2813199647)
-931.38949142
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3051104712 (a.u.)
total exchange computation time: 2.9627709389 s
-153.6712122391
Anderson extrapolation: theta=1.2985144122 (1.2985144122)
-931.38949168
30.050574 66.508530 -251.650419
545.127021 1080.835845 -416.587327
575.177595 1147.344375 -668.237746
1446.986546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1624445646
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3051260957 (a.u.)
total exchange computation time: 2.9610860348 s
677.82522168
-1081.51625845
89.89273910
-390.63483781
-174.65123027
77.03783922
551.60419304
0.00000000
-931.38949185
3.50615362 -31.15397360 -3.85114320
-0.00027598 0.00050982 0.00007223
0.00759895 -0.00346947 0.01542442
-11.20689795 2.12666924 -9.36820891
-0.00001910 -0.00020664 -0.00012654
0.00841143 0.01058388 -0.02613242
-36.87643338 2.02894798 4.00329279
0.00047980 0.00020716 0.00012879
-0.03555360 -0.03076673 0.01690979
-7.73001728 -3.65435451 2.87235579
-0.00012175 -0.00014236 -0.00029705
-0.01745349 -0.01749228 -0.00381695
2.39567692 -0.00403898 9.65521718
0.00011189 0.00018639 -0.00011728
-0.00283131 -0.00424471 0.00520448
-31.31264150 1.39624739 3.49397102
-0.00025487 0.00000794 0.00005674
-0.01326481 0.01146620 0.01040280
16.54445496 13.20180757 -17.66512398
0.00023480 0.00014356 0.00009555
-0.01829099 -0.00624938 -0.01633864
-3.36651118 4.85889943 3.96223247
-0.00025644 -0.00012214 -0.00064045
0.00898360 0.01206234 -0.00453088
4.82980430 17.34474016 -6.68773950
-0.00000530 -0.00001686 -0.00011932
0.03401102 0.00895265 -0.02656179
8.31778820 7.51721166 -21.28967228
0.00016750 0.00038910 -0.00010478
-0.00350361 -0.01055267 -0.01083680
20.04145143 18.82429309 -5.32171329
0.00059814 0.00025334 0.00003384
-0.01287504 0.03427433 0.01200940
2.01946158 14.63770812 -21.39555877
-0.00015399 -0.00018192 0.00006902
0.00805893 -0.00350306 0.00417323
10.56492497 -5.52017271 0.02704986
0.00007703 0.00002450 -0.00008910
0.01703826 0.00572674 0.01191532
-16.44135159 -5.59517228 4.75947748
0.00000904 -0.00013056 -0.00015216
-0.03387890 -0.00659478 0.00593702
-14.19567638 -1.50272049 20.76130412
-0.00002713 0.00025559 -0.00009087
-0.01153946 0.03131566 -0.04575159
0.59687912 3.64978057 -4.83373776
-0.00044992 0.00011642 -0.00013527
0.00762444 0.00258683 0.00252664
20.75206900 -9.57329673 -4.32207890
-0.00056722 -0.00008829 -0.00023454
-0.01169809 -0.00346697 -0.00850499
2.74051166 -10.86035878 6.74240384
-0.00001186 -0.00002111 0.00001578
0.03824635 -0.00817507 0.02745026
-1.89034910 -1.80623446 -19.34336602
-0.00018173 -0.00003293 0.00013152
-0.01774068 -0.04059076 -0.03566007
-0.63578015 5.30259906 -11.30840702
-0.00023129 0.00032779 -0.00007418
0.04964767 0.02021777 -0.02134822
-4.87988361 15.49524506 13.80812304
0.00003557 0.00008960 0.00062613
0.02287829 0.03907105 0.02241120
-4.97914113 3.18198947 -8.09424478
-0.00000219 0.00023962 -0.00017027
-0.00001082 -0.01211331 0.00932663
-8.53236279 0.03189735 -4.28674626
0.00024665 -0.00018431 0.00031053
0.02942856 -0.00533789 -0.02339879
3.04883468 27.70366719 5.63851261
0.00015121 -0.00030832 -0.00012990
-0.02049167 0.03766153 -0.03597667
8.61795369 -9.61635919 -2.09162119
-0.00006839 0.00002811 0.00002276
-0.01161521 0.01245740 -0.00906810
-6.23814938 1.33983379 10.05118741
0.00016148 -0.00021190 0.00016986
0.02996729 -0.02637264 -0.02848274
19.82810733 9.54436687 5.87676022
0.00037502 0.00006267 -0.00023000
0.00568422 0.01085341 0.02225054
-3.37986178 0.55706328 -24.26411185
-0.00008232 -0.00015499 -0.00009499
-0.05213374 -0.00709639 -0.06554468
-13.65988055 8.49212901 9.40918062
-0.00010776 0.00013718 -0.00019817
-0.00950297 0.00231686 -0.01139001
-13.66285216 5.69126104 -3.95868445
0.00028260 -0.00005153 -0.00009946
-0.01042498 0.02105501 0.00450181
-3.77986983 -15.06791092 21.29902251
-0.00000037 -0.00001782 0.00011525
0.00471312 0.00762492 0.00424643
-6.39121438 8.63817954 -6.39733466
-0.00016158 0.00006165 0.00028535
-0.01634843 -0.01521949 0.00246755
-19.72809367 30.47664804 1.34634671
-0.00000775 0.00038767 0.00021912
-0.00152790 0.00339350 0.00908787
10.24400146 3.76330153 8.09319955
-0.00022225 0.00014254 -0.00020788
-0.01162108 -0.04104904 -0.01824585
7.33715269 16.51472192 -11.67687289
-0.00028640 0.00004504 0.00022863
0.00856792 0.02500253 0.00101543
14.07927186 4.35483110 -0.46649462
0.00004599 -0.00024619 0.00024048
-0.00521844 0.00476328 -0.00368290
-5.86790314 11.87783559 -1.30436363
-0.00020403 -0.00009030 -0.00011127
-0.01171726 -0.01625606 0.02940770
8.41475545 11.23907405 4.92234319
0.00018636 -0.00054269 0.00002844
0.01169336 -0.05445762 0.01526946
19.89419303 -11.18895026 -10.65601109
0.00004944 0.00003322 -0.00031430
0.01025081 0.00756417 -0.03126487
19.27392632 -5.74386946 -0.13950290
0.00008657 0.00020049 0.00021787
-0.00987416 -0.03048013 0.02966447
15.85412556 7.54944512 9.64434894
-0.00022914 -0.00003407 0.00012252
-0.01161741 0.01778980 -0.00334391
3.75418848 -14.63510935 16.59226993
-0.00019037 -0.00003570 0.00005833
0.00479020 0.02152035 0.00498848
-3.78677262 -2.51950496 -14.09387501
-0.00019128 0.00022883 -0.00041074
0.02366830 0.02257979 0.00714125
16.27977467 -6.40600649 -13.16315352
-0.00002909 0.00014284 0.00011535
-0.00433164 -0.03142355 0.00142610
10.57921636 -4.53451131 6.61510810
-0.00011581 -0.00025110 0.00040085
0.00334486 0.00125765 0.01651074
-19.62402496 0.92576419 25.21928338
-0.00013779 0.00031337 0.00025167
0.01288401 -0.03846061 -0.00384868
23.98810495 -0.74379430 -7.39805013
-0.00018198 0.00002572 -0.00003020
-0.00335176 0.00780008 -0.02584272
11.52617932 -9.73873415 -11.16125792
-0.00000229 -0.00003900 0.00012631
0.02107424 0.00438319 0.01433949
-9.76497941 -9.91826533 16.79337278
0.00001003 0.00012020 0.00029767
0.01364306 0.01016061 0.00391305
7.32473434 -0.00713526 -28.64123162
-0.00002710 -0.00040169 -0.00011657
0.00990616 -0.00404629 0.00329356
12.59560241 17.79071478 12.29538393
0.00003155 0.00013777 0.00013196
0.01350387 0.03869877 -0.03192072
25.99780672 7.55936325 -11.16007410
0.00014244 0.00026912 0.00000368
0.00983470 0.00119877 -0.01297526
4.10106807 -29.75384483 -4.85189333
0.00096497 -0.00024609 -0.00005047
0.00372368 0.00999882 -0.01597221
3.26328653 -30.40127991 -2.14938173
-0.00032225 0.00004051 -0.00080654
-0.00482235 -0.00827778 -0.00040426
-9.55393918 2.84724271 -8.91267524
-0.00063392 -0.00107850 -0.00033154
-0.01478334 -0.00591546 0.00040373
-11.64151911 2.83486541 -11.13232049
0.00013812 0.00031838 0.00036419
0.00751571 -0.01206309 0.02351556
-36.80662254 3.49475048 2.98101983
-0.00033220 0.00042921 -0.00016256
-0.00304730 0.02085107 -0.00966290
-38.78763961 1.53606367 4.07838773
0.00060725 0.00010782 0.00038919
0.04161889 0.00921670 -0.00736181
-9.13807557 -4.64973361 2.08350193
0.00038766 -0.00106453 0.00069782
0.00274607 0.01572536 -0.00253459
-6.37878529 -4.84016784 2.59946094
-0.00020890 -0.00037968 0.00006806
0.00852818 0.00050574 0.00554941
3.38999694 -1.22105683 8.77309071
0.00046193 -0.00048366 -0.00119662
0.00929185 -0.00934601 -0.00286861
1.55722300 0.85492910 8.30170724
-0.00016610 -0.00058176 0.00063183
-0.00576777 0.01191048 -0.00402136
-30.72941962 -0.28900540 3.65469975
0.00096365 -0.00038967 -0.00076535
0.01724309 -0.02565668 -0.00487823
-33.11580004 1.16291485 3.79364668
0.00069478 -0.00033827 0.00088105
0.00035551 0.00970786 -0.00439240
15.23959420 12.10020978 -18.66391522
-0.00039675 0.00016427 0.00026225
0.03913669 0.01956166 0.03243342
18.06009033 12.14631359 -17.30882568
0.00010069 -0.00101128 -0.00040327
-0.01944582 -0.00134633 -0.01037479
-2.43547582 6.19858471 4.87751249
0.00095553 -0.00043861 -0.00002019
-0.01290369 -0.01063732 -0.00560067
-3.61595769 5.69199684 2.31689240
0.00059148 -0.00064359 -0.00011121
0.00184378 -0.00861630 0.01031634
6.03291804 17.36682410 -8.27367887
0.00037204 0.00113487 -0.00054660
-0.03032389 -0.00512073 0.03441510
5.61830165 18.52668422 -5.49149933
-0.00007187 -0.00128911 -0.00043901
0.00185847 -0.01012679 -0.01138158
8.99216362 6.43173779 -22.64068606
-0.00051126 0.00018824 -0.00052703
-0.00660577 0.00941450 0.00395534
9.60854457 7.75688656 -20.00643495
-0.00086863 0.00113440 -0.00039732
0.00311487 0.00120023 -0.00101196
19.57726696 20.44508978 -4.37125610
-0.00043018 -0.00061026 -0.00027660
0.00471677 -0.03155433 -0.00726515
21.27114746 19.57149926 -6.45956018
0.00050403 -0.00098083 0.00040606
0.00346461 -0.00180905 -0.00123841
1.62613750 13.12529010 -20.49235174
0.00021482 0.00035263 0.00091316
0.01515837 -0.01564835 0.01217070
0.32018928 15.02798189 -21.84422904
-0.00001622 0.00025522 0.00003854
-0.02302364 0.02393748 -0.01201902
9.77377483 -7.06143220 -0.50356686
0.00040216 0.00086506 0.00006840
-0.00448024 -0.01608188 -0.00509884
9.33460577 -4.23325673 -0.33368035
0.00078536 -0.00004004 0.00020547
-0.00305215 0.01245107 -0.00104555
-17.11249845 -6.51383643 6.23281700
0.00026322 0.00024433 0.00014888
0.01003050 0.00964091 -0.00784286
-18.02879246 -5.30578254 3.79854517
0.00086499 -0.00004154 -0.00043926
0.02324704 -0.00497442 0.00313523
-14.21525282 -0.87876273 18.89904583
0.00023275 -0.00023380 0.00020487
-0.00049987 -0.01500462 0.03948843
-15.18944430 -0.19480337 21.59672605
-0.00001662 -0.00049846 -0.00003579
0.00571795 -0.00986090 0.00238474
-0.18637673 2.91756421 -3.34587257
-0.00054648 -0.00081368 0.00046822
-0.00049047 -0.00455671 -0.00995220
1.24014824 2.27141505 -5.90006853
0.00044890 -0.00041819 0.00069228
-0.00912546 0.00111661 0.01337695
20.25272449 -8.96036118 -5.95178900
0.00040991 0.00071195 -0.00105538
-0.01551031 0.00264982 -0.00336644
22.51158366 -9.13840209 -4.40466139
0.00031361 0.00085799 -0.00075034
0.01821607 -0.00245434 0.01067100
4.64605279 -11.22907051 6.42729315
-0.00089335 -0.00007807 -0.00040575
-0.05756361 0.00385051 0.01247335
2.38057384 -11.20654757 8.60157426
0.00004263 0.00066004 0.00030763
0.01860333 0.00430710 -0.03866598
-2.62802331 -3.40405263 -20.27244798
0.00039839 -0.00073144 0.00054587
0.02641841 0.03716911 0.01769742
-2.99850860 -1.68108526 -17.92998072
-0.00073744 -0.00072207 0.00022584
-0.00274547 0.00507323 0.01598690
1.30359089 5.68529770 -11.28395585
0.00052361 -0.00020564 0.00084904
-0.04877000 -0.00783142 -0.00271615
-1.02403084 4.52432652 -9.75338120
0.00023773 0.00096561 -0.00064988
-0.00941519 -0.01133041 0.02207283
-3.97943515 17.04602104 14.67610073
0.00033751 0.00043176 -0.00007625
-0.02538559 -0.04144848 -0.01627725
-6.60066647 16.08335018 13.45838300
0.00004831 0.00001487 -0.00044541
0.00598349 0.00142242 0.00849291
-5.20707312 2.10490378 -6.62864132
0.00057480 0.00027063 -0.00048887
0.00151840 0.00636895 -0.00410362
-5.25820466 2.03087150 -9.60549989
0.00041512 0.00007135 -0.00057601
-0.00264568 0.02043908 0.01312510
-9.21883494 -1.61148698 -4.37624164
0.00047291 0.00043762 0.00021934
-0.00292664 -0.02463568 -0.00497954
-9.52411455 0.74173663 -3.03112971
-0.00029410 -0.00105077 0.00025878
-0.02141779 0.02945675 0.03339122
2.33056752 29.12439779 4.51319354
0.00009925 0.00001686 -0.00008999
0.02731044 -0.03583800 0.01437617
2.06987682 28.04596588 7.10280399
-0.00079552 -0.00063020 -0.00033481
-0.00302537 -0.00467812 0.01984127
6.86181328 -9.61084118 -2.69522589
-0.00166374 0.00079746 0.00111454
0.00884481 -0.00814586 0.00903282
8.97275577 -11.09116711 -1.09779655
-0.00031463 -0.00096885 -0.00055211
-0.00862337 -0.01265098 0.00282854
-5.15816937 -0.19298652 9.30926901
0.00069912 0.00015279 -0.00110237
-0.03102385 0.01771963 0.00595573
-8.02238041 1.07868886 9.93462263
-0.00040370 0.00071609 -0.00000840
-0.00605859 -0.01007753 -0.00081455
18.98657680 9.73072429 7.57418222
-0.00026203 -0.00000646 -0.00077957
0.02203440 -0.00779725 -0.02339525
21.63296344 10.02885863 5.99251512
-0.00089875 -0.00085108 -0.00005191
-0.01559235 -0.00037601 0.00720524
-3.27505196 0.63034844 -22.52506961
-0.00089037 -0.00013690 0.00084107
0.00593110 -0.00403908 0.05364859
-5.27610153 0.30014620 -24.66952065
0.00088266 -0.00025485 -0.00016386
0.04175718 0.01048975 0.00954175
-12.80081272 9.57325361 10.61393564
0.00020780 0.00020480 -0.00047946
0.00311914 0.00360334 -0.00957862
-13.82968289 9.49739500 7.80560618
-0.00061323 -0.00044975 0.00010040
0.00698732 -0.00618306 0.01605102
-13.56115558 4.12146563 -4.81724814
0.00078235 -0.00132572 -0.00031418
-0.00054897 -0.01303170 -0.01055684
-15.16654262 6.58532291 -4.64328644
-0.00041601 -0.00029757 0.00119250
0.01175552 -0.01046894 0.00470707
-5.35229996 -15.93438115 20.97315346
0.00003914 0.00042828 -0.00005249
-0.01608941 -0.01313898 0.00673918
-2.97123483 -15.18104168 19.69836021
0.00023360 0.00076774 0.00028629
0.01073651 0.00198119 -0.01372949
-6.52788430 6.80617788 -6.59831739
0.00019179 0.00054444 -0.00002404
0.00518946 0.00856835 -0.00117725
-8.06769478 9.16779203 -5.74947626
-0.00108255 -0.00023827 -0.00110717
0.01788510 0.00184355 -0.00794916
-21.02103016 30.83038859 0.14607923
0.00007187 -0.00070773 0.00045780
-0.00464544 -0.00106097 -0.00901042
-18.13728662 30.26511852 0.49535831
0.00000789 -0.00081766 -0.00128389
0.00547218 0.00046832 -0.00101523
8.88750744 3.02394171 6.93011587
0.00040740 0.00025967 0.00078550
0.02342542 0.01356512 0.01457541
9.68594292 5.41041100 8.51870003
-0.00063779 0.00089825 0.00047386
-0.01005109 0.03051668 0.00349069
8.54591395 17.79467263 -12.33575191
-0.00005610 -0.00023802 -0.00021494
-0.01773403 -0.01168908 0.00263729
8.56012104 15.19298802 -11.45124390
-0.00015511 -0.00045365 -0.00030845
0.00193150 -0.01526710 0.00610556
12.96206399 5.77033746 0.03260870
0.00132122 -0.00046685 0.00031906
0.01770653 -0.02176434 0.00492606
14.22642593 3.12323097 0.95360950
-0.00103297 -0.00047810 0.00138969
-0.01418233 0.02014911 -0.00708357
-4.73252711 11.93582935 -2.64002163
-0.00071845 0.00152470 0.00040150
0.02833978 0.01978096 -0.04588947
-5.31070851 10.12776880 -0.90913778
-0.00036186 0.00021875 -0.00036515
-0.01366922 0.00677268 0.01523053
7.85063106 12.85513258 4.72347916
0.00050219 -0.00075620 -0.00026088
-0.01715724 0.06351887 -0.01026745
10.22280108 11.20576233 4.56573373
-0.00031591 -0.00053057 0.00012616
0.00095165 -0.00467229 -0.00005062
19.18030336 -10.81274422 -9.09528935
0.00073835 0.00118867 0.00000092
-0.02201345 0.01427028 0.03270680
20.56071469 -12.82453636 -10.36633068
0.00028329 -0.00096074 0.00054219
0.01220677 -0.02538874 -0.00407911
19.17379364 -4.94028222 -1.72337075
0.00080462 -0.00024903 -0.00026742
-0.00038816 0.00539360 -0.02911006
18.27408601 -7.35273328 -0.20024920
0.00012811 0.00021267 -0.00003611
0.00602102 0.01604695 -0.00324995
14.74640519 8.99467893 9.28273569
-0.00062925 -0.00093990 -0.00006507
0.00827012 -0.01302913 0.00418652
16.61170722 7.90608959 11.26560380
-0.00015450 0.00029324 -0.00035082
-0.00265779 -0.00099939 0.00091026
2.87082191 -15.99447896 17.50986058
0.00026285 -0.00120168 -0.00058360
-0.00910588 0.01140796 -0.00635266
3.24589155 -12.89352843 17.12221642
-0.00004053 0.00064788 -0.00059461
0.00404213 -0.03091498 -0.00324129
-4.49878585 -4.28827664 -13.69211812
-0.00068358 0.00047861 -0.00001230
0.00362930 0.01210482 0.00099531
-2.09715509 -2.31346319 -13.36122580
-0.00046097 -0.00040725 -0.00008041
-0.01423463 -0.00756454 -0.00788611
16.10258212 -7.36629554 -14.76453402
0.00046368 -0.00063293 -0.00009926
0.00578749 -0.00605015 -0.00378538
17.27578688 -7.39554827 -11.90509151
0.00003946 0.00060476 0.00030101
-0.01176761 0.01126884 -0.01119112
9.17210268 -4.22992807 5.49167633
-0.00003089 0.00014791 0.00118959
0.00196690 -0.00295347 -0.00576603
12.17244688 -4.18660133 5.79847817
0.00003163 0.00135700 -0.00099658
-0.00221762 0.00180946 -0.01112910
-20.98115588 -0.28430097 24.76085954
-0.00027929 -0.00106268 0.00066723
0.00340509 0.02022156 0.00888512
-20.10026418 2.64360350 25.18490500
-0.00005856 -0.00017217 -0.00025460
-0.01869920 0.01853501 0.00330670
24.72803030 -2.36745755 -6.95399497
0.00083566 0.00023850 0.00028488
0.00830797 -0.00476990 -0.00629804
24.01206321 -0.61938994 -9.29550974
-0.00021558 0.00012781 0.00056318
0.00164822 -0.00070473 0.01909070
12.39392274 -10.03832081 -9.51355644
0.00005506 0.00094815 0.00101306
-0.00998966 0.00984081 -0.01680145
12.58271510 -8.49987346 -12.06487013
0.00058339 -0.00002965 -0.00000288
-0.00941869 -0.01470699 0.00935420
-9.01893811 -9.28504955 18.38165741
0.00132977 -0.00084289 -0.00007562
-0.00185026 -0.01050689 -0.01548176
-11.48381809 -9.36956965 16.91798319
-0.00091192 0.00087067 0.00057097
-0.00733852 -0.00225809 0.00651327
8.59431264 0.24378848 -29.98737464
0.00059951 0.00018012 0.00079933
-0.00696517 0.00908827 0.00710683
5.64414682 0.34585474 -29.24922745
-0.00064005 -0.00100420 -0.00040870
0.00031701 0.00185128 -0.00444272
12.58275240 19.68098728 12.43514493
0.00020912 -0.00018125 -0.00004364
-0.00211902 -0.02914725 0.00434063
13.26002771 17.61728029 10.51398729
-0.00096928 0.00062440 -0.00087680
-0.01007104 -0.00165922 0.03174428
27.85377466 7.70968885 -11.59080402
-0.00019360 -0.00012530 -0.00001094
-0.01873977 -0.00289918 0.00649137
25.73751272 7.17215844 -9.40450651
0.00020517 0.00028784 -0.00015574
0.01359729 0.00878846 0.01483845
-6.99768324 4.52890587 6.64705636
0.00025306 -0.00012889 -0.00012399
-0.00150591 -0.00167999 -0.00570903
-8.84223027 8.68001292 3.87942995
0.00019069 -0.00014514 -0.00000530
-0.00537449 -0.00311840 -0.00311512
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07977190
0.30971995
412.68630117
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3053225481 (a.u.)
total exchange computation time: 3.0152800083 s
-153.6725515089
-931.39282873
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3054931116 (a.u.)
total exchange computation time: 3.0172321796 s
-153.6720748038
Anderson extrapolation: theta=1.3523289282 (1.3523289282)
-931.39305255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3056677303 (a.u.)
total exchange computation time: 3.0207180977 s
-153.6719647684
Anderson extrapolation: theta=0.0525688554 (0.0525688554)
-931.39318580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3056284743 (a.u.)
total exchange computation time: 3.0165119171 s
-153.6724517330
Anderson extrapolation: theta=1.9480180493 (1.9480180493)
-931.39319080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.790 s
total exchange = -52.3055345940 (a.u.)
total exchange computation time: 3.0167260170 s
-153.6735308217
Anderson extrapolation: theta=0.2230362510 (0.2230362510)
-931.39319614
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3055089430 (a.u.)
total exchange computation time: 3.0166089535 s
-153.6737897074
Anderson extrapolation: theta=1.8637897310 (1.8637897310)
-931.39319717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3054749136 (a.u.)
total exchange computation time: 3.0175900459 s
-153.6741295444
Anderson extrapolation: theta=0.2826036688 (0.2826036688)
-931.39319840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3054789711 (a.u.)
total exchange computation time: 3.0188200474 s
-153.6740897203
Anderson extrapolation: theta=1.3050911304 (1.3050911304)
-931.39319867
30.108856 66.406235 -251.639426
545.105499 1080.837833 -416.590596
575.214356 1147.244068 -668.230021
1446.918058
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3054935479 (a.u.)
total exchange computation time: 3.0143690109 s
677.82768779
-1081.51804447
89.88984381
-390.63517821
-174.65201421
77.03920420
551.60419304
0.00000000
-931.39319884
3.50204321 -31.14633975 -3.85000022
-0.00027192 0.00050725 0.00007874
0.00818168 -0.00651302 0.00988385
-11.20715204 2.12361040 -9.37020775
-0.00001614 -0.00020190 -0.00014008
0.00311288 0.00787489 -0.02653881
-36.86937357 2.03193675 4.00528988
0.00046154 0.00019203 0.00013689
-0.03545106 -0.02806545 0.01460463
-7.73191079 -3.65655737 2.86788537
-0.00013031 -0.00015135 -0.00029878
-0.01584502 -0.01748248 -0.00290510
2.39734439 -0.00125954 9.65347805
0.00011262 0.00018170 -0.00011462
0.00566791 -0.01398256 0.00513851
-31.31651568 1.39641076 3.49486225
-0.00025958 0.00001245 0.00006207
-0.00504128 0.00606620 0.01032427
16.54790638 13.20393685 -17.66375378
0.00022571 0.00013976 0.00008717
-0.01704363 -0.00851251 -0.01623520
-3.37032320 4.85711388 3.95260826
-0.00025097 -0.00011596 -0.00064082
0.01229470 0.01196883 0.00307300
4.82985598 17.34452179 -6.68963179
0.00001179 -0.00001324 -0.00013461
0.03245345 0.00514043 -0.03288867
8.32028721 7.52300749 -21.29128572
0.00016434 0.00038345 -0.00011169
-0.00877494 -0.01141309 -0.01605570
20.05037389 18.82822540 -5.32115939
0.00059052 0.00026936 0.00004054
-0.01676590 0.02803987 0.01405193
2.01718287 14.63496576 -21.39450735
-0.00014978 -0.00018348 0.00007106
0.00830433 -0.00255700 0.00375092
10.56614615 -5.51978310 0.02575928
0.00008725 0.00002814 -0.00008227
0.02271814 0.00843081 0.01467187
-16.44134671 -5.59715620 4.75721792
-0.00000731 -0.00013397 -0.00014870
-0.02967732 -0.00664365 0.00754087
-14.19612785 -1.49876584 20.75976452
-0.00003242 0.00027061 -0.00011423
-0.00902335 0.02710566 -0.04507632
0.59015965 3.65153682 -4.83575704
-0.00044649 0.00011660 -0.00013279
0.00575005 -0.00187654 0.00711303
20.74351558 -9.57463445 -4.32562978
-0.00057134 -0.00008888 -0.00024051
-0.00431837 0.00116890 -0.01471347
2.74048122 -10.86070691 6.74274645
0.00000673 -0.00002507 0.00003007
0.03406333 -0.00722685 0.02810695
-1.89314344 -1.80688501 -19.34153078
-0.00019139 -0.00005388 0.00011394
-0.01982546 -0.04086551 -0.03271675
-0.63905792 5.30759397 -11.30960201
-0.00020453 0.00033904 -0.00008655
0.05440267 0.02351216 -0.02676117
-4.87926184 15.49673971 13.81760149
0.00004716 0.00010974 0.00063743
0.02221720 0.03924524 0.02153635
-4.97917398 3.18553699 -8.09676288
-0.00000211 0.00023359 -0.00016634
0.00031291 -0.01131531 0.00597425
-8.52854958 0.02911206 -4.28217851
0.00026205 -0.00018576 0.00029871
0.03047910 -0.00029632 -0.02256578
3.05102371 27.69918768 5.63642538
0.00014019 -0.00028863 -0.00014784
-0.02232917 0.03890758 -0.03380887
8.61688307 -9.61588947 -2.09131471
-0.00007614 0.00003381 0.00001801
-0.01855027 0.00969771 -0.00943502
-6.23561160 1.33655349 10.05362544
0.00017618 -0.00022557 0.00015496
0.02721815 -0.02678373 -0.02944632
19.83375449 9.54534878 5.87339602
0.00037556 0.00006748 -0.00021915
-0.00354949 0.00783419 0.01996446
-3.38129769 0.55471099 -24.26578947
-0.00010774 -0.00015843 -0.00012572
-0.04670862 -0.00626617 -0.05395631
-13.66153365 8.49419563 9.40616418
-0.00011257 0.00013787 -0.00020335
-0.00918632 0.00034965 -0.00874814
-13.65865336 5.69056924 -3.96015896
0.00027761 -0.00004309 -0.00009812
-0.00898996 0.01176524 0.00072200
-3.77985718 -15.06814879 21.30076763
0.00000232 -0.00001369 0.00011764
0.00573169 0.00841909 0.00506202
-6.39370115 8.63904560 -6.39304490
-0.00017035 0.00005480 0.00028675
-0.01774495 -0.01141772 0.00297009
-19.72821580 30.48247613 1.34966852
-0.00000626 0.00038907 0.00022336
0.00732945 0.00205238 0.00741227
10.24062296 3.76528126 8.09001104
-0.00022778 0.00012402 -0.00021574
-0.00989647 -0.03095237 -0.01233330
7.33288980 16.51549400 -11.67343949
-0.00028136 0.00005736 0.00022916
0.01101008 0.02289972 0.00103942
14.07994153 4.35115659 -0.46290156
0.00004425 -0.00024577 0.00023941
-0.00154384 -0.00312607 -0.00050042
-5.87100884 11.87641843 -1.30591925
-0.00021120 -0.00009811 -0.00009521
-0.01616275 -0.01411043 0.03304362
8.41759601 11.23072370 4.92282870
0.00019161 -0.00057086 0.00003650
0.00871929 -0.05511122 0.01608396
19.89497420 -11.18842272 -10.66084618
0.00005531 0.00003497 -0.00032934
0.01255427 -0.00079151 -0.02722211
19.27518671 -5.74097966 -0.13612050
0.00008142 0.00018508 0.00023250
-0.01013416 -0.02944119 0.02726004
15.85064360 7.54900266 9.64617389
-0.00023492 -0.00002577 0.00012032
-0.01084375 0.01449802 -0.00521368
3.75135146 -14.63556187 16.59316406
-0.00018788 -0.00002457 0.00006091
0.00489192 0.02175086 0.00507406
-3.78955053 -2.51598535 -14.10000851
-0.00017947 0.00024040 -0.00040721
0.02226367 0.02238458 0.00655517
16.27932158 -6.40398502 -13.16141777
-0.00003142 0.00012639 0.00011533
-0.00473460 -0.03256446 -0.00151055
10.57749209 -4.53827295 6.62118458
-0.00011150 -0.00025013 0.00040879
0.01340567 0.00251562 0.01434706
-19.62604214 0.93031639 25.22304352
-0.00013168 0.00029158 0.00024946
0.01089448 -0.04627368 -0.00471942
23.98536239 -0.74337835 -7.39860281
-0.00018335 0.00002925 -0.00004239
-0.00201114 0.00589278 -0.02155213
11.52622624 -9.73930226 -11.15930791
0.00000935 -0.00003637 0.00013424
0.02417791 0.00584027 0.01647016
-9.76477627 -9.91642307 16.79785291
0.00001491 0.00012583 0.00029926
0.00532447 0.01173098 0.00227730
7.32436609 -0.01317627 -28.64296742
-0.00002310 -0.00040367 -0.00011482
0.00562336 -0.00365384 0.00348879
12.59612781 17.79293063 12.29724021
0.00003869 0.00015708 0.00011469
0.01424373 0.03637302 -0.03522663
25.99998122 7.56340470 -11.16006897
0.00014700 0.00026969 -0.00000310
0.00791087 0.00102881 -0.01340200
4.11565677 -29.75722980 -4.85313976
0.00098008 -0.00020426 -0.00011596
0.00367227 0.01047849 -0.01608551
3.25830501 -30.40092584 -2.16149223
-0.00034357 0.00001209 -0.00079695
-0.00561233 -0.00563869 0.00509815
-9.56390097 2.83088392 -8.91763592
-0.00068188 -0.00109714 -0.00032571
-0.00869593 -0.00320860 0.00244879
-11.63921708 2.83927152 -11.12613712
0.00016733 0.00026928 0.00045753
0.00678646 -0.01197495 0.02217558
-36.81169897 3.50182764 2.97828527
-0.00034417 0.00050890 -0.00019809
-0.00280909 0.01815345 -0.00772874
-38.77725546 1.53796334 4.08400006
0.00077587 0.00014513 0.00035929
0.04091918 0.00905095 -0.00727539
-9.13217651 -4.66521966 2.09389155
0.00039476 -0.00100073 0.00068513
0.00072742 0.01550514 -0.00367517
-6.38165749 -4.84584751 2.60065193
-0.00017324 -0.00037658 0.00009125
0.00892828 0.00101133 0.00580201
3.39721059 -1.22859816 8.75505351
0.00048888 -0.00050825 -0.00119834
0.00390330 -0.00268807 0.00202759
1.55455480 0.84656761 8.31106151
-0.00019601 -0.00052659 0.00060543
-0.00887500 0.01509750 -0.00890366
-30.71443652 -0.29563665 3.64306997
0.00102870 -0.00048199 -0.00078671
0.01460240 -0.01953437 -0.00557475
-33.10536749 1.15813824 3.80672784
0.00068501 -0.00030030 0.00086469
-0.00513463 0.00888138 -0.00361745
15.23484219 12.10327333 -18.65898757
-0.00023632 0.00024484 0.00039509
0.03939361 0.01987722 0.03258948
18.06100479 12.13110310 -17.31519261
0.00001815 -0.00101284 -0.00044590
-0.02095763 0.00058462 -0.01049628
-2.42153824 6.19167959 4.87703802
0.00089755 -0.00048781 -0.00004835
-0.01548095 -0.01344783 -0.00818502
-3.60702900 5.68207901 2.31554032
0.00059715 -0.00067285 -0.00007923
0.00093383 -0.00571011 0.00533872
6.03756944 17.38369018 -8.28082321
0.00024564 0.00111163 -0.00040393
-0.03155153 -0.00625311 0.03542098
5.61728049 18.50703721 -5.49843330
-0.00005825 -0.00132045 -0.00047461
0.00481162 -0.00521271 -0.00604411
8.98429235 6.43484993 -22.64847026
-0.00053661 0.00022780 -0.00050827
-0.00580412 0.00994670 0.00522849
9.59561059 7.77393937 -20.01242570
-0.00084655 0.00113932 -0.00039423
0.00769472 0.00120643 0.00252167
19.57095875 20.43496900 -4.37562768
-0.00041023 -0.00073276 -0.00030450
0.00504905 -0.02840974 -0.00639233
21.27881406 19.55673132 -6.45350718
0.00052524 -0.00098216 0.00039509
0.00691976 0.00116065 -0.00413465
1.62982437 13.13010010 -20.47828142
0.00027534 0.00028843 0.00096277
0.01446499 -0.01578065 0.01211502
0.31924051 15.03254369 -21.84401920
-0.00010932 0.00035119 -0.00000944
-0.02255305 0.02303981 -0.01146984
9.77966990 -7.04894909 -0.50269713
0.00037796 0.00078712 0.00004372
-0.00736304 -0.02206839 -0.00698385
9.34629261 -4.23347573 -0.33063028
0.00076693 0.00001712 0.00019952
-0.00596948 0.01552800 -0.00186927
-17.10824285 -6.50987603 6.23480986
0.00030286 0.00028328 0.00011655
0.00937380 0.00942317 -0.00798104
-18.01510522 -5.30655806 3.79205227
0.00095272 -0.00006133 -0.00042934
0.01969494 -0.00471374 0.00172142
-14.21177684 -0.88272956 18.90332890
0.00022982 -0.00029290 0.00036233
-0.00093377 -0.01392352 0.03759061
-15.18951831 -0.20258238 21.59626223
0.00000262 -0.00053271 -0.00002318
0.00369599 -0.00690552 0.00379080
-0.19458891 2.90521934 -3.33915428
-0.00054342 -0.00082577 0.00041772
0.00198700 -0.00136191 -0.01476497
1.24660213 2.26517640 -5.88927435
0.00041067 -0.00041101 0.00074693
-0.00958980 0.00239817 0.01337148
20.25839784 -8.94960073 -5.96772291
0.00034779 0.00071830 -0.00105853
-0.01489737 0.00045594 0.00182745
22.51684594 -9.12560751 -4.41558948
0.00037191 0.00084308 -0.00070411
0.01032438 -0.00484024 0.01195591
4.63088858 -11.23012351 6.42158915
-0.00112021 -0.00006366 -0.00035504
-0.05348546 0.00320096 0.01235078
2.38178334 -11.19651496 8.60500384
0.00011885 0.00067708 0.00014839
0.01870619 0.00403404 -0.03928031
-2.62123787 -3.41388530 -20.26371761
0.00050613 -0.00057875 0.00061675
0.02631861 0.03757485 0.01699591
-3.00965435 -1.69176077 -17.92610322
-0.00074395 -0.00070115 0.00028639
-0.00044153 0.00516720 0.01365223
1.30995057 5.68197309 -11.27130349
0.00032001 -0.00023701 0.00083486
-0.05089344 -0.00752441 -0.00422445
-1.02075334 4.53846347 -9.76245296
0.00019414 0.00091205 -0.00054600
-0.01192669 -0.01488939 0.02877483
-3.97515036 17.05122728 14.67445813
0.00023283 0.00026228 -0.00014208
-0.02585870 -0.04151340 -0.01594664
-6.59975850 16.08361677 13.45196216
0.00007479 0.00002074 -0.00040970
0.00698062 0.00145100 0.00898714
-5.19840456 2.10915838 -6.63610013
0.00058019 0.00029349 -0.00050108
0.00112111 0.00482004 -0.00187140
-5.25205896 2.03256803 -9.61373782
0.00040424 0.00015651 -0.00051978
-0.00268138 0.02124755 0.01439902
-9.21183097 -1.60567767 -4.37310406
0.00045758 0.00032552 0.00019686
-0.00457842 -0.03023472 -0.00602470
-9.52918235 0.72687777 -3.02622482
-0.00038079 -0.00092947 0.00039525
-0.02101635 0.02991955 0.03341017
2.33289320 29.12355256 4.51228418
0.00021166 -0.00013041 -0.00003097
0.02771439 -0.03625150 0.01451520
2.05785136 28.03636948 7.09838984
-0.00080490 -0.00065068 -0.00025811
-0.00156919 -0.00534731 0.01770163
6.83712819 -9.59912895 -2.67823104
-0.00161246 0.00076365 0.00115534
0.01625933 -0.00840098 0.01093871
8.96777204 -11.10608758 -1.10599147
-0.00035087 -0.00101421 -0.00054412
-0.00911573 -0.00955333 0.00107881
-5.14863321 -0.19015169 9.29291595
0.00056980 0.00022523 -0.00107624
-0.03227896 0.01774073 0.00683578
-8.02862162 1.08912140 9.93447164
-0.00042057 0.00067518 -0.00001175
-0.00219882 -0.00994877 -0.00082251
18.98332158 9.73038842 7.56177169
-0.00017270 -0.00003813 -0.00087181
0.02169179 -0.00770547 -0.02175580
21.61900439 10.01608093 5.99195733
-0.00094348 -0.00084686 -0.00002081
-0.00630343 0.00244235 0.00801539
-3.28822570 0.62817111 -22.51080963
-0.00086697 -0.00015413 0.00103950
0.00552311 -0.00439107 0.04348755
-5.26158206 0.29664496 -24.67168610
0.00104346 -0.00021256 -0.00012722
0.03695493 0.01021124 0.00839068
-12.79760008 9.57643596 10.60645023
0.00022070 0.00021965 -0.00051842
0.00319588 0.00366888 -0.00949324
-13.83866727 9.49045922 7.80760398
-0.00058479 -0.00047150 0.00016059
0.00693706 -0.00446136 0.01341444
-13.54943714 4.10118053 -4.82228429
0.00077715 -0.00135868 -0.00034721
-0.00199500 -0.00310144 -0.00561392
-15.17242250 6.58053861 -4.62525467
-0.00036826 -0.00034128 0.00120927
0.01161673 -0.01092958 0.00349854
-5.35220596 -15.92835950 20.97257257
-0.00002796 0.00037317 -0.00002606
-0.01675399 -0.01383923 0.00620043
-2.96740181 -15.16946485 19.70223385
0.00027716 0.00077558 0.00022939
0.01058414 0.00185836 -0.01412458
-6.52484841 6.81460703 -6.59871402
0.00021261 0.00057206 -0.00002962
0.00500142 0.00494995 -0.00155772
-8.08338505 9.16427453 -5.76632741
-0.00100631 -0.00023120 -0.00113966
0.01943495 0.00161694 -0.00795607
-21.02009452 30.81974011 0.15267012
0.00004635 -0.00071071 0.00041659
-0.00784349 -0.00039785 -0.01116340
-18.13700052 30.25286791 0.47606879
0.00001862 -0.00081420 -0.00128006
-0.00022206 0.00122660 0.00289266
8.89433627 3.02825243 6.94234498
0.00049504 0.00031133 0.00083813
0.01947317 0.01172128 0.01118747
9.67606803 5.42481992 8.52591496
-0.00067352 0.00100677 0.00048369
-0.00743736 0.02260232 0.00132146
8.54452909 17.79074416 -12.33889526
-0.00012902 -0.00028579 -0.00020351
-0.01796116 -0.01169730 0.00296092
8.55785364 15.18571550 -11.45568362
-0.00015152 -0.00051140 -0.00028400
-0.00017759 -0.01300217 0.00586349
12.98242480 5.76266786 0.03754552
0.00138469 -0.00054513 0.00034152
0.01336273 -0.01655856 0.00606966
14.21049683 3.11667691 0.97423786
-0.00109032 -0.00039003 0.00135178
-0.01389019 0.02296179 -0.01147520
-4.74243551 11.95930605 -2.63540536
-0.00059587 0.00160513 0.00020674
0.03166673 0.01958764 -0.04944692
-5.31655521 10.13125766 -0.91414832
-0.00041546 0.00024245 -0.00030344
-0.01257020 0.00482474 0.01497928
7.85763812 12.84573593 4.71925134
0.00043070 -0.00049447 -0.00030337
-0.01783891 0.06460429 -0.01053415
10.21809165 11.19766065 4.56762464
-0.00030466 -0.00055018 0.00012468
0.00455436 -0.00492866 -0.00067752
19.19070400 -10.79447684 -9.09427332
0.00065179 0.00124515 0.00012854
-0.02035437 0.01337748 0.02976314
20.56533815 -12.83972540 -10.35832289
0.00032493 -0.00104581 0.00052290
0.00817659 -0.01625498 -0.00536122
19.18585107 -4.94385239 -1.72827400
0.00080364 -0.00022869 -0.00038204
-0.00009131 0.00456146 -0.02700089
18.27619220 -7.34905155 -0.20089036
0.00015264 0.00027759 -0.00004869
0.00598697 0.01573333 -0.00290861
14.73721984 8.98018113 9.28188789
-0.00059901 -0.00098764 -0.00004891
0.00653350 -0.01033874 0.00372657
16.60930835 7.91045759 11.26036941
-0.00016329 0.00029043 -0.00034251
-0.00164909 -0.00037669 0.00315684
2.87448559 -16.01215457 17.50091194
0.00022527 -0.00115003 -0.00060987
-0.00929007 0.01387640 -0.00650884
3.24540745 -12.88475749 17.11319796
-0.00002447 0.00051585 -0.00060703
0.00381756 -0.03371485 -0.00283847
-4.50892838 -4.28072654 -13.69227219
-0.00066931 0.00052714 -0.00000854
0.00335824 0.01164793 0.00084509
-2.10450587 -2.31980370 -13.36267364
-0.00051590 -0.00043721 -0.00011160
-0.01265258 -0.00710346 -0.00738191
16.10971466 -7.37597483 -14.76613898
0.00048776 -0.00065414 -0.00010996
0.00599789 -0.00433425 -0.00144999
17.27601825 -7.38613156 -11.90091936
-0.00000776 0.00064970 0.00025625
-0.01134660 0.01072952 -0.01071877
9.17169964 -4.22779995 5.50934354
-0.00002983 0.00013710 0.00116154
-0.00144700 -0.00233564 -0.00796621
12.17285332 -4.16619084 5.78318846
0.00000936 0.00136054 -0.00103327
-0.00868137 -0.00008046 -0.00683347
-20.98524082 -0.29962148 24.77114029
-0.00025858 -0.00097162 0.00070559
0.00673249 0.02435125 0.00988892
-20.10171565 2.64158886 25.18118726
-0.00013776 -0.00008954 -0.00024154
-0.02006798 0.02191520 0.00308725
24.74081981 -2.36402619 -6.94991473
0.00086731 0.00022260 0.00025753
0.00718436 -0.00301582 -0.00709345
24.00888007 -0.61749439 -9.28647707
-0.00020856 0.00012494 0.00063409
0.00178510 -0.00070160 0.01561974
12.39444251 -10.02379706 -9.49887543
0.00001061 0.00098832 0.00093846
-0.01176647 0.00982317 -0.01971371
12.59117740 -8.50076886 -12.06462670
0.00054191 -0.00009270 0.00003709
-0.01088906 -0.01615588 0.01020980
-8.99904824 -9.29801480 18.38004876
0.00132063 -0.00088425 -0.00013666
-0.00262512 -0.00974261 -0.01439886
-11.49772173 -9.35657873 16.92674734
-0.00092344 0.00085634 0.00059856
0.00170080 -0.00475804 0.00699075
8.60309187 0.24676879 -29.97516685
0.00057102 0.00021752 0.00082517
-0.00698122 0.00922117 0.00553887
5.63455586 0.33084846 -29.25549406
-0.00062989 -0.00099764 -0.00042488
0.00465466 0.00135973 -0.00347957
12.58582420 19.67737537 12.43462332
0.00020024 -0.00029512 -0.00002456
-0.00222551 -0.02659477 0.00499907
13.24517991 17.62659546 10.50180797
-0.00101181 0.00061689 -0.00074165
-0.01074609 -0.00201709 0.03441609
27.85029641 7.70772048 -11.59076914
-0.00026642 -0.00013674 0.00001484
-0.01690743 -0.00270167 0.00612569
25.74100688 7.17674538 -9.40638796
0.00026059 0.00032341 -0.00009262
0.01353142 0.00862043 0.01606269
-6.99389134 4.52696798 6.64518112
0.00025252 -0.00012946 -0.00012603
-0.00155391 -0.00149923 -0.00565095
-8.83937932 8.67783032 3.87934500
0.00018947 -0.00014584 -0.00000601
-0.00510849 -0.00287605 -0.00299128
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07984863
0.31335021
417.52344792
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3071416023 (a.u.)
total exchange computation time: 3.0145089626 s
-153.6826406833
-931.39640358
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3073501953 (a.u.)
total exchange computation time: 3.0138370991 s
-153.6818850915
Anderson extrapolation: theta=1.3530356324 (1.3530356324)
-931.39662061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3075799063 (a.u.)
total exchange computation time: 3.0140800476 s
-153.6813874620
Anderson extrapolation: theta=0.0527891054 (0.0527891054)
-931.39674980
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3075466262 (a.u.)
total exchange computation time: 3.0146420002 s
-153.6818413656
Anderson extrapolation: theta=1.9517463938 (1.9517463938)
-931.39675464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3074657392 (a.u.)
total exchange computation time: 3.0159990788 s
-153.6828500104
Anderson extrapolation: theta=0.2210485030 (0.2210485030)
-931.39675978
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3074438979 (a.u.)
total exchange computation time: 3.0161609650 s
-153.6830882599
Anderson extrapolation: theta=1.8443928165 (1.8443928165)
-931.39676075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3074167344 (a.u.)
total exchange computation time: 3.0146560669 s
-153.6833919459
Anderson extrapolation: theta=0.2780912288 (0.2780912288)
-931.39676187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3074219860 (a.u.)
total exchange computation time: 3.0137300491 s
-153.6833486523
Anderson extrapolation: theta=1.3094695432 (1.3094695432)
-931.39676211
30.167489 66.311220 -251.615733
545.082918 1080.840407 -416.590957
575.250407 1147.151627 -668.206690
1446.848322
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3074372939 (a.u.)
total exchange computation time: 3.0156998634 s
677.85494555
-1081.57272372
89.88498227
-390.59965234
-174.65687672
77.06929830
551.60419304
0.00000000
-931.39676225
3.49799593 -31.13875614 -3.84878099
-0.00026750 0.00050321 0.00008221
0.00900103 -0.00917753 0.00362267
-11.20738211 2.12061232 -9.37241133
-0.00001601 -0.00019864 -0.00015375
-0.00260942 0.00478727 -0.02660928
-36.86258725 2.03470901 4.00739963
0.00044352 0.00017852 0.00014366
-0.03462125 -0.02448952 0.01171761
-7.73392655 -3.65889510 2.86339254
-0.00013797 -0.00016032 -0.00030002
-0.01395028 -0.01737316 -0.00192786
2.39905558 0.00141202 9.65177855
0.00011759 0.00017218 -0.00011202
0.01365103 -0.02304907 0.00496302
-31.32042876 1.39662093 3.49583313
-0.00025995 0.00001408 0.00006731
0.00359231 0.00027116 0.01005548
16.55122632 13.20600046 -17.66250883
0.00021734 0.00013494 0.00007894
-0.01550904 -0.01023156 -0.01577052
-3.37404037 4.85542067 3.94300775
-0.00024387 -0.00011000 -0.00063725
0.01532339 0.01120144 0.01082920
4.83015803 17.34434307 -6.69177780
0.00002788 -0.00001164 -0.00015308
0.03010769 0.00106518 -0.03894533
8.32271854 7.52871528 -21.29302302
0.00015846 0.00037739 -0.00012122
-0.01409636 -0.01215677 -0.02100339
20.05916700 18.83237402 -5.32049709
0.00058097 0.00028204 0.00004820
-0.02036005 0.02123759 0.01572546
2.01496822 14.63220367 -21.39342700
-0.00014568 -0.00018461 0.00007288
0.00763062 -0.00182597 0.00333523
10.56754259 -5.51932846 0.02458189
0.00010026 0.00003312 -0.00007407
0.02785790 0.01094575 0.01718794
-16.44157077 -5.59919136 4.75501654
-0.00002130 -0.00013737 -0.00014440
-0.02472258 -0.00659981 0.00917372
-14.19664892 -1.49460208 20.75787717
-0.00003637 0.00028336 -0.00013704
-0.00635547 0.02245145 -0.04360844
0.58348455 3.65327859 -4.83772145
-0.00044395 0.00011458 -0.00012804
0.00410694 -0.00599899 0.01133844
20.73492885 -9.57596315 -4.32929417
-0.00057173 -0.00008710 -0.00024963
0.00280344 0.00577021 -0.02076209
2.74071356 -10.86111079 6.74330590
0.00002288 -0.00002844 0.00004454
0.02874318 -0.00587569 0.02818733
-1.89609072 -1.80785083 -19.33994794
-0.00020211 -0.00007479 0.00009804
-0.02185334 -0.04043976 -0.02909278
-0.64191599 5.31277027 -11.31100345
-0.00017565 0.00035178 -0.00010142
0.05788492 0.02602761 -0.03108138
-4.87846868 15.49853713 13.82724609
0.00005833 0.00012980 0.00064819
0.02119870 0.03877544 0.02028772
-4.97920443 3.18899721 -8.09923490
-0.00000184 0.00022809 -0.00016409
0.00071928 -0.01007482 0.00275270
-8.52450122 0.02632449 -4.27778485
0.00027761 -0.00018462 0.00028770
0.03003132 0.00474766 -0.02027368
3.05304048 27.69500833 5.63407732
0.00012826 -0.00026848 -0.00016442
-0.02408823 0.03945196 -0.03066265
8.61566935 -9.61534493 -2.09108102
-0.00008727 0.00003803 0.00001320
-0.02472689 0.00671616 -0.00926791
-6.23286384 1.33306656 10.05583631
0.00018935 -0.00023938 0.00013960
0.02397185 -0.02689676 -0.03028668
19.83937427 9.54639113 5.87018584
0.00037122 0.00007067 -0.00020965
-0.01334647 0.00458781 0.01695897
-3.38309394 0.55231035 -24.26788335
-0.00013006 -0.00016137 -0.00015004
-0.04007622 -0.00518132 -0.04061216
-13.66325762 8.49626496 9.40308025
-0.00011718 0.00013749 -0.00020707
-0.00873603 -0.00181811 -0.00574323
-13.65452392 5.68996821 -3.96162790
0.00027343 -0.00003937 -0.00009863
-0.00726287 0.00272145 -0.00271893
-3.77980032 -15.06832172 21.30255180
0.00000546 -0.00000925 0.00012030
0.00649757 0.00884602 0.00528044
-6.39632482 8.63982358 -6.38873223
-0.00017973 0.00004995 0.00028837
-0.01873988 -0.00744419 0.00333170
-19.72828139 30.48832004 1.35304752
-0.00000037 0.00038978 0.00022665
0.01555655 0.00072108 0.00538061
10.23716811 3.76702220 8.08672738
-0.00023226 0.00011089 -0.00022039
-0.00754895 -0.02013268 -0.00574205
7.32871184 16.51644275 -11.66999807
-0.00027512 0.00006843 0.00022974
0.01326007 0.02013355 0.00122618
14.08059930 4.34745796 -0.45931235
0.00004446 -0.00024945 0.00023979
0.00236144 -0.01117526 0.00198579
-5.87423923 11.87489241 -1.30721994
-0.00022026 -0.00010472 -0.00007782
-0.01903850 -0.01159696 0.03457576
8.42050382 11.22194818 4.92343829
0.00019505 -0.00059858 0.00004489
0.00463852 -0.05266336 0.01651581
19.89585223 -11.18790128 -10.66589128
0.00006218 0.00003256 -0.00034191
0.01417073 -0.00855890 -0.02167222
19.27636892 -5.73831699 -0.13252779
0.00007620 0.00017043 0.00024563
-0.01015394 -0.02754165 0.02378192
15.84707799 7.54867205 9.64795862
-0.00024021 -0.00001925 0.00011721
-0.00973726 0.01084019 -0.00688807
3.74855218 -14.63584659 16.59409734
-0.00018528 -0.00001351 0.00006348
0.00519365 0.02127024 0.00490857
-3.79215668 -2.51229304 -14.10609143
-0.00016849 0.00025183 -0.00040405
0.02042622 0.02205854 0.00573141
16.27883196 -6.40221478 -13.15969367
-0.00003402 0.00010942 0.00011373
-0.00534752 -0.03342567 -0.00468720
10.57587124 -4.54201519 6.62737174
-0.00010218 -0.00024848 0.00041558
0.02283953 0.00390126 0.01207277
-19.62797526 0.93451160 25.22676725
-0.00012655 0.00026618 0.00024687
0.00905875 -0.05248909 -0.00536786
23.98260431 -0.74291693 -7.39932176
-0.00018402 0.00003173 -0.00005220
-0.00056042 0.00376015 -0.01662436
11.52645968 -9.73982531 -11.15723084
0.00002241 -0.00003306 0.00014319
0.02660869 0.00704147 0.01833621
-9.76453205 -9.91449032 16.80235060
0.00001562 0.00013222 0.00029993
-0.00258851 0.01308939 0.00033671
7.32404123 -0.01924546 -28.64467630
-0.00002131 -0.00040548 -0.00011296
0.00135312 -0.00335729 0.00377299
12.59676308 17.79542710 12.29882473
0.00004612 0.00017499 0.00009592
0.01467248 0.03330033 -0.03777314
26.00221674 7.56745408 -11.16016723
0.00015047 0.00027016 -0.00000997
0.00557647 0.00077346 -0.01329730
4.13047053 -29.75997259 -4.85537200
0.00099445 -0.00016158 -0.00018093
0.00336088 0.01041166 -0.01572115
3.25297953 -30.40091735 -2.17329027
-0.00036817 -0.00000520 -0.00076436
-0.00642894 -0.00282354 0.01085774
-9.57439569 2.81432849 -8.92244653
-0.00070391 -0.00110438 -0.00031127
-0.00208482 -0.00033278 0.00462162
-11.63649913 2.84294372 -11.11859469
0.00019330 0.00022103 0.00054444
0.00592704 -0.01164413 0.02036950
-36.81694755 3.51001736 2.97507705
-0.00035508 0.00057625 -0.00022479
-0.00253361 0.01481594 -0.00533870
-38.76436354 1.54041771 4.08916652
0.00094011 0.00018136 0.00032995
0.03947785 0.00868402 -0.00708683
-9.12623287 -4.67975546 2.10405592
0.00039339 -0.00093823 0.00066766
-0.00139787 0.01508758 -0.00487788
-6.38398252 -4.85146521 2.60219851
-0.00013628 -0.00037120 0.00011544
0.00916367 0.00162122 0.00603976
3.40466346 -1.23630423 8.73714057
0.00049444 -0.00050632 -0.00118055
-0.00118131 0.00363021 0.00667740
1.55134268 0.83913139 8.31987010
-0.00023818 -0.00045908 0.00055980
-0.01176786 0.01795046 -0.01343307
-30.69855850 -0.30346508 3.63109853
0.00108215 -0.00054823 -0.00081078
0.01155916 -0.01289132 -0.00620784
-33.09524962 1.15390593 3.81958729
0.00065278 -0.00026597 0.00085173
-0.01064311 0.00792068 -0.00272456
15.23250446 12.10755508 -18.65206263
-0.00007621 0.00032589 0.00052750
0.03898195 0.01979609 0.03222959
18.06063483 12.11592844 -17.32220281
-0.00006975 -0.00100676 -0.00048876
-0.02206827 0.00239159 -0.01047965
-2.40854943 6.18395030 4.87606193
0.00082967 -0.00054749 -0.00008644
-0.01774573 -0.01576653 -0.01045847
-3.59804308 5.67181122 2.31451543
0.00059914 -0.00068986 -0.00006853
0.00003950 -0.00261306 -0.00010106
6.04028717 17.40017303 -8.28579674
0.00011526 0.00108382 -0.00025846
-0.03226694 -0.00735817 0.03578752
5.61655421 18.48707074 -5.50573770
-0.00003200 -0.00133116 -0.00048757
0.00803665 -0.00002999 -0.00029943
8.97606538 6.43857167 -22.65593404
-0.00055838 0.00026910 -0.00048480
-0.00485303 0.01027212 0.00625736
9.58314819 7.79106612 -20.01826190
-0.00080591 0.00114444 -0.00037673
0.01219683 0.00130189 0.00604445
19.56495996 20.42310709 -4.38039102
-0.00038938 -0.00084105 -0.00032816
0.00515852 -0.02460240 -0.00519234
21.28690476 19.54203451 -6.44770758
0.00056045 -0.00097152 0.00037243
0.01031352 0.00404567 -0.00695682
1.63439774 13.13394296 -20.46346860
0.00033299 0.00022487 0.00101138
0.01375369 -0.01533065 0.01168063
0.31690955 15.03851751 -21.84451231
-0.00019862 0.00044273 -0.00005444
-0.02115997 0.02177035 -0.01055845
9.78511372 -7.03781846 -0.50225540
0.00034242 0.00068586 0.00001161
-0.01003468 -0.02750068 -0.00872988
9.35761362 -4.23274308 -0.32769478
0.00073722 0.00008613 0.00019037
-0.00857385 0.01825142 -0.00261160
-17.10341277 -6.50533812 6.23631359
0.00033944 0.00032092 0.00008438
0.00853605 0.00900244 -0.00776601
-18.00021095 -5.30762247 3.78566487
0.00102477 -0.00007984 -0.00042596
0.01557356 -0.00434526 -0.00006651
-14.20835809 -0.88754970 18.90991576
0.00022517 -0.00034700 0.00051024
-0.00134364 -0.01255775 0.03481333
-15.18936581 -0.21078460 21.59603073
0.00001326 -0.00055456 -0.00000455
0.00151237 -0.00379014 0.00532866
-0.20267931 2.89279099 -3.33334087
-0.00053094 -0.00082514 0.00034877
0.00412159 0.00167388 -0.01898966
1.25246830 2.25908472 -5.87766069
0.00037076 -0.00039890 0.00080110
-0.00994728 0.00352893 0.01314463
20.26315819 -8.93881233 -5.98354482
0.00028824 0.00071572 -0.00104063
-0.01425499 -0.00171844 0.00693094
22.52274096 -9.11310958 -4.42578483
0.00039851 0.00081847 -0.00065282
0.00269835 -0.00720601 0.01315190
4.61244645 -11.23098033 6.41664208
-0.00132756 -0.00005244 -0.00030550
-0.04801450 0.00229324 0.01189651
2.38413928 -11.18623512 8.60602609
0.00019497 0.00069272 -0.00001147
0.01855671 0.00362275 -0.03897435
-2.61283945 -3.42141515 -20.25394562
0.00061275 -0.00042565 0.00068415
0.02587417 0.03736828 0.01599738
-3.02082716 -1.70211961 -17.92138904
-0.00074056 -0.00067991 0.00033674
0.00210093 0.00522731 0.01099356
1.31319118 5.67818733 -11.25891003
0.00010966 -0.00026681 0.00081469
-0.05207658 -0.00705984 -0.00564813
-1.01820678 4.55168790 -9.76976122
0.00014088 0.00084515 -0.00041700
-0.01414304 -0.01785471 0.03437029
-3.97245035 17.05388932 14.67183823
0.00012709 0.00009389 -0.00020591
-0.02589871 -0.04091023 -0.01529855
-6.59842272 16.08397229 13.44609210
0.00010508 0.00002671 -0.00037204
0.00784774 0.00147063 0.00944428
-5.18966729 2.11370839 -6.64367362
0.00058401 0.00030976 -0.00050391
0.00074655 0.00314616 0.00048285
-5.24607760 2.03556675 -9.62109329
0.00039314 0.00024433 -0.00045897
-0.00274858 0.02174320 0.01536785
-9.20510759 -1.60172132 -4.37033572
0.00043618 0.00019264 0.00017049
-0.00589389 -0.03481141 -0.00688678
-9.53553816 0.71385256 -3.01927234
-0.00046330 -0.00080828 0.00052847
-0.01937375 0.02940309 0.03180569
2.33691739 29.12048562 4.51226441
0.00032482 -0.00027782 0.00002763
0.02767729 -0.03590651 0.01416897
2.04572973 28.02644536 7.09506055
-0.00080765 -0.00067396 -0.00019114
0.00022318 -0.00604424 0.01508300
6.81343957 -9.58793159 -2.66056580
-0.00153243 0.00072877 0.00120302
0.02291462 -0.00867437 0.01240228
8.96222963 -11.12159353 -1.11412027
-0.00038907 -0.00104643 -0.00054344
-0.00958408 -0.00621453 -0.00074176
-5.14107530 -0.18622960 9.27698183
0.00043600 0.00029730 -0.00104670
-0.03321617 0.01753986 0.00762203
-8.03499759 1.09894423 9.93427024
-0.00042137 0.00063486 -0.00001509
0.00181061 -0.00978838 -0.00081644
18.98139576 9.72958031 7.54802784
-0.00008562 -0.00006926 -0.00095601
0.02093431 -0.00752953 -0.01945730
21.60465902 10.00345291 5.99189078
-0.00094832 -0.00083083 0.00001368
0.00393589 0.00540148 0.00886611
-3.30106096 0.62572467 -22.49388446
-0.00084511 -0.00017290 0.00119348
0.00517444 -0.00480001 0.03188571
-5.24479777 0.29376953 -24.67333731
0.00118212 -0.00017182 -0.00009583
0.03092301 0.00972858 0.00697377
-12.79419158 9.57984316 10.59838303
0.00023395 0.00023474 -0.00055692
0.00328711 0.00371503 -0.00935202
-13.84722651 9.48325003 7.81042389
-0.00055677 -0.00048578 0.00020910
0.00677690 -0.00252909 0.01033103
-13.53784096 4.08070536 -4.82766449
0.00076602 -0.00135196 -0.00036057
-0.00345356 0.00639004 -0.00092713
-15.17759044 6.57508448 -4.60700849
-0.00032164 -0.00038648 0.00122093
0.01120553 -0.01119433 0.00220932
-5.35313874 -15.92318600 20.97237168
-0.00009660 0.00031576 -0.00000172
-0.01684658 -0.01426346 0.00571544
-2.96292013 -15.15777414 19.70524184
0.00031934 0.00078295 0.00017201
0.01006315 0.00174603 -0.01396173
-6.52150600 6.82333954 -6.59920612
0.00023261 0.00058437 -0.00003684
0.00479101 0.00107740 -0.00197277
-8.09788422 9.16085614 -5.78366615
-0.00092452 -0.00022487 -0.00117182
0.02060565 0.00148108 -0.00778580
-21.01963957 30.80906724 0.15857685
0.00000852 -0.00071127 0.00036731
-0.01067392 0.00012461 -0.01295837
-18.13672802 30.24069246 0.45695655
0.00000662 -0.00080741 -0.00126028
-0.00565129 0.00210053 0.00679045
8.90235853 3.03328151 6.95525973
0.00056502 0.00035456 0.00087581
0.01478604 0.00944252 0.00725891
9.66573733 5.44061406 8.53321088
-0.00069832 0.00108240 0.00048443
-0.00470201 0.01441935 -0.00096184
8.54204346 17.78609881 -12.34185714
-0.00020209 -0.00033286 -0.00019113
-0.01780966 -0.01134026 0.00309838
8.55557536 15.17764612 -11.45976399
-0.00015694 -0.00055931 -0.00026060
-0.00247349 -0.01045396 0.00559271
13.00360456 5.75398344 0.04285433
0.00142955 -0.00060062 0.00036905
0.00859655 -0.01060145 0.00740737
14.19371645 3.11153009 0.99416295
-0.00114606 -0.00029173 0.00129701
-0.01339895 0.02515745 -0.01533479
-4.75040317 11.98398320 -2.63381950
-0.00046328 0.00168426 0.00000206
0.03323720 0.01914791 -0.05074650
-5.32317230 10.13504220 -0.91824083
-0.00046421 0.00025796 -0.00024304
-0.01129370 0.00276983 0.01458380
7.86355191 12.84029862 4.71437793
0.00035875 -0.00023479 -0.00034615
-0.01737993 0.06250932 -0.01040720
10.21366133 11.18925691 4.56947403
-0.00027869 -0.00057073 0.00012062
0.00815714 -0.00513242 -0.00130920
19.19985720 -10.77538961 -9.09143321
0.00057335 0.00129684 0.00024107
-0.01804458 0.01192502 0.02532319
20.57046272 -12.85591064 -10.35064367
0.00035017 -0.00109363 0.00049834
0.00417753 -0.00715351 -0.00666286
19.19790290 -4.94714301 -1.73483203
0.00080395 -0.00021272 -0.00048592
0.00024253 0.00325526 -0.02384851
18.27866531 -7.34440558 -0.20170979
0.00017655 0.00034038 -0.00005989
0.00571758 0.01500476 -0.00257452
14.72843491 8.96504971 9.28126847
-0.00057651 -0.00102369 -0.00003486
0.00448219 -0.00730670 0.00314969
16.60680842 7.91480250 11.25532848
-0.00016800 0.00029019 -0.00032518
-0.00065536 0.00026014 0.00532464
2.87757993 -16.02897976 17.49156441
0.00018690 -0.00108860 -0.00063668
-0.00949170 0.01619234 -0.00661225
3.24515731 -12.87805281 17.10400554
-0.00000973 0.00037414 -0.00061742
0.00339827 -0.03565683 -0.00224777
-4.51886510 -4.27246258 -13.69237446
-0.00065618 0.00057368 -0.00000545
0.00306855 0.01113653 0.00067043
-2.11263207 -2.32657955 -13.36457390
-0.00056340 -0.00046515 -0.00014028
-0.01060036 -0.00657380 -0.00665341
16.11721479 -7.38591974 -14.76783280
0.00051260 -0.00066832 -0.00011117
0.00616244 -0.00260688 0.00085943
17.27555423 -7.37605728 -11.89740412
-0.00005271 0.00069186 0.00021398
-0.01065775 0.00991028 -0.00997302
9.17120792 -4.22581496 5.52652253
-0.00004244 0.00012877 0.00112486
-0.00472866 -0.00174257 -0.00998712
12.17272772 -4.14578527 5.76747996
-0.00003830 0.00135614 -0.00105254
-0.01465059 -0.00207255 -0.00259923
-20.98891315 -0.31344959 24.78202709
-0.00022537 -0.00086475 0.00074749
0.00952125 0.02796198 0.01062493
-20.10439700 2.64091731 25.17765873
-0.00022176 0.00000463 -0.00022930
-0.02104961 0.02418032 0.00290345
24.75404962 -2.36077965 -6.94626921
0.00089411 0.00021413 0.00022687
0.00593634 -0.00112632 -0.00791203
24.00580633 -0.61564185 -9.27648714
-0.00020100 0.00012222 0.00068959
0.00191513 -0.00062867 0.01155003
12.39424115 -10.00867128 -9.48540260
-0.00004045 0.00102804 0.00085320
-0.01322876 0.00962036 -0.02202387
12.59897234 -8.50265439 -12.06375755
0.00049512 -0.00016077 0.00007984
-0.01201519 -0.01716498 0.01071847
-8.97931925 -9.31157713 18.37755766
0.00130869 -0.00092226 -0.00019260
-0.00321756 -0.00886186 -0.01298556
-11.51152114 -9.34387942 16.93593993
-0.00089922 0.00083201 0.00062806
0.01015160 -0.00715025 0.00745125
8.61144324 0.25031423 -29.96261960
0.00054268 0.00025545 0.00084443
-0.00689289 0.00934417 0.00388969
5.62525016 0.31592551 -29.26197392
-0.00060229 -0.00099289 -0.00043718
0.00885374 0.00096464 -0.00254154
12.58875962 19.67213356 12.43440809
0.00019094 -0.00039693 -0.00000269
-0.00232768 -0.02323785 0.00570658
13.22967352 17.63578701 10.49173788
-0.00105645 0.00060776 -0.00059726
-0.01110769 -0.00245107 0.03626443
27.84578197 7.70558653 -11.59035884
-0.00033095 -0.00014731 0.00003890
-0.01467966 -0.00247251 0.00565304
25.74533032 7.18186064 -9.40728499
0.00031571 0.00035840 -0.00002544
0.01345410 0.00850996 0.01682257
-6.99010778 4.52502205 6.64327555
0.00025195 -0.00012996 -0.00012804
-0.00162825 -0.00131747 -0.00559969
-8.83654617 8.67563771 3.87924964
0.00018831 -0.00014649 -0.00000669
-0.00484639 -0.00268561 -0.00285681
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07986336
0.31689889
422.25187937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3107308448 (a.u.)
total exchange computation time: 3.0152311325 s
-153.6985880024
-931.39958333
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3109466504 (a.u.)
total exchange computation time: 3.0157549381 s
-153.6977746405
Anderson extrapolation: theta=1.3468823057 (1.3468823057)
-931.39979413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3111794597 (a.u.)
total exchange computation time: 3.0158970356 s
-153.6972435619
Anderson extrapolation: theta=0.0508718057 (0.0508718057)
-931.39991860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3111417486 (a.u.)
total exchange computation time: 3.0176060200 s
-153.6977236483
Anderson extrapolation: theta=1.9037766536 (1.9037766536)
-931.39992301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3110520055 (a.u.)
total exchange computation time: 3.0167198181 s
-153.6987727312
Anderson extrapolation: theta=0.2164258451 (0.2164258451)
-931.39992752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3110270803 (a.u.)
total exchange computation time: 3.0160260201 s
-153.6990241471
Anderson extrapolation: theta=1.8821856686 (1.8821856686)
-931.39992835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3109930958 (a.u.)
total exchange computation time: 3.0179049969 s
-153.6993612096
Anderson extrapolation: theta=0.2849157963 (0.2849157963)
-931.39992934
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3109963770 (a.u.)
total exchange computation time: 3.0155289173 s
-153.6993266196
Anderson extrapolation: theta=1.3153373989 (1.3153373989)
-931.39992955
30.225856 66.224999 -251.580476
545.059026 1080.844268 -416.588551
575.284882 1147.069267 -668.169027
1446.779336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3110095986 (a.u.)
total exchange computation time: 3.0160291195 s
677.90773748
-1081.68198959
89.87801136
-390.52682809
-174.66585124
77.12936689
551.60419304
0.00000000
-931.39992968
3.49401808 -31.13124334 -3.84753382
-0.00026261 0.00049792 0.00008233
0.01003797 -0.01139714 -0.00315492
-11.20763232 2.11765117 -9.37482019
-0.00001888 -0.00019705 -0.00016735
-0.00853911 0.00139179 -0.02626670
-36.85606803 2.03729234 4.00959978
0.00042612 0.00016702 0.00014883
-0.03304881 -0.02021302 0.00839037
-7.73604992 -3.66136686 2.85888483
-0.00014459 -0.00016920 -0.00030075
-0.01180815 -0.01717188 -0.00090048
2.40087210 0.00390577 9.65011734
0.00012645 0.00015825 -0.00010957
0.02079868 -0.03110626 0.00457406
-31.32431412 1.39683319 3.49688158
-0.00025586 0.00001271 0.00007236
0.01228866 -0.00560170 0.00959453
16.55442661 13.20798514 -17.66138554
0.00020983 0.00012938 0.00007104
-0.01370927 -0.01139475 -0.01496278
-3.37763933 4.85381387 3.93349079
-0.00023530 -0.00010459 -0.00062970
0.01799272 0.00983322 0.01853167
4.83069235 17.34417256 -6.69422426
0.00004259 -0.00001217 -0.00017456
0.02710410 -0.00310785 -0.04458786
8.32504111 7.53432927 -21.29492235
0.00014988 0.00037099 -0.00013318
-0.01928060 -0.01273780 -0.02548407
20.06780304 18.83668649 -5.31971347
0.00056970 0.00029109 0.00005658
-0.02347120 0.01397617 0.01687513
2.01281244 14.62942750 -21.39232092
-0.00014214 -0.00018541 0.00007450
0.00612383 -0.00130879 0.00295657
10.56915395 -5.51878937 0.02353709
0.00011570 0.00003931 -0.00006468
0.03219540 0.01310370 0.01933718
-16.44198556 -5.60127744 4.75288592
-0.00003257 -0.00014073 -0.00013926
-0.01910858 -0.00646267 0.01080841
-14.19721902 -1.49026511 20.75565340
-0.00003894 0.00029362 -0.00015886
-0.00362754 0.01745612 -0.04124835
0.57684113 3.65497408 -4.83959838
-0.00044220 0.00011053 -0.00012124
0.00271344 -0.00974937 0.01510573
20.72636374 -9.57724733 -4.33311873
-0.00056857 -0.00008299 -0.00026177
0.00945763 0.01018788 -0.02645787
2.74116766 -10.86156000 6.74408280
0.00003598 -0.00003100 0.00005892
0.02219217 -0.00410236 0.02771928
-1.89920660 -1.80912864 -19.33858954
-0.00021383 -0.00009530 0.00008415
-0.02372796 -0.03932232 -0.02493494
-0.64432749 5.31814737 -11.31264468
-0.00014533 0.00036557 -0.00011814
0.06004316 0.02759703 -0.03393417
-4.87751197 15.50063369 13.83704720
0.00006888 0.00014944 0.00065821
0.01984635 0.03761866 0.01865939
-4.97922932 3.19237971 -8.10168569
-0.00000136 0.00022333 -0.00016344
0.00118094 -0.00844642 -0.00022023
-8.52022119 0.02357354 -4.27354759
0.00029255 -0.00018100 0.00027819
0.02804874 0.00933823 -0.01671217
3.05487142 27.69113334 5.63149271
0.00011546 -0.00024824 -0.00017917
-0.02568667 0.03925473 -0.02668297
8.61426486 -9.61474858 -2.09091883
-0.00010137 0.00004068 0.00000859
-0.03008361 0.00360184 -0.00865174
-6.22993115 1.32937214 10.05781352
0.00020076 -0.00025316 0.00012385
0.02038802 -0.02670482 -0.03098729
19.84489109 9.54746887 5.86710649
0.00036177 0.00007216 -0.00020188
-0.02339924 0.00121202 0.01325202
-3.38519938 0.54986974 -24.27029053
-0.00014865 -0.00016370 -0.00016725
-0.03224386 -0.00385018 -0.02632940
-13.66504899 8.49832026 9.39995201
-0.00012152 0.00013595 -0.00020917
-0.00815642 -0.00414985 -0.00242209
-13.65045051 5.68938817 -3.96311782
0.00027020 -0.00004015 -0.00010079
-0.00529462 -0.00575998 -0.00569978
-3.77969334 -15.06842640 21.30437670
0.00000895 -0.00000469 0.00012292
0.00706096 0.00890500 0.00489621
-6.39909306 8.64054413 -6.38439385
-0.00018952 0.00004715 0.00029014
-0.01931842 -0.00343256 0.00355458
-19.72822696 30.49416952 1.35646803
0.00000950 0.00038983 0.00022881
0.02282938 -0.00053336 0.00300039
10.23365502 3.76860783 8.08339943
-0.00023535 0.00010339 -0.00022150
-0.00445965 -0.00899691 0.00139806
7.32463619 16.51754682 -11.66654719
-0.00026779 0.00007793 0.00023046
0.01523113 0.01681737 0.00155676
14.08127528 4.34367312 -0.45570782
0.00004671 -0.00025727 0.00024127
0.00638525 -0.01922483 0.00374854
-5.87761650 11.87327693 -1.30825390
-0.00023034 -0.00010992 -0.00006023
-0.02018152 -0.00863413 0.03383614
8.42344743 11.21276638 4.92417529
0.00019614 -0.00062429 0.00005338
-0.00037773 -0.04731994 0.01652143
19.89683957 -11.18744588 -10.67110357
0.00006971 0.00002639 -0.00035134
0.01511607 -0.01542937 -0.01497615
19.27747279 -5.73586679 -0.12875162
0.00007104 0.00015694 0.00025674
-0.00990725 -0.02490614 0.01941061
15.84343726 7.54842507 9.64969021
-0.00024485 -0.00001469 0.00011330
-0.00830678 0.00691425 -0.00830081
3.74579297 -14.63596722 16.59506848
-0.00018248 -0.00000287 0.00006590
0.00570944 0.02009867 0.00449370
-3.79460525 -2.50843056 -14.11213014
-0.00015855 0.00026306 -0.00040137
0.01821378 0.02163828 0.00469688
16.27830109 -6.40070241 -13.15800573
-0.00003697 0.00009208 0.00011046
-0.00615780 -0.03399978 -0.00803020
10.57442660 -4.54572733 6.63365204
-0.00008825 -0.00024609 0.00042118
0.03133727 0.00538138 0.00970374
-19.62983849 0.93830187 25.23044958
-0.00012233 0.00023806 0.00024399
0.00734004 -0.05687159 -0.00581236
23.97984192 -0.74242651 -7.40016896
-0.00018391 0.00003308 -0.00005935
0.00096276 0.00148412 -0.01114757
11.52689841 -9.74029404 -11.15501231
0.00003654 -0.00002920 0.00015303
0.02835519 0.00796252 0.01993030
-9.76430781 -9.91245658 16.80685088
0.00001241 0.00013923 0.00029954
-0.00987403 0.01418386 -0.00185765
7.32372680 -0.02534055 -28.64635607
-0.00002167 -0.00040716 -0.00011092
-0.00274708 -0.00317196 0.00414486
12.59751155 17.79818046 12.30011783
0.00005371 0.00019115 0.00007604
0.01480910 0.02951444 -0.03955279
26.00449529 7.57150943 -11.16036808
0.00015264 0.00027047 -0.00001664
0.00285333 0.00043547 -0.01263697
4.14549027 -29.76207728 -4.85856773
0.00100698 -0.00012024 -0.00024346
0.00277454 0.00982554 -0.01488705
3.24726004 -30.40108191 -2.18442289
-0.00039610 -0.00001081 -0.00070810
-0.00724525 0.00007667 0.01668111
-9.58501819 2.79775267 -8.92697389
-0.00069821 -0.00109971 -0.00028775
0.00487526 0.00261808 0.00689065
-11.63341794 2.84590230 -11.10980390
0.00021550 0.00017466 0.00062298
0.00493972 -0.01105320 0.01807604
-36.82235140 3.51911509 2.97154164
-0.00036475 0.00062904 -0.00024105
-0.00220104 0.01102373 -0.00262155
-38.74905216 1.54340429 4.09389864
0.00109687 0.00021565 0.00030160
0.03725840 0.00809892 -0.00679441
-9.12037489 -4.69336660 2.11392135
0.00038320 -0.00087781 0.00064519
-0.00359032 0.01449023 -0.00612086
-6.38574593 -4.85698355 2.60411524
-0.00009870 -0.00036314 0.00014057
0.00923438 0.00232484 0.00625842
3.41204392 -1.24378783 8.71963687
0.00048016 -0.00047968 -0.00114457
-0.00580909 0.00941172 0.01093549
1.54740936 0.83279528 8.32785542
-0.00029140 -0.00038089 0.00049691
-0.01428095 0.02032249 -0.01735199
-30.68197206 -0.31208357 3.61874664
0.00112258 -0.00058698 -0.00083721
0.00823453 -0.00607505 -0.00673120
-33.08578402 1.15015905 3.83227977
0.00059846 -0.00023578 0.00084258
-0.01594937 0.00686125 -0.00175464
15.23255578 12.11305005 -18.64316247
0.00008086 0.00040582 0.00065742
0.03790460 0.01933175 0.03136523
18.05891238 12.10090035 -17.32985527
-0.00016133 -0.00099360 -0.00053126
-0.02276154 0.00404890 -0.01032598
-2.39664819 6.17525474 4.87444487
0.00075327 -0.00061558 -0.00013310
-0.01965028 -0.01756199 -0.01238233
-3.58905474 5.66138329 2.31348435
0.00059756 -0.00069401 -0.00008064
-0.00081346 0.00058110 -0.00582585
6.04102737 17.41620492 -8.28857698
-0.00001702 0.00105161 -0.00011274
-0.03248692 -0.00841151 0.03554218
5.61632047 18.46710243 -5.51306045
0.00000775 -0.00132052 -0.00047659
0.01142170 0.00523670 0.00567514
8.96754098 6.44292294 -22.66301432
-0.00057597 0.00031129 -0.00045767
-0.00375938 0.01037998 0.00702539
9.57143328 7.80827266 -20.02372767
-0.00074741 0.00115007 -0.00034524
0.01644008 0.00145185 0.00937343
19.55927733 20.40973740 -4.38547258
-0.00036858 -0.00093246 -0.00034624
0.00502269 -0.02014013 -0.00365716
21.29562753 19.52758564 -6.44233434
0.00060906 -0.00094945 0.00033869
0.01348317 0.00675750 -0.00955597
1.63981402 13.13684626 -20.44793993
0.00038770 0.00016429 0.00105744
0.01302992 -0.01432228 0.01086530
0.31328177 15.04582555 -21.84565250
-0.00028054 0.00052838 -0.00009504
-0.01893615 0.02015496 -0.00931347
9.78994255 -7.02837324 -0.50234870
0.00029670 0.00056415 -0.00002713
-0.01234674 -0.03207723 -0.01023479
9.36840916 -4.23089186 -0.32491933
0.00069774 0.00016526 0.00017841
-0.01075050 0.02048202 -0.00324157
-17.09805956 -6.50024848 6.23734138
0.00037225 0.00035645 0.00005380
0.00752502 0.00838912 -0.00720409
-17.98436225 -5.30895319 3.77927339
0.00107898 -0.00009664 -0.00043058
0.01096688 -0.00388117 -0.00219397
-14.20502168 -0.89313946 18.91863619
0.00021890 -0.00039491 0.00064489
-0.00172628 -0.01089460 0.03109938
-15.18912062 -0.21921910 21.59612581
0.00001480 -0.00056356 0.00002051
-0.00075893 -0.00061798 0.00693680
-0.21051712 2.88046524 -3.32869126
-0.00051050 -0.00081254 0.00026389
0.00588354 0.00449105 -0.02255968
1.25772484 2.25320931 -5.86524144
0.00032962 -0.00038250 0.00085389
-0.01018826 0.00450051 0.01269943
20.26704490 -8.92812924 -5.99894196
0.00023127 0.00070444 -0.00100244
-0.01363143 -0.00380335 0.01176477
22.52880135 -9.10105327 -4.43517416
0.00039503 0.00078440 -0.00059686
-0.00440243 -0.00947185 0.01424046
4.59106169 -11.23169661 6.41242411
-0.00150952 -0.00004552 -0.00025858
-0.04105585 0.00109339 0.01106938
2.38763248 -11.17573326 8.60465974
0.00026997 0.00070643 -0.00016817
0.01815687 0.00308503 -0.03773132
-2.60285531 -3.42665485 -20.24319322
0.00071688 -0.00027468 0.00074688
0.02509501 0.03653323 0.01471080
-3.03187121 -1.71215809 -17.91600110
-0.00072653 -0.00065847 0.00037583
0.00476819 0.00526576 0.00814434
1.31324022 5.67396890 -11.24686272
-0.00010367 -0.00029441 0.00078893
-0.05234526 -0.00645487 -0.00696428
-1.01652699 4.56381809 -9.77496305
0.00007936 0.00076775 -0.00026823
-0.01597257 -0.02003695 0.03845437
-3.97133758 17.05404413 14.66828073
0.00002213 -0.00007059 -0.00026644
-0.02548338 -0.03960589 -0.01432763
-6.59660598 16.08441793 13.44080085
0.00013861 0.00003275 -0.00033262
0.00856125 0.00148815 0.00985477
-5.18088426 2.11845121 -6.65121753
0.00058632 0.00031899 -0.00049693
0.00038399 0.00137233 0.00293415
-5.24026469 2.03989802 -9.62750692
0.00038173 0.00033354 -0.00039485
-0.00283618 0.02192352 0.01601715
-9.19874543 -1.59989843 -4.36798944
0.00041029 0.00004372 0.00014095
-0.00678270 -0.03808667 -0.00757075
-9.54308131 0.70262935 -3.01037061
-0.00053678 -0.00069104 0.00065222
-0.01659704 0.02798843 0.02876844
2.34263781 29.11521811 4.51311300
0.00043693 -0.00042226 0.00008382
0.02720053 -0.03480003 0.01333806
2.03362178 28.01615081 7.09265564
-0.00080257 -0.00070005 -0.00013556
0.00226557 -0.00672975 0.01212294
6.79115529 -9.57726585 -2.64214048
-0.00142695 0.00069279 0.00125579
0.02871660 -0.00894014 0.01342979
8.95609986 -11.13748035 -1.12229453
-0.00042907 -0.00106474 -0.00055017
-0.00999683 -0.00274854 -0.00255382
-5.13555308 -0.18123255 9.26151484
0.00029902 0.00036815 -0.00101416
-0.03384004 0.01713731 0.00830942
-8.04126259 1.10816717 9.93401880
-0.00040579 0.00059520 -0.00001841
0.00581371 -0.00962360 -0.00080654
18.98075293 9.72831074 7.53309152
-0.00000251 -0.00009949 -0.00102948
0.01975137 -0.00727125 -0.01650758
21.59055486 9.99115593 5.99236759
-0.00090997 -0.00080261 0.00005170
0.01483503 0.00841279 0.00974955
-3.31357909 0.62298406 -22.47500514
-0.00082447 -0.00019339 0.00129877
0.00492920 -0.00522792 0.01965368
-5.22611832 0.29149033 -24.67456113
0.00129354 -0.00013350 -0.00007082
0.02361366 0.00902920 0.00527280
-12.79058162 9.58347805 10.58974267
0.00024759 0.00024997 -0.00059473
0.00338924 0.00374045 -0.00915900
-13.85537041 9.47588583 7.81387696
-0.00052963 -0.00049181 0.00024421
0.00651024 -0.00042080 0.00685526
-13.52645644 4.06062181 -4.83310152
0.00074900 -0.00130800 -0.00035563
-0.00488007 0.01512759 0.00334786
-15.18207163 6.56894429 -4.58862690
-0.00027721 -0.00043238 0.00122721
0.01054219 -0.01127464 0.00086557
-5.35510399 -15.91888666 20.97252106
-0.00016437 0.00025729 0.00002077
-0.01632488 -0.01435645 0.00529291
-2.95782171 -15.14597641 19.70739418
0.00035865 0.00078986 0.00011648
0.00918309 0.00163979 -0.01322137
-6.51786997 6.83213808 -6.59981913
0.00025173 0.00058059 -0.00004579
0.00456643 -0.00292848 -0.00241163
-8.11112056 9.15752851 -5.80148205
-0.00083877 -0.00021891 -0.00120294
0.02136758 0.00143568 -0.00744820
-21.01983878 30.79840201 0.16368941
-0.00003984 -0.00071002 0.00031168
-0.01299875 0.00048854 -0.01427421
-18.13680187 30.22864575 0.43826047
-0.00002663 -0.00079688 -0.00122486
-0.01062422 0.00304936 0.01054879
8.91128697 3.03888928 6.96861934
0.00061438 0.00038760 0.00089635
0.00937341 0.00673058 0.00279488
9.65511846 5.45729190 8.54044785
-0.00071197 0.00112486 0.00047582
-0.00198154 0.00636478 -0.00325199
8.53846634 17.78075846 -12.34462913
-0.00027379 -0.00037774 -0.00017857
-0.01728607 -0.01062817 0.00304704
8.55314549 15.16893606 -11.46350160
-0.00017192 -0.00059645 -0.00023832
-0.00485948 -0.00772619 0.00531158
13.02531117 5.74464930 0.04861711
0.00145433 -0.00063049 0.00040238
0.00353609 -0.00402083 0.00890551
14.17611491 3.10792508 1.01314823
-0.00119941 -0.00018573 0.00122761
-0.01271607 0.02672837 -0.01863688
-4.75633385 12.00983385 -2.63534370
-0.00032815 0.00176083 -0.00020298
0.03290928 0.01833256 -0.04962084
-5.33048153 10.13899649 -0.92143956
-0.00050741 0.00026492 -0.00018455
-0.00985494 0.00063681 0.01404960
7.86840054 12.83869227 4.70886670
0.00029083 0.00001024 -0.00038760
-0.01586596 0.05743535 -0.00988265
10.20973093 11.18053863 4.57124317
-0.00023827 -0.00059200 0.00011402
0.01162814 -0.00527927 -0.00192095
19.20790451 -10.75557154 -9.08704114
0.00050532 0.00134159 0.00033304
-0.01525846 0.00997662 0.01969616
20.57584332 -12.87253429 -10.34337278
0.00035946 -0.00110508 0.00046853
0.00036979 0.00154989 -0.00792640
19.20996960 -4.95023413 -1.74285165
0.00080564 -0.00020284 -0.00057516
0.00058224 0.00158241 -0.01983396
18.28148883 -7.33884002 -0.20268700
0.00019889 0.00039938 -0.00006975
0.00521608 0.01387163 -0.00225281
14.71992468 8.94947048 9.28084209
-0.00056293 -0.00104681 -0.00002337
0.00216367 -0.00401060 0.00247438
16.60426832 7.91916336 11.25061388
-0.00016877 0.00029255 -0.00029933
0.00028076 0.00089306 0.00733243
2.88009255 -16.04481257 17.48181163
0.00014766 -0.00101808 -0.00066377
-0.00971504 0.01832853 -0.00665233
3.24511545 -12.87353341 17.09467536
0.00000291 0.00022627 -0.00062504
0.00278892 -0.03672575 -0.00148384
-4.52861375 -4.26351611 -13.69243565
-0.00064427 0.00061805 -0.00000311
0.00276192 0.01058375 0.00047305
-2.12140794 -2.33375829 -13.36688191
-0.00060166 -0.00049082 -0.00016555
-0.00812775 -0.00599007 -0.00571677
16.12509258 -7.39602442 -14.76947396
0.00053800 -0.00067549 -0.00010310
0.00627372 -0.00090412 0.00308693
17.27443703 -7.36537563 -11.89450009
-0.00009432 0.00073015 0.00017529
-0.00971325 0.00883154 -0.00896284
9.17042640 -4.22393678 5.54308944
-0.00006792 0.00012274 0.00108050
-0.00774202 -0.00121138 -0.01172828
12.17170424 -4.12550673 5.75161216
-0.00010899 0.00134353 -0.00105486
-0.01995158 -0.00409773 0.00146509
-20.99200196 -0.32556402 24.79356506
-0.00018191 -0.00074430 0.00079186
0.01175532 0.03100165 0.01109345
-20.10836841 2.64172768 25.17430813
-0.00030888 0.00010543 -0.00021770
-0.02159541 0.02516177 0.00277817
24.76764325 -2.35760215 -6.94310859
0.00091564 0.00021351 0.00019288
0.00460074 0.00082128 -0.00872875
24.00284995 -0.61382783 -9.26578934
-0.00019293 0.00011994 0.00072737
0.00203922 -0.00048552 0.00694193
12.39322906 -9.99295590 -9.47327952
-0.00009684 0.00106658 0.00075975
-0.01437342 0.00924827 -0.02371800
12.60603092 -8.50559190 -12.06223151
0.00044446 -0.00023205 0.00012395
-0.01278203 -0.01772713 0.01087386
-8.95978746 -9.32568258 18.37427072
0.00129471 -0.00095649 -0.00024219
-0.00362700 -0.00789658 -0.01128946
-11.52469840 -9.33161832 16.94558918
-0.00084214 0.00079830 0.00065942
0.01779243 -0.00935323 0.00789666
8.61937218 0.25443234 -29.94983397
0.00051487 0.00029386 0.00085687
-0.00671852 0.00945584 0.00220180
5.61648708 0.30106168 -29.26860954
-0.00055808 -0.00098952 -0.00044578
0.01278990 0.00068573 -0.00166893
12.59155238 19.66546760 12.43454260
0.00018123 -0.00048343 0.00002217
-0.00242387 -0.01910484 0.00646243
13.21348639 17.64482833 10.48389030
-0.00110197 0.00059673 -0.00044702
-0.01117643 -0.00294943 0.03727646
27.84036787 7.70330106 -11.58960209
-0.00038559 -0.00015689 0.00006082
-0.01206845 -0.00221306 0.00507373
25.75047832 7.18749744 -9.40715103
0.00037051 0.00039307 0.00004384
0.01336689 0.00846130 0.01708610
-6.98633296 4.52306905 6.64133991
0.00025135 -0.00013040 -0.00013004
-0.00172765 -0.00113668 -0.00555638
-8.83372988 8.67343576 3.87914432
0.00018722 -0.00014709 -0.00000734
-0.00459508 -0.00255057 -0.00271699
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07987312
0.32005656
426.45931551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3159441819 (a.u.)
total exchange computation time: 3.0160040855 s
-153.7208937895
-931.40212902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3161533990 (a.u.)
total exchange computation time: 3.0149259567 s
-153.7201395906
Anderson extrapolation: theta=1.3450544599 (1.3450544599)
-931.40233727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3163747526 (a.u.)
total exchange computation time: 3.0186700821 s
-153.7197029317
Anderson extrapolation: theta=0.0505744741 (0.0505744741)
-931.40246009
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3163346975 (a.u.)
total exchange computation time: 3.0166909695 s
-153.7201962702
Anderson extrapolation: theta=1.9009362799 (1.9009362799)
-931.40246443
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3162398640 (a.u.)
total exchange computation time: 3.0196299553 s
-153.7212707215
Anderson extrapolation: theta=0.2160574693 (0.2160574693)
-931.40246885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3162133410 (a.u.)
total exchange computation time: 3.0150959492 s
-153.7215277496
Anderson extrapolation: theta=1.8869668202 (1.8869668202)
-931.40246967
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3161761358 (a.u.)
total exchange computation time: 3.0157558918 s
-153.7218751154
Anderson extrapolation: theta=0.2845065676 (0.2845065676)
-931.40247064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3161785099 (a.u.)
total exchange computation time: 3.0165348053 s
-153.7218418097
Anderson extrapolation: theta=1.3132407521 (1.3132407521)
-931.40247085
30.283777 66.148917 -251.534997
545.033648 1080.850056 -416.583561
575.317425 1146.998973 -668.118558
1446.713237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1625743645
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3161906079 (a.u.)
total exchange computation time: 3.0156550407 s
677.98613124
-1081.84602291
89.86906022
-390.41652307
-174.67892586
77.21949447
551.60419304
0.00000000
-931.40247098
3.49011767 -31.12381846 -3.84631098
-0.00025713 0.00049162 0.00007891
0.01125033 -0.01311318 -0.01017576
-11.20794840 2.11470075 -9.37743169
-0.00002478 -0.00019727 -0.00018064
-0.01443406 -0.00222497 -0.02542419
-36.84980377 2.03971973 4.01186466
0.00040973 0.00015787 0.00015222
-0.03068444 -0.01540307 0.00476870
-7.73826439 -3.66397110 2.85437018
-0.00015006 -0.00017796 -0.00030094
-0.00946305 -0.01688268 0.00015379
2.40284906 0.00615954 9.64849142
0.00013870 0.00014051 -0.00010741
0.02684657 -0.03788885 0.00382739
-31.32810468 1.39700224 3.49800405
-0.00024739 0.00000836 0.00007714
0.02068085 -0.01129661 0.00896965
16.55752114 13.20988191 -17.66037768
0.00020331 0.00012337 0.00006364
-0.01163447 -0.01197647 -0.01380985
-3.38109948 4.85228294 3.92411680
-0.00022548 -0.00010002 -0.00061826
0.02022540 0.00794370 0.02593662
4.83143578 17.34397809 -6.69701471
0.00005563 -0.00001481 -0.00019878
0.02358834 -0.00717423 -0.04958586
8.32721494 7.53984500 -21.29701829
0.00013872 0.00036435 -0.00014726
-0.02412730 -0.01309781 -0.02927723
20.07625802 18.84110678 -5.31879967
0.00055700 0.00029632 0.00006538
-0.02590440 0.00635650 0.01733761
2.01070390 14.62664123 -21.39119203
-0.00013956 -0.00018601 0.00007594
0.00391495 -0.00099199 0.00264165
10.57101368 -5.51814919 0.02264148
0.00013311 0.00004647 -0.00005431
0.03548497 0.01474599 0.02098868
-16.44254777 -5.60341338 4.75083869
-0.00004081 -0.00014400 -0.00013329
-0.01295046 -0.00622533 0.01240034
-14.19781711 -1.48579347 20.75311140
-0.00004011 0.00030125 -0.00017920
-0.00092553 0.01222092 -0.03786195
0.57021864 3.65659436 -4.84135878
-0.00044109 0.00010466 -0.00011264
0.00158103 -0.01306925 0.01836167
20.71787160 -9.57845292 -4.33714740
-0.00056216 -0.00007670 -0.00027671
0.01550495 0.01430070 -0.03163922
2.74179295 -10.86204085 6.74507355
0.00004537 -0.00003254 0.00007292
0.01431864 -0.00188439 0.02671146
-1.90250553 -1.81070980 -19.33742351
-0.00022644 -0.00011505 0.00007250
-0.02533444 -0.03748007 -0.02035559
-0.64627579 5.32373737 -11.31454769
-0.00011425 0.00037989 -0.00013587
0.06079208 0.02808223 -0.03501262
-4.87640216 15.50302046 13.84699226
0.00007866 0.00016830 0.00066729
0.01815601 0.03569373 0.01664897
-4.97924510 3.19569705 -8.10413817
-0.00000062 0.00021949 -0.00016424
0.00168680 -0.00648391 -0.00286814
-8.51572476 0.02089464 -4.26943927
0.00030609 -0.00017522 0.00027076
0.02459959 0.01312328 -0.01215407
3.05650419 27.68756119 5.62870225
0.00010190 -0.00022831 -0.00019169
-0.02702207 0.03825047 -0.02199259
8.61262829 -9.61412444 -2.09082338
-0.00011800 0.00004172 0.00000439
-0.03459461 0.00044168 -0.00767333
-6.22684116 1.32547170 10.05955167
0.00021027 -0.00026677 0.00010777
0.01661673 -0.02619984 -0.03152247
19.85022739 9.54855597 5.86412938
0.00034720 0.00007191 -0.00019619
-0.03326071 -0.00217308 0.00886579
-3.38755356 0.54739943 -24.27290084
-0.00016291 -0.00016528 -0.00017706
-0.02321157 -0.00231705 -0.01180092
-13.66690328 8.50034355 9.39680509
-0.00012554 0.00013319 -0.00020950
-0.00745754 -0.00659598 0.00115055
-13.64641794 5.68876370 -3.96465171
0.00026803 -0.00004509 -0.00010435
-0.00315292 -0.01345844 -0.00814849
-3.77953188 -15.06846239 21.30623938
0.00001265 -0.00000018 0.00012519
0.00735108 0.00864213 0.00393555
-6.40201033 8.64123820 -6.38002805
-0.00019949 0.00004639 0.00029199
-0.01946202 0.00047946 0.00363554
-19.72799641 30.50001489 1.35991169
0.00002280 0.00038926 0.00022965
0.02888870 -0.00166704 0.00027337
10.23010752 3.77012405 8.08008226
-0.00023665 0.00010163 -0.00021884
-0.00058005 0.00212023 0.00895345
7.32067804 16.51878063 -11.66308430
-0.00025955 0.00008561 0.00023138
0.01684033 0.01305795 0.00201280
14.08200052 4.33973997 -0.45207438
0.00005102 -0.00026918 0.00024347
0.01038507 -0.02709280 0.00483797
-5.88114947 11.87159484 -1.30902682
-0.00024057 -0.00011346 -0.00004359
-0.01960698 -0.00513516 0.03085910
8.42638812 11.20321953 4.92503976
0.00019449 -0.00064661 0.00006177
-0.00603308 -0.03949730 0.01609429
19.89794354 -11.18710951 -10.67643139
0.00007757 0.00001697 -0.00035712
0.01545801 -0.02122483 -0.00752962
19.27850024 -5.73360873 -0.12482570
0.00006609 0.00014497 0.00026542
-0.00937158 -0.02166110 0.01436050
15.83973245 7.54823144 9.65135776
-0.00024868 -0.00001218 0.00010875
-0.00657128 0.00283318 -0.00939656
3.74307781 -14.63593279 16.59607429
-0.00017935 0.00000699 0.00006804
0.00644284 0.01824712 0.00383266
-3.79691330 -2.50440115 -14.11813261
-0.00014984 0.00027407 -0.00039928
0.01568400 0.02115153 0.00345018
16.27772271 -6.39945234 -13.15637974
-0.00004040 0.00007453 0.00010545
-0.00714432 -0.03426721 -0.01147335
10.57322371 -4.54939795 6.64000719
-0.00007025 -0.00024293 0.00042554
0.03865125 0.00692989 0.00722747
-19.63164511 0.94165340 25.23408706
-0.00011897 0.00020819 0.00024093
0.00571325 -0.05927252 -0.00609548
23.97708695 -0.74192463 -7.40110216
-0.00018302 0.00003324 -0.00006356
0.00251871 -0.00086129 -0.00523616
11.52755588 -9.74070135 -11.15264003
0.00005139 -0.00002495 0.00016361
0.02940533 0.00858100 0.02124162
-9.76415973 -9.91031342 16.81133684
0.00000566 0.00014673 0.00029797
-0.01638461 0.01498812 -0.00424821
7.32339118 -0.03146012 -28.64800387
-0.00002406 -0.00040877 -0.00010867
-0.00655887 -0.00310466 0.00459599
12.59837427 17.80116153 12.30110580
0.00006129 0.00020518 0.00005544
0.01466740 0.02505135 -0.04053630
26.00679586 7.57556814 -11.16066642
0.00015331 0.00027059 -0.00002283
-0.00023536 0.00001892 -0.01141617
4.16068004 -29.76357981 -4.86267584
0.00101656 -0.00008225 -0.00030168
0.00191420 0.00877284 -0.01361213
3.24109652 -30.40124176 -2.19453318
-0.00042730 -0.00000463 -0.00062840
-0.00802565 0.00295044 0.02233089
-9.59534190 2.78133730 -8.93107895
-0.00066389 -0.00108306 -0.00025491
0.01192350 0.00553031 0.00918169
-11.63003401 2.84818348 -11.09990529
0.00023342 0.00013127 0.00069113
0.00382886 -0.01018800 0.01528467
-36.82789016 3.52888842 2.96784557
-0.00037292 0.00066579 -0.00024582
-0.00179778 0.00696766 0.00028837
-38.73145736 1.54688722 4.09821437
0.00124287 0.00024706 0.00027465
0.03420920 0.00727485 -0.00639709
-9.11473696 -4.70608969 2.12341165
0.00036400 -0.00082014 0.00061761
-0.00580472 0.01373668 -0.00738059
-6.38694341 -4.86235941 2.60641552
-0.00006115 -0.00035204 0.00016653
0.00914352 0.00310792 0.00645230
3.41906838 -1.25069461 8.70280336
0.00044811 -0.00043078 -0.00109220
-0.00988199 0.01452633 0.01470413
1.54260080 0.82770465 8.33477732
-0.00035377 -0.00029427 0.00041975
-0.01625014 0.02207836 -0.02041684
-30.66488096 -0.32107438 3.60598221
0.00114911 -0.00059814 -0.00086549
0.00474889 0.00061080 -0.00711399
-33.07729590 1.14683267 3.84486471
0.00052336 -0.00021002 0.00083744
-0.02081304 0.00574655 -0.00076194
15.23493014 12.11972980 -18.63234005
0.00023213 0.00048307 0.00078277
0.03614397 0.01847943 0.02999571
18.05579497 12.08612040 -17.33814057
-0.00025487 -0.00097402 -0.00057286
-0.02302601 0.00553382 -0.01003699
-2.38595123 6.16548288 4.87206894
0.00066991 -0.00068989 -0.00018684
-0.02115502 -0.01881507 -0.01392599
-3.58011626 5.65099097 2.31209623
0.00059265 -0.00068514 -0.00011628
-0.00158985 0.00375833 -0.01161775
6.03977658 17.43172131 -8.28917899
-0.00014919 0.00101524 0.00003074
-0.03221367 -0.00939014 0.03469230
5.61678673 18.44745505 -5.52003540
0.00006135 -0.00128866 -0.00044120
0.01481762 0.01036056 0.01164902
8.95878618 6.44791037 -22.66966404
-0.00058883 0.00035346 -0.00042795
-0.00253309 0.01026323 0.00752115
9.56072593 7.82556818 -20.02861897
-0.00067249 0.00115632 -0.00030094
0.02023391 0.00161006 0.01231101
19.55390252 20.39513340 -4.39077827
-0.00034888 -0.00100434 -0.00035736
0.00462328 -0.01504962 -0.00178540
21.30517663 19.51355091 -6.43754674
0.00066981 -0.00091683 0.00029512
0.01625360 0.00920928 -0.01177615
1.64602886 13.13887181 -20.43174536
0.00043944 0.00010888 0.00109942
0.01229444 -0.01280401 0.00968417
0.30849347 15.05436880 -21.84736348
-0.00035194 0.00060680 -0.00012995
-0.01601596 0.01823190 -0.00777698
9.79401470 -7.02089391 -0.50306925
0.00024256 0.00042607 -0.00007133
-0.01415637 -0.03551396 -0.01139992
9.37854584 -4.22778539 -0.32234254
0.00065045 0.00025223 0.00016416
-0.01239847 0.02209353 -0.00373301
-17.09224516 -6.49464471 6.23792765
0.00040060 0.00038910 0.00002620
0.00635117 0.00759680 -0.00630848
-17.96784142 -5.31052176 3.77274745
0.00111362 -0.00011139 -0.00044447
0.00598656 -0.00333938 -0.00460661
-14.20179108 -0.89939691 18.92926259
0.00021113 -0.00043539 0.00076234
-0.00207812 -0.00892264 0.02638941
-15.18892194 -0.22769148 21.59664602
0.00000706 -0.00055973 0.00005213
-0.00303003 0.00249544 0.00854199
-0.21799435 2.86841472 -3.32542425
-0.00048367 -0.00078897 0.00016587
0.00725208 0.00704760 -0.02542193
1.26235699 2.24760972 -5.85204389
0.00028777 -0.00036247 0.00090443
-0.01030066 0.00530191 0.01203858
20.27009620 -8.91767925 -6.01361807
0.00017674 0.00068494 -0.00094535
-0.01306059 -0.00574023 0.01618433
22.53459193 -9.08957746 -4.44369074
0.00036398 0.00074141 -0.00053671
-0.01079931 -0.01157557 0.01520643
4.56716078 -11.23234588 6.40888453
-0.00165984 -0.00004417 -0.00021590
-0.03252502 -0.00043357 0.00982663
2.39223845 -11.16504233 8.60098099
0.00034283 0.00071769 -0.00031782
0.01750661 0.00243088 -0.03552369
-2.59133319 -3.42965556 -20.23153924
0.00081714 -0.00012848 0.00080376
0.02398366 0.03503073 0.01313132
-3.04262304 -1.72187385 -17.91011403
-0.00070157 -0.00063691 0.00040316
0.00745007 0.00529044 0.00523152
1.31008122 5.66935488 -11.23524223
-0.00031621 -0.00031929 0.00075805
-0.05169661 -0.00571954 -0.00815219
-1.01582611 4.57472029 -9.77780817
0.00001129 0.00068332 -0.00010652
-0.01734546 -0.02129218 0.04070512
-3.97178658 17.05177164 14.66384515
-0.00008014 -0.00022820 -0.00032230
-0.02457703 -0.03754559 -0.01301590
-6.59426455 16.08495478 13.43611356
0.00017469 0.00003887 -0.00029163
0.00910026 0.00150872 0.01020887
-5.17207771 2.12327814 -6.65858161
0.00058720 0.00032090 -0.00047995
0.00004476 -0.00043613 0.00538060
-5.23462560 2.04557290 -9.63293891
0.00036994 0.00042283 -0.00032876
-0.00293896 0.02178440 0.01633712
-9.19279895 -1.60040974 -4.36610715
0.00038182 -0.00011547 0.00010906
-0.00715107 -0.03983704 -0.00804115
-9.55164163 0.69312145 -2.99970578
-0.00059697 -0.00058108 0.00076110
-0.01286671 0.02583497 0.02453141
2.35002525 29.10781783 4.51477903
0.00054618 -0.00056060 0.00013560
0.02627997 -0.03291629 0.01201057
2.02165268 28.00544383 7.09099370
-0.00078882 -0.00072885 -0.00009250
0.00446474 -0.00736542 0.00895821
6.77063095 -9.56714801 -2.62289209
-0.00129962 0.00065578 0.00131191
0.03361426 -0.00917449 0.01404299
8.94935741 -11.15353562 -1.13062530
-0.00047059 -0.00106885 -0.00056414
-0.01032623 0.00073513 -0.00428594
-5.13210478 -0.17518523 9.24655710
0.00016011 0.00043696 -0.00097902
-0.03415718 0.01654957 0.00889171
-8.04717129 1.11680031 9.93371793
-0.00037416 0.00055619 -0.00002170
0.00966921 -0.00947250 -0.00080369
18.98132059 9.72659555 7.51714351
0.00007489 -0.00012851 -0.00108959
0.01813641 -0.00693357 -0.01291911
21.57735989 9.97937454 5.99344192
-0.00082663 -0.00076222 0.00009337
0.02596075 0.01135770 0.01064662
-3.32579513 0.61992305 -22.45492133
-0.00080459 -0.00021559 0.00135423
0.00480534 -0.00564118 0.00749252
-5.20599168 0.28976449 -24.67546180
0.00137243 -0.00009850 -0.00005334
0.01500765 0.00810416 0.00328059
-12.78676395 9.58734217 10.58054099
0.00026166 0.00026526 -0.00063167
0.00349743 0.00374357 -0.00891905
-13.86311533 9.46849585 7.81775016
-0.00050378 -0.00048895 0.00026447
0.00614394 0.00181837 0.00306141
-13.51537100 4.04146537 -4.83833337
0.00072628 -0.00123030 -0.00033425
-0.00623953 0.02290822 0.00711645
-15.18590674 6.56211313 -4.57019227
-0.00023596 -0.00047826 0.00122794
0.00964967 -0.01118369 -0.00050622
-5.35806972 -15.91546717 20.97299484
-0.00022879 0.00019907 0.00004168
-0.01520996 -0.01414332 0.00494066
-2.95216050 -15.13407819 19.70873623
0.00039368 0.00079634 0.00006505
0.00796353 0.00152784 -0.01195553
-6.51395407 6.84075714 -6.60057993
0.00026992 0.00056046 -0.00005657
0.00433858 -0.00692273 -0.00286111
-8.12304735 9.15428888 -5.81975443
-0.00075079 -0.00021295 -0.00123237
0.02169802 0.00147995 -0.00695677
-21.02083464 30.78776672 0.16792715
-0.00009642 -0.00070762 0.00025186
-0.01469989 0.00068717 -0.01500763
-18.13752683 30.21678592 0.42021088
-0.00007898 -0.00078242 -0.00117458
-0.01500377 0.00403197 0.01406199
8.92078987 3.04490954 6.98215025
0.00064024 0.00040873 0.00089764
0.00328840 0.00361091 -0.00216331
9.64437815 5.47435981 8.54748552
-0.00071476 0.00113530 0.00045802
0.00061718 -0.00125550 -0.00545940
8.53382982 17.77476674 -12.34721438
-0.00034260 -0.00041901 -0.00016662
-0.01640008 -0.00957471 0.00280574
8.55041780 15.15975249 -11.46691369
-0.00019664 -0.00062228 -0.00021719
-0.00724383 -0.00491782 0.00503453
13.04723450 5.73506874 0.05492567
0.00145818 -0.00063259 0.00044204
-0.00165108 0.00299245 0.01051061
14.15773404 3.10595815 1.03099133
-0.00124962 -0.00007458 0.00114589
-0.01185855 0.02767928 -0.02136742
-4.76024765 12.03680804 -2.63990897
-0.00019815 0.00183306 -0.00039857
0.03072656 0.01702501 -0.04612052
-5.33839473 10.14298981 -0.92377724
-0.00054446 0.00026309 -0.00012850
-0.00827775 -0.00153428 0.01338690
7.87227682 12.84060592 4.70274980
0.00023089 0.00022940 -0.00042616
-0.01347596 0.04984450 -0.00899196
10.20651318 11.17149680 4.57289459
-0.00018424 -0.00061375 0.00010502
0.01482309 -0.00536705 -0.00248471
19.21501670 -10.73514204 -9.08144197
0.00044927 0.00137754 0.00040033
-0.01217865 0.00762249 0.01324007
20.58124658 -12.88906296 -10.33658768
0.00035382 -0.00108231 0.00043374
-0.00313204 0.00959244 -0.00910551
19.22207198 -4.95322826 -1.75208682
0.00080866 -0.00020029 -0.00064667
0.00089985 -0.00033568 -0.01517296
18.28463202 -7.33242433 -0.20380227
0.00021872 0.00045294 -0.00007833
0.00448859 0.01235075 -0.00194718
14.71154705 8.93364546 9.28056735
-0.00055924 -0.00105611 -0.00001479
-0.00035810 -0.00054389 0.00172461
16.60174543 7.92357895 11.24634865
-0.00016591 0.00029744 -0.00026576
0.00111734 0.00150338 0.00910094
2.88200978 -16.05952210 17.47165116
0.00010746 -0.00093925 -0.00069089
-0.00996474 0.02025931 -0.00661849
3.24524450 -12.87126478 17.08525424
0.00001267 0.00007584 -0.00062922
0.00199268 -0.03690753 -0.00055965
-4.53819314 -4.25392099 -13.69246784
-0.00063363 0.00066010 -0.00000163
0.00244378 0.00999862 0.00025051
-2.13068192 -2.34130413 -13.36954029
-0.00062910 -0.00051402 -0.00018661
-0.00530122 -0.00536833 -0.00459616
16.13335487 -7.40618452 -14.77092593
0.00056374 -0.00067582 -0.00008620
0.00632686 0.00074332 0.00518628
17.27272455 -7.35415274 -11.89214536
-0.00013159 0.00076355 0.00014125
-0.00852899 0.00751820 -0.00770123
9.16917040 -4.22213283 5.55893757
-0.00010489 0.00011867 0.00102979
-0.01035550 -0.00077965 -0.01309542
12.16945800 -4.10547932 5.73583415
-0.00019975 0.00132271 -0.00104109
-0.02447681 -0.00609480 0.00527799
-20.99437033 -0.33577848 24.80578290
-0.00013045 -0.00061266 0.00083761
0.01343148 0.03343351 0.01130166
-20.11366332 2.64408012 25.17112780
-0.00039727 0.00020744 -0.00020644
-0.02167572 0.02477258 0.00273081
24.78151884 -2.35437431 -6.94048293
0.00093161 0.00022081 0.00015560
0.00321594 0.00275258 -0.00951815
24.00001856 -0.61204356 -9.25466610
-0.00018435 0.00011839 0.00074540
0.00215814 -0.00027489 0.00188297
12.39133607 -9.97667374 -9.46261004
-0.00015725 0.00110330 0.00066066
-0.01520098 0.00872452 -0.02478979
12.61230614 -8.50961583 -12.06003905
0.00039143 -0.00030471 0.00016797
-0.01317893 -0.01783992 0.01067328
-8.94047795 -9.34027197 18.37029190
0.00127941 -0.00098668 -0.00028439
-0.00386218 -0.00687827 -0.00936587
-11.53678522 -9.31993044 16.95572238
-0.00075578 0.00075609 0.00069255
0.02448134 -0.01130821 0.00832536
8.62688936 0.25912996 -29.93691340
0.00048790 0.00033269 0.00086242
-0.00648151 0.00955408 0.00051479
5.60850783 0.28623988 -29.27534744
-0.00049853 -0.00098703 -0.00045102
0.01635863 0.00053352 -0.00089391
12.59419659 19.65763077 12.43507316
0.00017115 -0.00055156 0.00005021
-0.00251348 -0.01424827 0.00726275
13.19661430 17.65368890 10.47832725
-0.00114722 0.00058355 -0.00029439
-0.01097046 -0.00350219 0.03743844
27.83421414 7.70087995 -11.58853439
-0.00042883 -0.00016534 0.00008015
-0.00909386 -0.00192568 0.00438882
25.75644552 7.19365280 -9.40596993
0.00042492 0.00042767 0.00011314
0.01326653 0.00847395 0.01684127
-6.98256742 4.52110994 6.63937444
0.00025071 -0.00013078 -0.00013202
-0.00184952 -0.00095900 -0.00552161
-8.83092959 8.67122492 3.87902956
0.00018618 -0.00014768 -0.00000795
-0.00436067 -0.00246819 -0.00257346
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07987754
0.32259344
429.83958955
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3226206172 (a.u.)
total exchange computation time: 2.9779479504 s
-153.7487109092
-931.40377924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3228080527 (a.u.)
total exchange computation time: 2.9768340588 s
-153.7481691065
Anderson extrapolation: theta=1.3481040040 (1.3481040040)
-931.40398887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3230030460 (a.u.)
total exchange computation time: 2.9771959782 s
-153.7480044408
Anderson extrapolation: theta=0.0521236989 (0.0521236989)
-931.40411349
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3229644491 (a.u.)
total exchange computation time: 2.9775140285 s
-153.7484972412
Anderson extrapolation: theta=1.9612490178 (1.9612490178)
-931.40411824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3228730915 (a.u.)
total exchange computation time: 2.9772138596 s
-153.7495754076
Anderson extrapolation: theta=0.2267514972 (0.2267514972)
-931.40412344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3228494502 (a.u.)
total exchange computation time: 2.9786331654 s
-153.7498183831
Anderson extrapolation: theta=1.8919025996 (1.8919025996)
-931.40412449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3228201779 (a.u.)
total exchange computation time: 2.9768240452 s
-153.7501170089
Anderson extrapolation: theta=0.2860047790 (0.2860047790)
-931.40412579
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3228267601 (a.u.)
total exchange computation time: 2.9778439999 s
-153.7500526429
Anderson extrapolation: theta=1.3043626626 (1.3043626626)
-931.40412610
30.340951 66.084917 -251.481006
545.006670 1080.858343 -416.576202
575.347622 1146.943260 -668.057208
1446.652744
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0636627907
ExchangeOperator: pair fraction: ispin=0: 0.1614494321
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3228452042 (a.u.)
total exchange computation time: 2.9771208763 s
678.08981363
-1082.06305165
89.85793407
-390.26993836
-174.69603879
77.33847430
551.60419304
0.00000000
-931.40412632
3.48630405 -31.11649474 -3.84516665
-0.00025101 0.00048458 0.00007189
0.01258138 -0.01427592 -0.01710927
-11.20837583 2.11173318 -9.38023934
-0.00003364 -0.00019937 -0.00019335
-0.01998917 -0.00594871 -0.02399870
-36.84377622 2.04202829 4.01416633
0.00039477 0.00015127 0.00015370
-0.02748453 -0.01022855 0.00099723
-7.74055186 -3.66670558 2.84985671
-0.00015429 -0.00018655 -0.00030059
-0.00697262 -0.01651731 0.00121394
2.40503314 0.00812102 9.64689502
0.00015373 0.00011965 -0.00010576
0.03159306 -0.04321622 0.00258366
-31.33173569 1.39708413 3.49919572
-0.00023476 0.00000119 0.00008156
0.02840184 -0.01661529 0.00823391
16.56052591 13.21168629 -17.65947637
0.00019794 0.00011722 0.00005692
-0.00926273 -0.01194510 -0.01230672
-3.38440359 4.85081329 3.91494289
-0.00021463 -0.00009652 -0.00060317
0.02195530 0.00565239 0.03275504
4.83236118 17.34372826 -6.70018769
0.00006677 -0.00001946 -0.00022533
0.01973827 -0.01089517 -0.05365796
8.32920263 7.54525969 -21.29934010
0.00012520 0.00035759 -0.00016306
-0.02844358 -0.01317936 -0.03217904
20.08451314 18.84557611 -5.31775211
0.00054327 0.00029757 0.00007420
-0.02748374 -0.00148943 0.01697509
2.00862556 14.62384731 -21.39004276
-0.00013825 -0.00018648 0.00007724
0.00117410 -0.00085167 0.00241122
10.57314717 -5.51739525 0.02190778
0.00015189 0.00005431 -0.00004324
0.03753737 0.01574217 0.02204322
-16.44320989 -5.60559735 4.74888713
-0.00004579 -0.00014711 -0.00012653
-0.00640926 -0.00588042 0.01389266
-14.19842234 -1.48122755 20.75027732
-0.00003993 0.00030616 -0.00019751
0.00164553 0.00686991 -0.03333529
0.56360835 3.65811381 -4.84297753
-0.00044050 0.00009720 -0.00010250
0.00070804 -0.01592408 0.02107818
20.70949907 -9.57954818 -4.34142017
-0.00055280 -0.00006838 -0.00029416
0.02085880 0.01801567 -0.03618666
2.74252871 -10.86253625 6.74627037
0.00005036 -0.00003282 0.00008626
0.00508536 0.00079505 0.02517325
-1.90599991 -1.81258010 -19.33641451
-0.00023979 -0.00013366 0.00006329
-0.02657328 -0.03487903 -0.01546399
-0.64775509 5.32954401 -11.31672082
-0.00008317 0.00039416 -0.00015366
0.06007579 0.02741850 -0.03415256
-4.87515227 15.50568260 13.85706576
0.00008747 0.00018594 0.00067524
0.01611753 0.03292895 0.01426996
-4.97924787 3.19896436 -8.10661278
0.00000038 0.00021673 -0.00016628
0.00220554 -0.00426041 -0.00507812
-8.51103856 0.01831697 -4.26542471
0.00031752 -0.00016778 0.00026584
0.01985079 0.01581694 -0.00697367
3.05792850 27.68428412 5.62574212
0.00008775 -0.00020911 -0.00020164
-0.02799812 0.03638299 -0.01671156
8.61072483 -9.61349690 -2.09078713
-0.00013674 0.00004115 0.00000077
-0.03826500 -0.00267992 -0.00642148
-6.22362299 1.32136913 10.06104664
0.00021783 -0.00028003 0.00009147
0.01279024 -0.02538267 -0.03187753
19.85530709 9.54962630 5.86122067
0.00032776 0.00006996 -0.00019292
-0.04235238 -0.00541679 0.00385621
-3.39008681 0.54491124 -24.27560219
-0.00017224 -0.00016604 -0.00017947
-0.01304558 -0.00060850 0.00240413
-13.66881511 8.50231595 9.39366704
-0.00012917 0.00012915 -0.00020795
-0.00666699 -0.00909944 0.00487895
-13.64240970 5.68803540 -3.96624846
0.00026699 -0.00005376 -0.00010903
-0.00089738 -0.02023892 -0.01004401
-3.77931371 -15.06843170 21.30813242
0.00001644 0.00000413 0.00012684
0.00737840 0.00809189 0.00246734
-6.40507775 8.64193597 -6.37563421
-0.00020942 0.00004758 0.00029384
-0.01916727 0.00411611 0.00357545
-19.72754299 30.50584739 1.36335745
0.00003886 0.00038815 0.00022900
0.03356053 -0.00264551 -0.00279072
10.22655555 3.77165662 8.07683416
-0.00023576 0.00010550 -0.00021223
0.00404652 0.01292786 0.01674991
7.31684981 16.52011518 -11.65960588
-0.00025058 0.00009128 0.00023256
0.01802267 0.00896792 0.00257906
14.08280587 4.33559780 -0.44840361
0.00005734 -0.00028502 0.00024609
0.01418412 -0.03453088 0.00532417
-5.88483369 11.86987313 -1.30956167
-0.00025012 -0.00011506 -0.00002900
-0.01750896 -0.00107179 0.02590495
8.42928226 11.19336796 4.92602838
0.00018987 -0.00066444 0.00006984
-0.01193385 -0.02981639 0.01527415
19.89916676 -11.18693688 -10.68181731
0.00008548 0.00000485 -0.00035899
0.01530044 -0.02587644 0.00026426
19.27945538 -5.73151779 -0.12078899
0.00006148 0.00013478 0.00027139
-0.00853851 -0.01795670 0.00886990
15.83597694 7.54805965 9.65295282
-0.00025154 -0.00001178 0.00010373
-0.00457112 -0.00127371 -0.01014294
3.74041235 -14.63575760 16.59710966
-0.00017579 0.00001573 0.00006978
0.00740203 0.01573386 0.00293095
-3.79910036 -2.50020856 -14.12410846
-0.00014249 0.00028481 -0.00039788
0.01289786 0.02060658 0.00200298
16.27708922 -6.39846663 -13.15484227
-0.00004436 0.00005691 0.00009865
-0.00828768 -0.03423766 -0.01495445
10.57231900 -4.55301511 6.64641811
-0.00004884 -0.00023895 0.00042858
0.04460750 0.00852897 0.00462719
-19.63340764 0.94454766 25.23767751
-0.00011643 0.00017760 0.00023775
0.00417897 -0.05967724 -0.00626200
23.97435141 -0.74142940 -7.40207575
-0.00018132 0.00003219 -0.00006466
0.00406675 -0.00319848 0.00095667
11.52844021 -9.74104245 -11.15010387
0.00006664 -0.00002045 0.00017484
0.02986596 0.00892164 0.02240369
-9.76413806 -9.90805463 16.81579003
-0.00000422 0.00015457 0.00029514
-0.02202715 0.01549573 -0.00677221
7.32300496 -0.03760363 -28.64961621
-0.00002831 -0.00041038 -0.00010617
-0.00997169 -0.00314252 0.00511577
12.59935014 17.80433585 12.30178105
0.00006873 0.00021676 0.00003455
0.01426750 0.01999129 -0.04071089
26.00909460 7.57962700 -11.16105283
0.00015231 0.00027047 -0.00002824
-0.00364574 -0.00046630 -0.00965419
4.17598713 -29.76454468 -4.86761818
0.00102210 -0.00004935 -0.00035389
0.00079661 0.00733052 -0.01194670
3.23444114 -30.40122079 -2.20327490
-0.00046152 0.00001298 -0.00052653
-0.00872799 0.00567161 0.02753720
-9.60493486 2.76526086 -8.93462131
-0.00060123 -0.00105486 -0.00021285
0.01874963 0.00827489 0.01141015
-11.62641542 2.84984026 -11.08906995
0.00024656 0.00009199 0.00074685
0.00260291 -0.00903893 0.01199163
-36.83353909 3.53908877 2.96416717
-0.00037929 0.00068581 -0.00023857
-0.00131735 0.00283362 0.00325964
-38.71176601 1.55081600 4.10213804
0.00137461 0.00027457 0.00024953
0.03027679 0.00619091 -0.00589625
-9.10945477 -4.71797090 2.13244963
0.00033582 -0.00076581 0.00058490
-0.00799029 0.01285824 -0.00863207
-6.38758051 -4.86754480 2.60911124
-0.00002429 -0.00033762 0.00019323
0.00889894 0.00395217 0.00661612
3.42548720 -1.25671113 8.68687101
0.00040066 -0.00036249 -0.00102554
-0.01334662 0.01889951 0.01792599
1.53679634 0.82396713 8.34044794
-0.00042278 -0.00020195 0.00033223
-0.01753173 0.02311269 -0.02242733
-30.64749882 -0.33002776 3.59278180
0.00116129 -0.00058275 -0.00089502
0.00121484 0.00692061 -0.00733948
-33.07008334 1.14385848 3.85740296
0.00042979 -0.00018883 0.00083627
-0.02498760 0.00462612 0.00019020
15.23951962 12.12754208 -18.61967931
0.00037475 0.00055600 0.00090149
0.03367131 0.01722183 0.02811527
18.05126639 12.07167960 -17.34704100
-0.00034860 -0.00094877 -0.00061301
-0.02285684 0.00682643 -0.00961657
-2.37655079 6.15455791 4.86883955
0.00058129 -0.00076820 -0.00024607
-0.02222900 -0.01951627 -0.01506536
-3.57127520 5.64082899 2.30999610
0.00058479 -0.00066360 -0.00017519
-0.00225754 0.00678854 -0.01721983
6.03655154 17.44666221 -8.28765483
-0.00027923 0.00097508 0.00016950
-0.03144089 -0.01027205 0.03323144
5.61816110 18.42844264 -5.52629641
0.00012848 -0.00123668 -0.00038197
0.01804146 0.01508234 0.01734250
8.94987613 6.45352678 -22.67585282
-0.00059643 0.00039469 -0.00039678
-0.00118742 0.00992029 0.00773843
9.55125863 7.84296237 -20.03275578
-0.00058336 0.00116313 -0.00024584
0.02339587 0.00172148 0.01466075
19.54881105 20.37960707 -4.39619338
-0.00033136 -0.00105426 -0.00036017
0.00395204 -0.00938559 0.00040936
21.31572186 19.50008059 -6.43348087
0.00074072 -0.00087488 0.00024355
0.01845477 0.01132755 -0.01346803
1.65299717 13.14011264 -20.41495729
0.00048814 0.00006056 0.00113590
0.01154459 -0.01084881 0.00817067
0.30272361 15.06402943 -21.84955108
-0.00041033 0.00067683 -0.00015810
-0.01256763 0.01605185 -0.00600280
9.79721925 -7.01559110 -0.50448846
0.00018229 0.00027674 -0.00011942
-0.01534592 -0.03758289 -0.01214171
9.38792267 -4.22332488 -0.31999454
0.00059766 0.00034433 0.00014823
-0.01344335 0.02298690 -0.00406693
-17.08604152 -6.48857535 6.23812730
0.00042385 0.00041820 0.00000289
0.00502876 0.00664411 -0.00510215
-17.95095370 -5.31229500 3.76593920
0.00112744 -0.00012383 -0.00046864
0.00077862 -0.00274590 -0.00722548
-14.19868783 -0.90620119 18.94150629
0.00020199 -0.00046717 0.00085841
-0.00239724 -0.00663575 0.02063994
-15.18890896 -0.23601092 21.59768973
-0.00000977 -0.00054354 0.00009014
-0.00520427 0.00542773 0.01006151
-0.22502712 2.85679612 -3.32371526
-0.00045206 -0.00075555 0.00005765
0.00821948 0.00931371 -0.02754988
1.26635784 2.24233507 -5.83810854
0.00024573 -0.00033954 0.00095184
-0.01027727 0.00592497 0.01116989
20.27234706 -8.90758106 -6.02730232
0.00012439 0.00065793 -0.00087126
-0.01256631 -0.00748255 0.02007903
22.53972066 -9.07881107 -4.45127538
0.00030845 0.00069024 -0.00047288
-0.01638398 -0.01347215 0.01603977
4.54126653 -11.23302172 6.40594719
-0.00177202 -0.00004979 -0.00017921
-0.02238967 -0.00231724 0.00813199
2.39791734 -11.15420242 8.59512512
0.00041252 0.00072607 -0.00045643
0.01660842 0.00166986 -0.03232487
-2.57834120 -3.43050936 -20.21908050
0.00091218 0.00001011 0.00085356
0.02254176 0.03280996 0.01124607
-3.05291828 -1.73126538 -17.90390633
-0.00066583 -0.00061526 0.00041869
0.01004488 0.00530612 0.00236986
1.30375393 5.66439033 -11.22412135
-0.00052418 -0.00034090 0.00072261
-0.05010667 -0.00485897 -0.00919277
-1.01618826 4.58431757 -9.77815862
-0.00006137 0.00059580 0.00006027
-0.01822207 -0.02154658 0.04093848
-3.97374182 17.04719813 14.65861187
-0.00017761 -0.00037571 -0.00037204
-0.02313612 -0.03466290 -0.01133657
-6.59136541 16.08558409 13.43205193
0.00021258 0.00004510 -0.00024933
0.00944848 0.00153808 0.01049788
-5.16326840 2.12807834 -6.66561594
0.00058675 0.00031550 -0.00045317
-0.00026040 -0.00220898 0.00772802
-5.22916662 2.05258286 -9.63736967
0.00035770 0.00051090 -0.00026204
-0.00305258 0.02132550 0.01632014
-9.18729074 -1.60336250 -4.36471766
0.00035300 -0.00027845 0.00007570
-0.00695812 -0.03994476 -0.00828613
-9.56099050 0.68519687 -2.98753751
-0.00064047 -0.00048106 0.00085086
-0.00842604 0.02312866 0.01940667
2.35902329 29.09840024 4.51718114
0.00065076 -0.00068961 0.00018091
0.02491284 -0.03023660 0.01016881
2.00995720 27.99428544 7.08988078
-0.00076596 -0.00076006 -0.00006251
0.00672590 -0.00791630 0.00572000
6.75216670 -9.55759244 -2.60278306
-0.00115416 0.00061792 0.00136976
0.03758829 -0.00935668 0.01427464
8.94198211 -11.16954583 -1.13921874
-0.00051324 -0.00105890 -0.00058490
-0.01054992 0.00413443 -0.00587727
-5.13074985 -0.16812364 9.23214430
0.00002053 0.00050301 -0.00094174
-0.03416905 0.01578193 0.00935662
-8.05248740 1.12485292 9.93336781
-0.00032733 0.00051775 -0.00002501
0.01325342 -0.00934737 -0.00081722
18.98299975 9.72445542 7.50040374
0.00014482 -0.00015600 -0.00113379
0.01609404 -0.00652320 -0.00871805
21.56575595 9.96828921 5.99516874
-0.00069854 -0.00071023 0.00013867
0.03673878 0.01409297 0.01152534
-3.33771667 0.61651632 -22.43437832
-0.00078496 -0.00023940 0.00136125
0.00480177 -0.00601442 -0.00405393
-5.18494528 0.28853532 -24.67616141
0.00141363 -0.00006773 -0.00004459
0.00515795 0.00695697 0.00100225
-12.78273194 9.59143572 10.57079269
0.00027602 0.00028031 -0.00066763
0.00353298 0.00362596 -0.00868697
-13.87048371 9.46121731 7.82181098
-0.00047961 -0.00047683 0.00026879
0.00568423 0.00411585 -0.00094654
-13.50466795 4.02371289 -4.84312907
0.00069821 -0.00112300 -0.00029861
-0.00750200 0.02961630 0.01033105
-15.18915045 6.55459655 -4.55178866
-0.00019877 -0.00052345 0.00122307
0.00855746 -0.01093971 -0.00187988
-5.36196762 -15.91291447 20.97377140
-0.00028752 0.00014231 0.00006128
-0.01354229 -0.01364252 0.00465685
-2.94601123 -15.12208634 19.70934557
0.00042312 0.00080232 0.00001971
0.00644758 0.00139987 -0.01023745
-6.50977229 6.84895194 -6.60151608
0.00028720 0.00052438 -0.00006914
0.00412078 -0.01074096 -0.00329493
-8.13364436 9.15113994 -5.83845316
-0.00066235 -0.00020665 -0.00125952
0.02159683 0.00160298 -0.00633084
-21.02273140 30.77717354 0.17124514
-0.00015852 -0.00070473 0.00019038
-0.01569597 0.00072705 -0.01508842
-18.13917132 30.20517320 0.40302310
-0.00014784 -0.00076395 -0.00111062
-0.01870087 0.00500980 0.01724820
8.93049430 3.05115111 6.99554857
0.00064011 0.00041640 0.00087785
-0.00335234 0.00014509 -0.00752397
9.63367567 5.49135078 8.55418860
-0.00070734 0.00111594 0.00043152
0.00301396 -0.00822017 -0.00751465
8.52818820 17.76818823 -12.34962768
-0.00040709 -0.00045532 -0.00015603
-0.01516760 -0.00820063 0.00237605
8.54724616 15.15026752 -11.47001723
-0.00023094 -0.00063666 -0.00019715
-0.00954216 -0.00211981 0.00477304
13.06905663 5.72567158 0.06187839
0.00144101 -0.00060568 0.00048832
-0.00675662 0.01018079 0.01214280
14.13862641 3.10568757 1.04752490
-0.00129600 0.00003921 0.00105418
-0.01084552 0.02802519 -0.02352323
-4.76227834 12.06482562 -2.64730080
-0.00008039 0.00189878 -0.00057556
0.02691886 0.01514507 -0.04051915
-5.34681525 10.14688910 -0.92529449
-0.00057484 0.00025240 -0.00007540
-0.00659260 -0.00369645 0.01260713
7.87532720 12.84557434 4.69608181
0.00018201 0.00041374 -0.00046046
-0.01045267 0.04038976 -0.00779842
10.20420388 11.16212604 4.57439373
-0.00011801 -0.00063574 0.00009387
0.01759426 -0.00539790 -0.00297317
19.22138250 -10.71424539 -9.07503136
0.00040604 0.00140326 0.00044030
-0.00897972 0.00496959 0.00632977
20.58645788 -12.90500374 -10.33036062
0.00033464 -0.00102839 0.00039437
-0.00625453 0.01680286 -0.01016506
19.23422950 -4.95624297 -1.76225188
0.00081290 -0.00020583 -0.00069831
0.00117360 -0.00237469 -0.01010083
18.28805030 -7.32525170 -0.20503688
0.00023513 0.00049956 -0.00008570
0.00354718 0.01046804 -0.00166110
14.70314747 8.91778711 9.28039831
-0.00056606 -0.00105118 -0.00000938
-0.00298105 0.00295833 0.00092679
16.59929101 7.92808667 11.24264119
-0.00015992 0.00030474 -0.00022559
0.00181609 0.00206903 0.01055893
2.88331630 -16.07299002 17.46108506
0.00006617 -0.00085299 -0.00071769
-0.01024376 0.02196295 -0.00650486
3.24549568 -12.87125808 17.07579882
0.00001881 -0.00007349 -0.00062932
0.00101271 -0.03619507 0.00051160
-4.54762276 -4.24371310 -13.69248468
-0.00062431 0.00069971 -0.00000112
0.00211901 0.00939160 0.00000194
-2.14028079 -2.34917898 -13.37248034
-0.00064442 -0.00053465 -0.00020279
-0.00220264 -0.00472673 -0.00332420
16.14200491 -7.41629905 -14.77206005
0.00058958 -0.00066958 -0.00006106
0.00632052 0.00230931 0.00711973
17.27048935 -7.34246908 -11.89026260
-0.00016357 0.00079117 0.00011283
-0.00712676 0.00600255 -0.00620801
9.16727975 -4.22037667 5.57398314
-0.00015148 0.00011609 0.00097442
-0.01245290 -0.00048326 -0.01400964
12.16571167 -4.08582543 5.72037960
-0.00030731 0.00129389 -0.00101237
-0.02817209 -0.00801156 0.00878053
-20.99591553 -0.34394393 24.81869338
-0.00007328 -0.00047238 0.00088371
0.01455363 0.03523414 0.01126248
-20.12028665 2.64795078 25.16811483
-0.00048504 0.00030508 -0.00019519
-0.02128628 0.02302411 0.00277686
24.79559152 -2.35097777 -6.93844059
0.00094190 0.00023583 0.00011520
0.00182069 0.00460027 -0.01025588
23.99731942 -0.61027615 -9.24342746
-0.00017530 0.00011782 0.00074209
0.00227211 -0.00000185 -0.00350168
12.38851147 -9.95985688 -9.45345982
-0.00022052 0.00113779 0.00055829
-0.01577096 0.00815653 -0.02531714
12.61777367 -8.51473311 -12.05719246
0.00033752 -0.00037693 0.00021046
-0.01320972 -0.01751220 0.01012693
-8.92140514 -9.35528291 18.36573907
0.00126348 -0.00101267 -0.00031839
-0.00393659 -0.00584285 -0.00728004
-11.54737168 -9.30893560 16.96636582
-0.00064419 0.00070648 0.00072741
0.03014087 -0.01297613 0.00873553
8.63400932 0.26441311 -29.92396128
0.00046198 0.00037190 0.00086117
-0.00620803 0.00963657 -0.00112986
5.60153115 0.27145078 -29.28214013
-0.00042532 -0.00098489 -0.00045334
0.01947809 0.00051285 -0.00024167
12.59668675 19.64892072 12.43604883
0.00016071 -0.00059855 0.00008160
-0.00259534 -0.00875099 0.00810269
13.17906987 17.66233484 10.47505866
-0.00119110 0.00056802 -0.00014285
-0.01050897 -0.00409946 0.03674048
27.82750308 7.69834082 -11.58719772
-0.00045922 -0.00017257 0.00009646
-0.00578634 -0.00161360 0.00359902
25.76322577 7.20032749 -9.40375669
0.00047887 0.00046243 0.00018044
0.01314697 0.00854310 0.01610046
-6.97881181 4.51914568 6.63737932
0.00025002 -0.00013109 -0.00013399
-0.00198984 -0.00078577 -0.00549508
-8.82814449 8.66900549 3.87890583
0.00018519 -0.00014825 -0.00000853
-0.00414945 -0.00243842 -0.00243198
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07975750
0.32436882
432.20518884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3312787282 (a.u.)
total exchange computation time: 3.0857489109 s
-153.7812379706
-931.40501340
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3313800147 (a.u.)
total exchange computation time: 3.0862369537 s
-153.7812659493
Anderson extrapolation: theta=1.3540414487 (1.3540414487)
-931.40522735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3314321442 (a.u.)
total exchange computation time: 3.0840718746 s
-153.7819899426
Anderson extrapolation: theta=0.0544960095 (0.0544960095)
-931.40535584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3313627159 (a.u.)
total exchange computation time: 3.0850701332 s
-153.7826374767
Anderson extrapolation: theta=2.0427817462 (2.0000000000)
-931.40536109
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3311945293 (a.u.)
total exchange computation time: 3.0844881535 s
-153.7841048115
Anderson extrapolation: theta=0.2559905451 (0.2559905451)
-931.40536708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3311394551 (a.u.)
total exchange computation time: 3.0842010975 s
-153.7845127391
Anderson extrapolation: theta=1.7225122194 (1.7225122194)
-931.40536834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3310570167 (a.u.)
total exchange computation time: 3.0876011848 s
-153.7850603502
Anderson extrapolation: theta=0.3143921653 (0.3143921653)
-931.40536971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3310453038 (a.u.)
total exchange computation time: 3.0851650238 s
-153.7850778608
Anderson extrapolation: theta=1.1920985322 (1.1920985322)
-931.40537003
30.397147 66.033623 -251.420544
544.978032 1080.869632 -416.566730
575.375180 1146.903255 -667.987274
1446.599693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3310426235 (a.u.)
total exchange computation time: 3.0883338451 s
678.21329554
-1082.32575756
89.84575549
-390.09139463
-174.71622641
77.48378642
551.60419304
0.00000000
-931.40537019
3.48258750 -31.10928116 -3.84415431
-0.00024418 0.00047709 0.00006142
0.01396443 -0.01485560 -0.02359602
-11.20895748 2.10871970 -9.38323212
-0.00004517 -0.00020338 -0.00020516
-0.02487573 -0.00964975 -0.02192275
-36.83796072 2.04425794 4.01647570
0.00038168 0.00014740 0.00015324
-0.02340404 -0.00483936 -0.00279113
-7.74289313 -3.66956749 2.84535261
-0.00015722 -0.00019493 -0.00029969
-0.00440484 -0.01609393 0.00225798
2.40746095 0.00974909 9.64531856
0.00017083 0.00009645 -0.00010491
0.03491647 -0.04700113 0.00074050
-31.33514760 1.39703785 3.50045091
-0.00021843 -0.00000860 0.00008560
0.03512262 -0.02142950 0.00746208
16.56345923 13.21339851 -17.65866999
0.00019387 0.00011125 0.00005107
-0.00655521 -0.01126032 -0.01043934
-3.38753833 4.84938724 3.90602169
-0.00020303 -0.00009427 -0.00058480
0.02313066 0.00309137 0.03868522
4.83343885 17.34339438 -6.70377463
0.00007589 -0.00002586 -0.00025365
0.01574467 -0.01402303 -0.05648300
8.33097089 7.55057270 -21.30191015
0.00010964 0.00035088 -0.00018008
-0.03206396 -0.01292811 -0.03401393
20.09255624 18.85003394 -5.31657359
0.00052899 0.00029477 0.00008260
-0.02807957 -0.00942492 0.01569045
2.00655629 14.62104682 -21.38887488
-0.00013844 -0.00018692 0.00007844
-0.00191182 -0.00085451 0.00227856
10.57557025 -5.51651987 0.02134415
0.00017137 0.00006248 -0.00003181
0.03824145 0.01601204 0.02243716
-16.44392145 -5.60782668 4.74704274
-0.00004736 -0.00015002 -0.00011905
0.00031906 -0.00541848 0.01521233
-14.19901488 -1.47660863 20.74718606
-0.00003848 0.00030832 -0.00021318
0.00398130 0.00153321 -0.02757923
0.55700352 3.65951042 -4.84443366
-0.00044030 0.00008840 -0.00009110
0.00008738 -0.01829201 0.02324881
20.70128746 -9.58050446 -4.34597210
-0.00054089 -0.00005828 -0.00031375
0.02548524 0.02127586 -0.04002347
2.74330371 -10.86302551 6.74766139
0.00005026 -0.00003160 0.00009868
-0.00545729 0.00393828 0.02310597
-1.90969929 -1.81471949 -19.33552481
-0.00025366 -0.00015072 0.00005665
-0.02735559 -0.03147317 -0.01034250
-0.64877092 5.33556218 -11.31915742
-0.00005284 0.00040780 -0.00017051
0.05785664 0.02562320 -0.03136599
-4.87377805 15.50859878 13.86724935
0.00009514 0.00020193 0.00068187
0.01370085 0.02924496 0.01152972
-4.97923362 3.20219881 -8.10912656
0.00000165 0.00021515 -0.00016932
0.00272448 -0.00185613 -0.00674569
-8.50619922 0.01586133 -4.26146395
0.00032624 -0.00015928 0.00026366
0.01407059 0.01723995 -0.00150428
3.05913681 27.68128775 5.62265307
0.00007322 -0.00019112 -0.00020875
-0.02852502 0.03360618 -0.01094103
8.60852616 -9.61289003 -2.09080042
-0.00015715 0.00003899 -0.00000217
-0.04111900 -0.00569158 -0.00498228
-6.22030614 1.31707074 10.06229568
0.00022344 -0.00029280 0.00007503
0.00901159 -0.02425268 -0.03203436
19.86006006 9.55065484 5.85834170
0.00030400 0.00006642 -0.00019237
-0.05001031 -0.00835339 -0.00168854
-3.39272070 0.54241836 -24.27828500
-0.00017608 -0.00016588 -0.00017477
-0.00189709 0.00123315 0.01587286
-13.67077836 8.50421815 9.39056663
-0.00013236 0.00012379 -0.00020446
-0.00575750 -0.01174072 0.00869258
-13.63840838 5.68715096 -3.96792270
0.00026712 -0.00006566 -0.00011455
0.00140793 -0.02603779 -0.01140029
-3.77903861 -15.06833859 21.31004449
0.00002018 0.00000809 0.00012762
0.00715173 0.00730501 0.00059125
-6.40829304 8.64266549 -6.37121278
-0.00021909 0.00005052 0.00029564
-0.01841183 0.00732091 0.00340364
-19.72683066 30.51165949 1.36678168
0.00005694 0.00038658 0.00022670
0.03676346 -0.00345431 -0.00616251
10.22303480 3.77328893 8.07371529
-0.00023231 0.00011482 -0.00020165
0.00935203 0.02334611 0.02441276
7.31316061 16.52151891 -11.65610756
-0.00024113 0.00009478 0.00023406
0.01873287 0.00465965 0.00324357
14.08372066 4.33118924 -0.44469176
0.00006550 -0.00030451 0.00024882
0.01757205 -0.04124641 0.00532115
-5.88865300 11.86814315 -1.30989667
-0.00025828 -0.00011442 -0.00001734
-0.01421914 0.00353111 0.01940653
8.43208434 11.18328637 4.92713484
0.00018226 -0.00067699 0.00007740
-0.01766052 -0.01900197 0.01412963
19.90050801 -11.18696388 -10.68720119
0.00009321 -0.00000936 -0.00035686
0.01475786 -0.02940288 0.00803801
19.28034465 -5.72956537 -0.11668385
0.00005738 0.00012658 0.00027449
-0.00741460 -0.01393856 0.00317625
15.83218617 7.54787805 9.65446963
-0.00025333 -0.00001346 0.00009842
-0.00237808 -0.00525851 -0.01050387
3.73780400 -14.63546102 16.59816765
-0.00017168 0.00002301 0.00007100
0.00859525 0.01258161 0.00179978
-3.80118791 -2.49585700 -14.13006887
-0.00013662 0.00029525 -0.00039725
0.00993467 0.01999988 0.00040991
16.27639178 -6.39774505 -13.15342016
-0.00004895 0.00003938 0.00009007
-0.00956255 -0.03393042 -0.01841088
10.57175843 -4.55656647 6.65286472
-0.00002474 -0.00023414 0.00043026
0.04910412 0.01016764 0.00188628
-19.63513794 0.94698153 25.24121966
-0.00011464 0.00014729 0.00023451
0.00276974 -0.05818591 -0.00634465
23.97164725 -0.74095885 -7.40304196
-0.00017885 0.00002997 -0.00006255
0.00557025 -0.00545725 0.00724255
11.52955495 -9.74131473 -11.14739487
0.00008192 -0.00001586 0.00018655
0.02957423 0.00889662 0.02315454
-9.76428633 -9.90567630 16.82019096
-0.00001676 0.00016260 0.00029099
-0.02674704 0.01573393 -0.00936877
7.32254181 -0.04377139 -28.65118909
-0.00003419 -0.00041202 -0.00010339
-0.01289270 -0.00326750 0.00569353
12.60043608 17.80766440 12.30214222
0.00007590 0.00022562 0.00001378
0.01363048 0.01445019 -0.04006242
26.01136522 7.58368226 -11.16151372
0.00014949 0.00027009 -0.00003263
-0.00731021 -0.00100496 -0.00740655
4.19134304 -29.76506029 -4.87329269
0.00102261 -0.00002296 -0.00039864
-0.00054649 0.00558833 -0.00995655
3.22725085 -30.40085224 -2.21032897
-0.00049836 0.00004113 -0.00040488
-0.00930358 0.00810578 0.03201164
-9.61337873 2.74969156 -8.93746437
-0.00051186 -0.00101606 -0.00016202
0.02499582 0.01071694 0.01347081
-11.62263731 2.85094309 -11.07749968
0.00025450 0.00005800 0.00078823
0.00128392 -0.00759737 0.00826318
-36.83926875 3.54946279 2.96068854
-0.00038352 0.00068913 -0.00021929
-0.00075578 -0.00120837 0.00617536
-38.69021911 1.55512419 4.10570036
0.00148837 0.00029707 0.00022667
0.02540975 0.00482625 -0.00529374
-9.10466228 -4.72906409 2.14095858
0.00029888 -0.00071525 0.00054714
-0.01009215 0.01189174 -0.00984831
-6.38767223 -4.87248797 2.61221243
0.00001127 -0.00031966 0.00022052
0.00851081 0.00483725 0.00674449
3.43108805 -1.26156937 8.67203728
0.00034034 -0.00027793 -0.00094689
-0.01617835 0.02249277 0.02057104
1.52991743 0.82164610 8.34474407
-0.00049540 -0.00010702 0.00023892
-0.01801529 0.02335680 -0.02324599
-30.63004222 -0.33855699 3.57913159
0.00115914 -0.00054273 -0.00092514
-0.00227025 0.01267199 -0.00740244
-33.06440216 1.14116780 3.86995287
0.00032106 -0.00017212 0.00083876
-0.02823636 0.00355409 0.00103015
15.24617268 12.13640982 -18.60529549
0.00050573 0.00062292 0.00101145
0.03044546 0.01553528 0.02571292
18.04533699 12.05765716 -17.35653079
-0.00044075 -0.00091867 -0.00065118
-0.02225106 0.00790869 -0.00906783
-2.36851268 6.14243686 4.86468685
0.00048921 -0.00084823 -0.00030908
-0.02284344 -0.01965892 -0.01577885
-3.56257251 5.63108305 2.30684063
0.00057449 -0.00063026 -0.00025601
-0.00278723 0.00952904 -0.02234130
6.03139960 17.46097358 -8.28409404
-0.00040505 0.00093155 0.00030098
-0.03014545 -0.01103484 0.03113141
5.62064116 18.41035456 -5.53149458
0.00020801 -0.00116680 -0.00030070
0.02088612 0.01912816 0.02244203
8.94089332 6.45975118 -22.68156734
-0.00059832 0.00043407 -0.00036529
0.00026152 0.00935351 0.00767628
9.54322518 7.86046206 -20.03599409
-0.00048293 0.00117016 -0.00018269
0.02576224 0.00172012 0.01624995
19.54396178 20.36350552 -4.40158341
-0.00031713 -0.00108005 -0.00035342
0.00301311 -0.00323860 0.00289339
21.32739811 19.48730449 -6.43024039
0.00081914 -0.00082507 0.00018641
0.01993275 0.01305547 -0.01450194
1.66067301 13.14068860 -20.39766847
0.00053374 0.00002094 0.00116560
0.01077545 -0.00854380 0.00637131
0.29618353 15.07467381 -21.85210657
-0.00045393 0.00073756 -0.00017864
-0.00877190 0.01367240 -0.00405057
9.79948331 -7.01259160 -0.50665178
0.00011859 0.00012206 -0.00016956
-0.01583486 -0.03813710 -0.01240312
9.39647561 -4.21745560 -0.31789578
0.00054192 0.00043847 0.00013127
-0.01384100 0.02309693 -0.00423310
-17.07952969 -6.48209881 6.23801426
0.00044143 0.00044312 -0.00001492
0.00357545 0.00555364 -0.00361524
-17.93401826 -5.31423652 3.75868812
0.00111988 -0.00013379 -0.00050372
-0.00447921 -0.00213394 -0.00994523
-14.19573150 -0.91341215 18.95501493
0.00019161 -0.00048898 0.00092884
-0.00268223 -0.00403689 0.01383330
-15.18921493 -0.24399772 21.59935008
-0.00003506 -0.00051600 0.00013399
-0.00717957 0.00805575 0.01140536
-0.23155616 2.84574833 -3.32369469
-0.00041732 -0.00071351 -0.00005773
0.00878598 0.01126562 -0.02893191
1.26972884 2.23742353 -5.82348863
0.00020408 -0.00031444 0.00099530
-0.01011119 0.00636247 0.01010164
20.27382778 -8.89794144 -6.03975599
0.00007387 0.00062427 -0.00078251
-0.01216364 -0.00899203 0.02336665
22.54384529 -9.06887034 -4.45787700
0.00023186 0.00063180 -0.00040592
-0.02110311 -0.01513114 0.01673409
4.51400011 -11.23383958 6.40350823
-0.00183962 -0.00006386 -0.00015042
-0.01069768 -0.00457187 0.00596115
2.40461409 -11.14326016 8.58728819
0.00047804 0.00073114 -0.00057988
0.01546534 0.00081302 -0.02810450
-2.56396771 -3.42935238 -20.20593253
0.00100066 0.00013802 0.00089499
0.02076864 0.02980464 0.00903343
-3.06259791 -1.74033172 -17.89755340
-0.00061985 -0.00059357 0.00042283
0.01246426 0.00531460 -0.00034220
1.29435579 5.65912800 -11.21356386
-0.00072362 -0.00035874 0.00068327
-0.04752243 -0.00387573 -0.01006714
-1.01766717 4.59259434 -9.77600011
-0.00013658 0.00050929 0.00022383
-0.01859393 -0.02080330 0.03912604
-3.97711498 17.04050026 14.65268382
-0.00026800 -0.00050961 -0.00041412
-0.02111076 -0.03087952 -0.00925962
-6.58788720 16.08630766 13.42863368
0.00025147 0.00005146 -0.00020600
0.00959150 0.00157626 0.01071403
-5.15447506 2.13274316 -6.67217664
0.00058516 0.00030308 -0.00041721
-0.00051904 -0.00387297 0.00987318
-5.22389472 2.06089978 -9.64080023
0.00034497 0.00059643 -0.00019611
-0.00317487 0.02054299 0.01595301
-9.18220896 -1.60876332 -4.36383600
0.00032612 -0.00043851 0.00004182
-0.00620018 -0.03840487 -0.00829980
-9.57085578 0.67868977 -2.97417988
-0.00066492 -0.00039282 0.00091855
-0.00354039 0.02006110 0.01372403
2.36954814 29.08712957 4.52020646
0.00074884 -0.00080600 0.00021760
0.02309554 -0.02673667 0.00778767
1.99867393 27.98264189 7.08911841
-0.00073392 -0.00079330 -0.00004567
0.00895913 -0.00835336 0.00252435
6.73600609 -9.54861031 -2.58179919
-0.00099436 0.00057946 0.00142785
0.04063382 -0.00946969 0.01415894
8.93396025 -11.18530266 -1.14817238
-0.00055655 -0.00103542 -0.00061178
-0.01065153 0.00735945 -0.00728064
-5.13148902 -0.16009484 9.21830493
-0.00011847 0.00056554 -0.00090284
-0.03386974 0.01482647 0.00968500
-8.05699126 1.13233266 9.93296760
-0.00026663 0.00047974 -0.00002843
0.01646115 -0.00925458 -0.00085458
18.98566526 9.72191551 7.48312968
0.00020557 -0.00018168 -0.00115967
0.01364136 -0.00604593 -0.00394639
21.55640360 9.95806759 5.99760190
-0.00052854 -0.00064782 0.00018742
0.04648009 0.01645957 0.01233862
-3.34934393 0.61274098 -22.41408377
-0.00076513 -0.00026462 0.00132312
0.00490429 -0.00633099 -0.01461036
-5.16358277 0.28773252 -24.67679960
0.00141235 -0.00004207 -0.00004568
-0.00578549 0.00560579 -0.00153639
-12.77848340 9.59575149 10.56051201
0.00029074 0.00029502 -0.00070243
0.00367460 0.00357301 -0.00834558
-13.87750372 9.45419102 7.82581379
-0.00045744 -0.00045531 0.00025644
0.00517009 0.00641608 -0.00509734
-13.49442468 4.00777548 -4.84729163
0.00066523 -0.00099059 -0.00025100
-0.00864448 0.03519949 0.01297510
-15.19186971 6.54640953 -4.53350027
-0.00016637 -0.00056738 0.00121263
0.00730133 -0.01056268 -0.00323126
-5.36669547 -15.91119786 20.97483337
-0.00033845 0.00008810 0.00007987
-0.01138822 -0.01289261 0.00443932
-2.93946682 -15.11000869 19.70932749
0.00044588 0.00080772 -0.00001786
0.00469027 0.00124572 -0.00815409
-6.50533795 6.85648847 -6.60265417
0.00030362 0.00047336 -0.00008345
0.00391340 -0.01423369 -0.00370959
-8.14291778 9.14808924 -5.85753988
-0.00057527 -0.00019968 -0.00128385
0.02102663 0.00181297 -0.00558321
-21.02559010 30.76662492 0.17363842
-0.00022315 -0.00070196 0.00012997
-0.01594308 0.00062695 -0.01448049
-18.14196192 30.19386751 0.38689240
-0.00023029 -0.00074156 -0.00103443
-0.02166010 0.00594757 0.02004492
8.93999328 3.05740156 7.00848578
0.00061199 0.00040945 0.00083568
-0.01041330 -0.00354807 -0.01311912
9.62315790 5.50783797 8.56043114
-0.00069078 0.00107002 0.00039750
0.00509188 -0.01425808 -0.00913921
8.52161702 17.76110714 -12.35189536
-0.00046588 -0.00048542 -0.00014758
-0.01361013 -0.00653152 0.00176307
8.54348972 15.14065264 -11.47282825
-0.00027430 -0.00063980 -0.00017814
-0.01168495 0.00058533 0.00453587
13.09046468 5.71689836 0.06957529
0.00140362 -0.00054970 0.00054111
-0.01154199 0.01721919 0.01369673
14.11885410 3.10713455 1.06261682
-0.00133797 0.00015322 0.00095485
-0.00970055 0.02778364 -0.02510101
-4.76265927 12.09377139 -2.65717589
0.00001924 0.00195560 -0.00072627
0.02184831 0.01266895 -0.03325111
-5.35563980 10.15056185 -0.92603910
-0.00059818 0.00023302 -0.00002569
-0.00483563 -0.00579095 0.01172458
7.87773697 12.85301810 4.68893589
0.00014624 0.00055710 -0.00048943
-0.00705624 0.02978407 -0.00637952
10.20297286 11.15242447 4.57571066
-0.00004162 -0.00065776 0.00008095
0.01979857 -0.00537674 -0.00335254
19.22719796 -10.69304417 -9.06823283
0.00037582 0.00141777 0.00045182
-0.00581572 0.00213196 -0.00069191
20.59128587 -12.91991474 -10.32475654
0.00030357 -0.00094690 0.00035097
-0.00895729 0.02308809 -0.01108152
19.24645896 -4.95940321 -1.77303598
0.00081813 -0.00021971 -0.00072884
0.00138810 -0.00441808 -0.00484689
18.29168597 -7.31743753 -0.20637329
0.00024730 0.00053782 -0.00009195
0.00240901 0.00825950 -0.00139610
14.69456519 8.90211006 9.28028606
-0.00058369 -0.00103203 -0.00000723
-0.00564598 0.00641368 0.00012567
16.59694790 7.93272120 11.23958085
-0.00015143 0.00031424 -0.00018023
0.00233936 0.00257809 0.01164547
2.88399503 -16.08511190 17.45012031
0.00002369 -0.00076028 -0.00074387
-0.01055316 0.02341934 -0.00630642
3.24580893 -12.87346963 17.06637476
0.00002058 -0.00021808 -0.00062476
-0.00014807 -0.03458070 0.00171898
-4.55692252 -4.23292964 -13.69250140
-0.00061633 0.00073681 -0.00000167
0.00178992 0.00876806 -0.00027160
-2.15001466 -2.35734351 -13.37562413
-0.00064674 -0.00055264 -0.00021355
0.00106873 -0.00408352 -0.00194264
16.15104231 -7.42627206 -14.77275783
0.00061527 -0.00065716 -0.00002842
0.00625369 0.00377228 0.00886086
17.26781739 -7.33041755 -11.88876032
-0.00018944 0.00081226 0.00009095
-0.00553699 0.00431928 -0.00450714
9.16462591 -4.21865012 5.58817011
-0.00020540 0.00011438 0.00091636
-0.01394012 -0.00035317 -0.01441122
12.16023879 -4.06666254 5.70546319
-0.00042823 0.00125750 -0.00097005
-0.03101937 -0.00980477 0.01193179
-20.99656880 -0.34995001 24.83229409
-0.00001265 -0.00032608 0.00092917
0.01512425 0.03638289 0.01099076
-20.12821453 2.65323250 25.16527205
-0.00057029 0.00039301 -0.00018354
-0.02044489 0.02001651 0.00292461
24.80977578 -2.34729930 -6.93702680
0.00094654 0.00025811 0.00007195
0.00045288 0.00630396 -0.01091894
23.99475954 -0.60850884 -9.23240343
-0.00016579 0.00011848 0.00071645
0.00238120 0.00032389 -0.00904902
12.38472033 -9.94254014 -9.44586120
-0.00028539 0.00116952 0.00045521
-0.01597934 0.00737859 -0.02514406
12.62243163 -8.52092364 -12.05372523
0.00028428 -0.00044690 0.00024999
-0.01284961 -0.01674190 0.00922533
-8.90257358 -9.37065194 18.36074008
0.00124751 -0.00103445 -0.00034370
-0.00388091 -0.00482131 -0.00510984
-11.55611092 -9.29873601 16.97754462
-0.00051165 0.00065069 0.00076389
0.03473917 -0.01433539 0.00912085
8.64074881 0.27028685 -29.91107840
0.00043719 0.00041140 0.00085336
-0.00592642 0.00969952 -0.00269268
5.59574821 0.25669310 -29.28894763
-0.00034041 -0.00098257 -0.00045328
0.02208408 0.00062303 0.00026838
12.59901786 19.63967435 12.43752108
0.00014996 -0.00062201 0.00011648
-0.00266872 -0.00273346 0.00897422
13.16088138 17.67072953 10.47404175
-0.00123260 0.00054998 0.00000405
-0.00980785 -0.00473206 0.03516625
27.82043740 7.69570281 -11.58564048
-0.00047558 -0.00017852 0.00010939
-0.00221813 -0.00129709 0.00272662
25.77081176 7.20752576 -9.40055671
0.00053229 0.00049757 0.00024377
0.01300198 0.00865873 0.01489917
-6.97506688 4.51717721 6.63535470
0.00024928 -0.00013134 -0.00013596
-0.00215751 -0.00061867 -0.00547978
-8.82537383 8.66677757 3.87877363
0.00018425 -0.00014882 -0.00000908
-0.00399405 -0.00249462 -0.00225997
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08003378
0.32533642
433.49446490
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3403449461 (a.u.)
total exchange computation time: 3.0835411549 s
-153.8201161273
-931.40519457
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3404161763 (a.u.)
total exchange computation time: 3.0850930214 s
-153.8205383956
Anderson extrapolation: theta=1.3499097271 (1.3499097271)
-931.40541207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.790 s
total exchange = -52.3404538804 (a.u.)
total exchange computation time: 3.0859730244 s
-153.8216639412
Anderson extrapolation: theta=0.0528646051 (0.0528646051)
-931.40554208
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3404072557 (a.u.)
total exchange computation time: 3.0847730637 s
-153.8222160457
Anderson extrapolation: theta=2.0061535196 (2.0000000000)
-931.40554717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3403003361 (a.u.)
total exchange computation time: 3.0879628658 s
-153.8234165606
Anderson extrapolation: theta=0.2315929667 (0.2315929667)
-931.40555284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3402748102 (a.u.)
total exchange computation time: 3.0867910385 s
-153.8236768166
Anderson extrapolation: theta=1.8454013435 (1.8454013435)
-931.40555398
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3402448709 (a.u.)
total exchange computation time: 3.0875217915 s
-153.8239834972
Anderson extrapolation: theta=0.2797103739 (0.2797103739)
-931.40555533
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3402527403 (a.u.)
total exchange computation time: 3.0869488716 s
-153.8239099149
Anderson extrapolation: theta=1.2764836409 (1.2764836409)
-931.40555565
30.452568 65.993795 -251.355269
544.947719 1080.884355 -416.555421
575.400287 1146.878151 -667.910689
1446.554413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3402732612 (a.u.)
total exchange computation time: 3.0874269009 s
678.35752568
-1082.63092722
89.83197173
-389.88411118
-174.73974162
77.65158786
551.60419304
0.00000000
-931.40555587
3.47897868 -31.10218219 -3.84332400
-0.00023665 0.00046945 0.00004783
0.01530507 -0.01483087 -0.02925868
-11.20973103 2.10563179 -9.38639403
-0.00005895 -0.00020926 -0.00021570
-0.02869736 -0.01320749 -0.01907884
-36.83232577 2.04645025 4.01876353
0.00037093 0.00014632 0.00015085
-0.01839481 0.00062969 -0.00648534
-7.74526838 -3.67255355 2.84086593
-0.00015882 -0.00020309 -0.00029827
-0.00182009 -0.01561639 0.00326349
2.41015813 0.01101456 9.64374781
0.00018925 0.00007172 -0.00010517
0.03671812 -0.04916799 -0.00174371
-31.33828854 1.39682624 3.50176367
-0.00019897 -0.00002070 0.00008924
0.04053773 -0.02565562 0.00670512
16.56634197 13.21502387 -17.65794415
0.00019129 0.00010582 0.00004628
-0.00345694 -0.00987109 -0.00818296
-3.39049462 4.84798504 3.89739892
-0.00019100 -0.00009338 -0.00056370
0.02367961 0.00039627 0.04337097
4.83463799 17.34295232 -6.70779731
0.00008297 -0.00003367 -0.00028300
0.01176222 -0.01631071 -0.05764509
8.33249179 7.55578597 -21.30474261
0.00009244 0.00034440 -0.00019773
-0.03482447 -0.01227121 -0.03461679
20.10038271 18.85441907 -5.31527402
0.00051467 0.00028790 0.00009009
-0.02758134 -0.01728915 0.01343135
2.00447226 14.61823973 -21.38768943
-0.00014026 -0.00018739 0.00007961
-0.00515950 -0.00096158 0.00224549
10.57828835 -5.51552096 0.02095361
0.00019085 0.00007058 -0.00002035
0.03751700 0.01551595 0.02212117
-16.44463055 -5.61009781 4.74531571
-0.00004547 -0.00015265 -0.00011096
0.00700848 -0.00482102 0.01625029
-14.19957669 -1.47197789 20.74388204
-0.00003592 0.00030777 -0.00022554
0.00598018 -0.00366407 -0.02051014
0.55039937 3.66076590 -4.84571044
-0.00044035 0.00007852 -0.00007873
-0.00029840 -0.02012987 0.02484314
20.69327247 -9.58129660 -4.35083280
-0.00052679 -0.00004664 -0.00033512
0.02934662 0.02400935 -0.04304698
2.74403660 -10.86348439 6.74923067
0.00004445 -0.00002866 0.00010988
-0.01713893 0.00751915 0.02045930
-1.91360971 -1.81710168 -19.33471490
-0.00026779 -0.00016580 0.00005270
-0.02757227 -0.02716550 -0.00503961
-0.64934041 5.34177802 -11.32183601
-0.00002407 0.00042024 -0.00018546
0.05402617 0.02275559 -0.02678262
-4.87229813 15.51174057 13.87752189
0.00010146 0.00021576 0.00068700
0.01087001 0.02453125 0.00840953
-4.97919836 3.20541894 -8.11169239
0.00000318 0.00021485 -0.00017305
0.00322335 0.00067447 -0.00774314
-8.50125132 0.01353869 -4.25751479
0.00033180 -0.00015039 0.00026430
0.00754990 0.01731604 0.00395942
3.06012506 27.67855063 5.61947961
0.00005856 -0.00017480 -0.00021278
-0.02849513 0.02984155 -0.00474398
8.60601028 -9.61232707 -2.09085215
-0.00017882 0.00003534 -0.00000433
-0.04313516 -0.00852607 -0.00341599
-6.21691977 1.31258525 10.06329759
0.00022713 -0.00030489 0.00005859
0.00535292 -0.02276164 -0.03191545
19.86442721 9.55161894 5.85544971
0.00027687 0.00006149 -0.00019476
-0.05549244 -0.01081145 -0.00763886
-3.39536924 0.53993499 -24.28084534
-0.00017401 -0.00016475 -0.00016341
0.00996628 0.00315869 0.02830321
-13.67278604 8.50602977 9.38753329
-0.00013508 0.00011713 -0.00019904
-0.00479443 -0.01415985 0.01238149
-13.63439620 5.68606565 -3.96968489
0.00026843 -0.00008027 -0.00012063
0.00370597 -0.03080056 -0.01223698
-3.77870835 -15.06818912 21.31196112
0.00002374 0.00001159 0.00012736
0.00667842 0.00632795 -0.00159768
-6.41165037 8.64345149 -6.36676509
-0.00022825 0.00005497 0.00029730
-0.01723770 0.00997454 0.00304663
-19.72583471 30.51744493 1.37015838
0.00007628 0.00038465 0.00022260
0.03843571 -0.00408820 -0.00978204
10.21958619 3.77510135 8.07078475
-0.00022607 0.00012926 -0.00018715
0.01491542 0.03280650 0.03197850
7.30961594 16.52295859 -11.65258422
-0.00023145 0.00009604 0.00023592
0.01891881 0.00022746 0.00399421
14.08477101 4.32646247 -0.44093887
0.00007525 -0.00032716 0.00025146
0.02030886 -0.04683909 0.00494421
-5.89258200 11.86644041 -1.31008196
-0.00026453 -0.00011131 -0.00000930
-0.01010466 0.00856042 0.01185517
8.43475018 11.17305819 4.92835030
0.00017186 -0.00068386 0.00008430
-0.02281108 -0.00771783 0.01271466
19.90196312 -11.18721771 -10.69252306
0.00010059 -0.00002511 -0.00035081
0.01392770 -0.03184635 0.01547887
19.28117672 -5.72772049 -0.11255421
0.00005393 0.00012049 0.00027466
-0.00601084 -0.00972677 -0.00251200
15.82837705 7.54765587 9.65590541
-0.00025396 -0.00001711 0.00009303
-0.00006188 -0.00895650 -0.01046604
3.73526195 -14.63506738 16.59923952
-0.00016689 0.00002850 0.00007157
0.01001658 0.00879686 0.00044234
-3.80319882 -2.49135114 -14.13602611
-0.00013229 0.00030535 -0.00039747
0.00688901 0.01930391 -0.00125233
16.27562058 -6.39728524 -13.15214009
-0.00005422 0.00002209 0.00007974
-0.01092748 -0.03332361 -0.02176769
10.57157667 -4.56003939 6.65932589
0.00000126 -0.00022849 0.00043049
0.05203584 0.01181408 -0.00100215
-19.63684686 0.94896651 25.24471286
-0.00011354 0.00011821 0.00023125
0.00152677 -0.05489753 -0.00635513
23.96898605 -0.74053039 -7.40395230
-0.00017562 0.00002662 -0.00005724
0.00698986 -0.00756379 0.01339446
11.53089784 -9.74151837 -11.14450725
0.00009686 -0.00001139 0.00019857
0.02852894 0.00851069 0.02355686
-9.76464093 -9.90317659 16.82451962
-0.00003148 0.00017069 0.00028552
-0.03047835 0.01570013 -0.01190441
7.32197920 -0.04996436 -28.65271804
-0.00004142 -0.00041375 -0.00010031
-0.01522694 -0.00345494 0.00631157
12.60162718 17.81110443 12.30219432
0.00008269 0.00023154 -0.00000643
0.01275332 0.00856245 -0.03852194
26.01357945 7.58772977 -11.16203175
0.00014475 0.00026943 -0.00003575
-0.01113524 -0.00157651 -0.00472660
4.20666546 -29.76523341 -4.87957739
0.00101726 -0.00000410 -0.00043475
-0.00207291 0.00364274 -0.00771846
3.21949038 -30.39998691 -2.21542117
-0.00053719 0.00007837 -0.00026701
-0.00970235 0.01012275 0.03547327
-9.62029070 2.73477906 -8.93948187
-0.00039892 -0.00096819 -0.00010333
0.03029039 0.01271493 0.01525636
-11.61878052 2.85158030 -11.06542299
0.00025686 0.00003047 0.00081333
-0.00012871 -0.00588000 0.00402211
-36.84504473 3.55976275 2.95758838
-0.00038532 0.00067641 -0.00018844
-0.00012678 -0.00502180 0.00892612
-38.66711494 1.55972817 4.10893824
0.00158026 0.00031340 0.00020647
0.01957049 0.00316375 -0.00459411
-9.10048830 -4.73942848 2.14886396
0.00025365 -0.00066874 0.00050455
-0.01205188 0.01087673 -0.01100100
-6.38724236 -4.87713468 2.61572697
0.00004499 -0.00029806 0.00024826
0.00799300 0.00573770 0.00683267
3.43569740 -1.26504911 8.65846426
0.00026976 -0.00018031 -0.00085864
-0.01837197 0.02529210 0.02262766
1.52193443 0.82075651 8.34761555
-0.00056824 -0.00001275 0.00014481
-0.01764122 0.02279123 -0.02281961
-30.61272476 -0.34630961 3.56502770
0.00114301 -0.00048061 -0.00095519
-0.00562099 0.01773346 -0.00730651
-33.06045149 1.13869494 3.88256590
0.00020135 -0.00015960 0.00084433
-0.03036098 0.00257183 0.00169222
15.25469164 12.14622965 -18.58933582
0.00062188 0.00068197 0.00111050
0.02640863 0.01336991 0.02277270
18.03804392 12.04411942 -17.36657632
-0.00052954 -0.00088461 -0.00068686
-0.02121347 0.00876422 -0.00839749
-2.36187456 6.12911099 4.85956713
0.00039561 -0.00092768 -0.00037409
-0.02297167 -0.01923453 -0.01604568
-3.55404063 5.62192111 2.30231595
0.00056234 -0.00058661 -0.00035616
-0.00315845 0.01184030 -0.02668318
6.02440016 17.47460866 -8.27862533
-0.00052443 0.00088519 0.00042249
-0.02829379 -0.01165574 0.02834785
5.62440125 18.39343878 -5.53531735
0.00029794 -0.00108229 -0.00020046
0.02313720 0.02223657 0.02662647
8.93192653 6.46654881 -22.68681142
-0.00059412 0.00047069 -0.00033462
0.00179592 0.00857183 0.00733675
9.53677060 7.87806718 -20.03823650
-0.00037470 0.00117687 -0.00011491
0.02721952 0.00156595 0.01693049
19.53929718 20.34720550 -4.40679611
-0.00030723 -0.00108002 -0.00033606
0.00183208 0.00325405 0.00560521
21.34029595 19.47532851 -6.42788869
0.00090188 -0.00076906 0.00012658
0.02057050 0.01436183 -0.01478390
1.66900924 13.14074094 -20.37998917
0.00057613 -0.00000874 0.00118750
0.00997921 -0.00598699 0.00434504
0.28910585 15.08615612 -21.85491031
-0.00048167 0.00078827 -0.00019096
-0.00481077 0.01115381 -0.00198164
9.80077692 -7.01192938 -0.50957525
0.00005439 -0.00003171 -0.00021973
-0.01559152 -0.03713284 -0.01215800
9.40418029 -4.21017079 -0.31605645
0.00048590 0.00053141 0.00011398
-0.01358306 0.02239823 -0.00423018
-17.07279873 -6.47528190 6.23767966
0.00045284 0.00046335 -0.00002616
0.00201277 0.00435061 -0.00188766
-17.91735733 -5.31630882 3.75082753
0.00109116 -0.00014131 -0.00054984
-0.00957882 -0.00154535 -0.01263213
-14.19293955 -0.92087052 18.96937137
0.00018014 -0.00049956 0.00096936
-0.00293353 -0.00114566 0.00600370
-15.18996091 -0.25149081 21.60170941
-0.00006782 -0.00047857 0.00018279
-0.00885667 0.01026335 0.01248140
-0.23754674 2.83539096 -3.32544724
-0.00038108 -0.00066417 -0.00017724
0.00895579 0.01288550 -0.02956733
1.27248016 2.23290193 -5.80824963
0.00016340 -0.00028794 0.00103400
-0.00979834 0.00661038 0.00884457
20.27456304 -8.88885291 -6.05077762
0.00002479 0.00058498 -0.00068168
-0.01185968 -0.01024056 0.02598942
22.54667658 -9.05985693 -4.46345305
0.00013780 0.00056712 -0.00033642
-0.02494210 -0.01653378 0.01728542
4.48607806 -11.23493763 6.40143461
-0.00185661 -0.00008789 -0.00013145
0.00237727 -0.00718953 0.00332460
2.41225865 -11.13226809 8.57772884
0.00053842 0.00073254 -0.00068396
0.01409028 -0.00012787 -0.02284334
-2.54832140 -3.42636878 -20.19223093
0.00108122 0.00025191 0.00092666
0.01866704 0.02594447 0.00646979
-3.07151366 -1.74907234 -17.89122143
-0.00056449 -0.00057185 0.00041636
0.01463389 0.00531426 -0.00282317
1.28204518 5.65362813 -11.20362335
-0.00091032 -0.00037231 0.00064073
-0.04386805 -0.00276458 -0.01075439
-1.02028563 4.59959616 -9.77144371
-0.00021233 0.00042768 0.00037609
-0.01848554 -0.01914252 0.03540582
-3.98178194 17.03190990 14.64618828
-0.00034882 -0.00062604 -0.00044684
-0.01844914 -0.02611585 -0.00675543
-6.58382117 16.08712784 13.42587205
0.00029051 0.00005800 -0.00016195
0.00951792 0.00162571 0.01084830
-5.14571353 2.13717062 -6.67813226
0.00058263 0.00028423 -0.00037311
-0.00072128 -0.00535284 0.01171541
-5.21881741 2.07047570 -9.64325309
0.00033174 0.00067810 -0.00013243
-0.00330414 0.01943610 0.01522318
-9.17750717 -1.61651783 -4.36346301
0.00030341 -0.00058913 0.00000834
-0.00491827 -0.03532242 -0.00808871
-9.58093803 0.67341213 -2.95998116
-0.00066902 -0.00031750 0.00096252
0.00153022 0.01681104 0.00780126
2.38148842 29.07422031 4.52370905
0.00083857 -0.00090637 0.00024341
0.02082961 -0.02239714 0.00484628
1.98793974 27.97048640 7.08851076
-0.00069298 -0.00082804 -0.00004158
0.01107977 -0.00865012 -0.00052473
6.72233578 -9.54020854 -2.55994758
-0.00082402 0.00054071 0.00148482
0.04274954 -0.00949827 0.01373082
8.92528559 -11.20060846 -1.15757222
-0.00060000 -0.00099928 -0.00064393
-0.01061753 0.01033397 -0.00845799
-5.13430392 -0.15115739 9.20505911
-0.00025558 0.00062374 -0.00086293
-0.03324470 0.01366332 0.00985208
-8.06048628 1.13924522 9.93251502
-0.00019377 0.00044205 -0.00003205
0.01920429 -0.00919652 -0.00091811
18.98916680 9.71900507 7.46561376
0.00025553 -0.00020529 -0.00116503
0.01081688 -0.00551200 0.00132177
21.54989983 9.94885472 6.00079125
-0.00032235 -0.00057680 0.00023923
0.05444881 0.01830198 0.01302639
-3.36067062 0.60857764 -22.39468462
-0.00074471 -0.00029100 0.00124436
0.00509236 -0.00658087 -0.02394666
-5.14257482 0.28727328 -24.67753195
0.00136471 -0.00002226 -0.00005756
-0.01753258 0.00409197 -0.00427901
-12.77400966 9.60028624 10.54971986
0.00030594 0.00030946 -0.00073582
0.00376694 0.00349767 -0.00799902
-13.88420688 9.44755794 7.82950420
-0.00043748 -0.00042455 0.00022732
0.00460045 0.00864309 -0.00915533
-13.48471119 3.99399531 -4.85065899
0.00062786 -0.00083769 -0.00019374
-0.00964853 0.03964337 0.01505419
-15.19414149 6.53757515 -4.51540990
-0.00013936 -0.00060954 0.00119676
0.00591877 -0.01007379 -0.00453569
-5.37212126 -15.91027140 20.97616740
-0.00037976 0.00003738 0.00009768
-0.00883236 -0.01193453 0.00427817
-2.93263496 -15.09785470 19.70880968
0.00046108 0.00081243 -0.00004639
0.00275362 0.00105888 -0.00580819
-6.50066378 6.86315266 -6.60401960
0.00031922 0.00040910 -0.00009936
0.00372426 -0.01722090 -0.00407946
-8.15090256 9.14514966 -5.87696878
-0.00049146 -0.00019167 -0.00130494
0.02000164 0.00210626 -0.00474047
-21.02942590 30.75611473 0.17514424
-0.00028727 -0.00069983 0.00007344
-0.01544425 0.00041700 -0.01319038
-18.14607998 30.18292632 0.37199017
-0.00032327 -0.00071549 -0.00094771
-0.02385664 0.00681476 0.02240580
8.94885407 3.06343457 7.02061897
0.00055497 0.00038719 0.00077055
-0.01749781 -0.00734748 -0.01876137
9.61295219 5.52345133 8.56611357
-0.00066613 0.00100081 0.00035685
0.00697782 -0.01961980 -0.01075860
8.51421173 17.75362575 -12.35405499
-0.00051770 -0.00050816 -0.00014198
-0.01175680 -0.00460287 0.00097688
8.53901715 15.13107364 -11.47536128
-0.00032597 -0.00063222 -0.00016003
-0.01360873 0.00312238 0.00432737
13.11116537 5.70918044 0.07811161
0.00134788 -0.00046603 0.00059981
-0.01574369 0.02373890 0.01504053
14.09848728 3.11028429 1.07617039
-0.00137504 0.00026509 0.00085024
-0.00844388 0.02697622 -0.02610785
-4.76170120 12.12349358 -2.66908881
0.00009646 0.00200115 -0.00084495
0.01595185 0.00962747 -0.02484695
-5.36476070 10.15387970 -0.92606515
-0.00061429 0.00020536 0.00002023
-0.00304958 -0.00775000 0.01075324
7.87971430 12.86228721 4.68139900
0.00012461 0.00065616 -0.00051230
-0.00353109 0.01871064 -0.00481803
10.20295522 11.14239337 4.57682213
0.00004236 -0.00067958 0.00006675
0.02130938 -0.00530763 -0.00359743
19.23265700 -10.67171229 -9.06147670
0.00035820 0.00142052 0.00043503
-0.00280661 -0.00078344 -0.00752575
20.59556491 -12.93341076 -10.31983160
0.00026234 -0.00084170 0.00030415
-0.01122241 0.02840614 -0.01183712
19.25877348 -4.96283422 -1.78411712
0.00082410 -0.00024173 -0.00073797
0.00153503 -0.00636376 0.00037822
18.29546928 -7.30911716 -0.20779526
0.00025446 0.00056648 -0.00009715
0.00109779 0.00577061 -0.00115129
14.68563690 8.88682609 9.28018152
-0.00061201 -0.00099917 -0.00000827
-0.00821660 0.00967448 -0.00063788
16.59474815 7.93751373 11.23723421
-0.00014121 0.00032566 -0.00013129
0.00266198 0.00301626 0.01231408
2.88402699 -16.09579851 17.43876906
-0.00002013 -0.00066217 -0.00076905
-0.01089460 0.02460948 -0.00602069
3.24611310 -12.87780050 17.05705604
0.00001724 -0.00035422 -0.00061502
-0.00148713 -0.03206251 0.00304958
-4.56611258 -4.22160881 -13.69253477
-0.00060969 0.00077133 -0.00000339
0.00145781 0.00813047 -0.00056844
-2.15968302 -2.36575830 -13.37888697
-0.00063557 -0.00056805 -0.00021855
0.00439720 -0.00345690 -0.00050238
16.16046298 -7.43601388 -14.77291256
0.00064056 -0.00063901 0.00001090
0.00612762 0.00511327 0.01038404
17.26480608 -7.31810130 -11.88753425
-0.00020851 0.00082622 0.00007635
-0.00379700 0.00251481 -0.00263609
9.16111773 -4.21694522 5.60147386
-0.00026402 0.00011281 0.00085777
-0.01475472 -0.00041436 -0.01426576
12.15286484 -4.04810055 5.69127802
-0.00055906 0.00121409 -0.00091564
-0.03302626 -0.01144055 0.01470409
-20.99629517 -0.35372632 24.84656838
0.00004917 -0.00017645 0.00097307
0.01514148 0.03686030 0.01050238
-20.13739541 2.65974095 25.16260850
-0.00065127 0.00046644 -0.00017108
-0.01919238 0.01593233 0.00317469
24.82398780 -2.34323449 -6.93628219
0.00094573 0.00028695 0.00002618
-0.00085160 0.00781130 -0.01148635
23.99234559 -0.60672169 -9.22193397
-0.00015585 0.00012055 0.00066823
0.00248445 0.00068866 -0.01455649
12.37994988 -9.92477119 -9.43980356
-0.00035047 0.00119792 0.00035410
-0.01587948 0.00652247 -0.02434938
12.62630209 -8.52814022 -12.04969262
0.00023326 -0.00051289 0.00028515
-0.01212579 -0.01555743 0.00798572
-8.88397987 -9.38631644 18.35542793
0.00123196 -0.00105215 -0.00036012
-0.00372812 -0.00384449 -0.00292532
-11.56272113 -9.28941499 16.98928240
-0.00036251 0.00059000 0.00080188
0.03826278 -0.01536937 0.00947789
8.64712510 0.27675504 -29.89836055
0.00041351 0.00045110 0.00083941
-0.00566531 0.00973504 -0.00413613
5.59131871 0.24197361 -29.29573868
-0.00024601 -0.00097955 -0.00045147
0.02412645 0.00085732 0.00062192
12.60118542 19.63026047 12.43954333
0.00013892 -0.00062016 0.00015497
-0.00273347 0.00363777 0.00986351
13.14209181 17.67883421 10.47518005
-0.00127079 0.00052930 0.00014269
-0.00888520 -0.00539192 0.03269851
27.81323578 7.69298530 -11.58391613
-0.00047692 -0.00018311 0.00011857
0.00155894 -0.00095151 0.00176957
25.77919458 7.21525469 -9.39644362
0.00058504 0.00053326 0.00030134
0.01281772 0.00881188 0.01328408
-6.97133354 4.51520541 6.63330066
0.00024847 -0.00013154 -0.00013792
-0.00232240 -0.00046091 -0.00547162
-8.82261708 8.66454096 3.87863357
0.00018334 -0.00014940 -0.00000958
-0.00385033 -0.00255522 -0.00211056
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08002176
0.32553411
433.75787866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3508881628 (a.u.)
total exchange computation time: 3.0891129971 s
-153.8596059936
-931.40471664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3508446430 (a.u.)
total exchange computation time: 3.0847859383 s
-153.8608865620
Anderson extrapolation: theta=1.3428720677 (1.3428720677)
-931.40493898
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3507121819 (a.u.)
total exchange computation time: 3.0836298466 s
-153.8632227222
Anderson extrapolation: theta=0.0496896616 (0.0496896616)
-931.40507057
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3506442237 (a.u.)
total exchange computation time: 3.0857090950 s
-153.8638845602
Anderson extrapolation: theta=1.9125990988 (1.9125990988)
-931.40507527
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3504931410 (a.u.)
total exchange computation time: 3.0854299068 s
-153.8652879795
Anderson extrapolation: theta=0.2161224868 (0.2161224868)
-931.40508011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3504536899 (a.u.)
total exchange computation time: 3.0875878334 s
-153.8656099676
Anderson extrapolation: theta=1.9203507744 (1.9203507744)
-931.40508103
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3503932804 (a.u.)
total exchange computation time: 3.0855181217 s
-153.8660675611
Anderson extrapolation: theta=0.2826206414 (0.2826206414)
-931.40508219
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3503920131 (a.u.)
total exchange computation time: 3.0849618912 s
-153.8660408422
Anderson extrapolation: theta=1.3063987815 (1.3063987815)
-931.40508247
30.506723 65.965765 -251.287481
544.915741 1080.902853 -416.542596
575.422464 1146.868618 -667.830078
1446.518458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0638081395
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3504019987 (a.u.)
total exchange computation time: 3.0855910778 s
678.51631148
-1082.96766468
89.81722067
-389.65495874
-174.76558942
77.83691036
551.60419304
0.00000000
-931.40508269
3.47548793 -31.09519763 -3.84271942
-0.00022846 0.00046198 0.00003161
0.01653523 -0.01422901 -0.03380520
-11.21072598 2.10244198 -9.38970313
-0.00007435 -0.00021689 -0.00022458
-0.03117139 -0.01645469 -0.01544445
-36.82683272 2.04864743 4.02100132
0.00036300 0.00014804 0.00014662
-0.01246667 0.00607475 -0.00999131
-7.74765767 -3.67566009 2.83640442
-0.00015911 -0.00021099 -0.00029635
0.00069548 -0.01511197 0.00421215
2.41313858 0.01190072 9.64216361
0.00020822 0.00004627 -0.00010685
0.03704177 -0.04980273 -0.00482425
-31.34111674 1.39641671 3.50312816
-0.00017712 -0.00003482 0.00009253
0.04445421 -0.02923921 0.00607396
16.56919804 13.21657307 -17.65728144
0.00019043 0.00010129 0.00004276
0.00008114 -0.00773448 -0.00553324
-3.39326823 4.84658590 3.88911075
-0.00017884 -0.00009387 -0.00054057
0.02359092 -0.00230948 0.04655230
4.83592787 17.34238443 -6.71226471
0.00008804 -0.00004238 -0.00031245
0.00796989 -0.01758725 -0.05687690
8.33374402 7.56090458 -21.30784213
0.00007405 0.00033836 -0.00021536
-0.03668168 -0.01121552 -0.03394130
20.10799640 18.85867081 -5.31387084
0.00050089 0.00027705 0.00009619
-0.02601399 -0.02489756 0.01026486
2.00234843 14.61542523 -21.38648666
-0.00014375 -0.00018792 0.00008078
-0.00838635 -0.00113043 0.00230589
10.58129589 -5.51440234 0.02073373
0.00020962 0.00007826 -0.00000922
0.03546901 0.01432280 0.02114499
-16.44528559 -5.61240614 4.74371405
-0.00004022 -0.00015494 -0.00010243
0.01340313 -0.00407479 0.01691874
-14.20009238 -1.46737541 20.74041978
-0.00003244 0.00030463 -0.00023395
0.00755477 -0.00857030 -0.01219969
0.54379291 3.66186609 -4.84679556
-0.00044055 0.00006783 -0.00006568
-0.00045754 -0.02144849 0.02588416
20.68548387 -9.58190352 -4.35602559
-0.00051089 -0.00003372 -0.00035783
0.03248143 0.02620931 -0.04526165
2.74463727 -10.86388526 6.75095778
0.00003243 -0.00002377 0.00011957
-0.02962086 0.01147633 0.01721659
-1.91773284 -1.81969345 -19.33394387
-0.00028187 -0.00017843 0.00005150
-0.02720435 -0.02194966 0.00036809
-0.64949310 5.34816941 -11.32472121
0.00000233 0.00043098 -0.00019768
0.04863448 0.01899558 -0.02075757
-4.87073435 15.51507161 13.88785930
0.00010621 0.00022690 0.00069043
0.00761071 0.01877148 0.00494368
-4.97913823 3.20864427 -8.11431795
0.00000496 0.00021586 -0.00017709
0.00369354 0.00324795 -0.00798955
-8.49624518 0.01134964 -4.25353509
0.00033391 -0.00014179 0.00026767
0.00064155 0.01611472 0.00916047
3.06089348 27.67604373 5.61626955
0.00004406 -0.00016067 -0.00021355
-0.02787423 0.02510687 0.00177507
8.60316162 -9.61182988 -2.09093023
-0.00020132 0.00003028 -0.00000567
-0.04436700 -0.01113359 -0.00178738
-6.21349210 1.30792416 10.06405328
0.00022899 -0.00031612 0.00004227
0.00187622 -0.02093360 -0.03154578
19.86836625 9.55249963 5.85249879
0.00024763 0.00005546 -0.00020028
-0.05822323 -0.01265968 -0.01381799
-3.39794088 0.53747599 -24.28318734
-0.00016576 -0.00016262 -0.00014598
0.02209040 0.00509578 0.03948114
-13.67483070 8.50773216 9.38459546
-0.00013730 0.00010930 -0.00019178
-0.00385051 -0.01628414 0.01585394
-13.63035542 5.68474272 -3.97154148
0.00027091 -0.00009708 -0.00012701
0.00593498 -0.03453854 -0.01260523
-3.77832656 -15.06799083 21.31386543
0.00002700 0.00001456 0.00012593
0.00599868 0.00522189 -0.00397410
-6.41514068 8.64431444 -6.36229390
-0.00023671 0.00006059 0.00029873
-0.01564127 0.01189199 0.00254198
-19.72454225 30.52319884 1.37345961
0.00009611 0.00038242 0.00021659
0.03865908 -0.00455817 -0.01357289
10.21625265 3.77716686 8.06810092
-0.00021698 0.00014832 -0.00016888
0.02045217 0.04128600 0.03905501
7.30621721 16.52440003 -11.64903007
-0.00022180 0.00009502 0.00023818
0.01859301 -0.00420230 0.00481719
14.08597803 4.32137436 -0.43714783
0.00008617 -0.00035232 0.00025385
0.02218641 -0.05099677 0.00434984
-5.89658895 11.86480372 -1.31017579
-0.00026857 -0.00010555 -0.00000527
-0.00558554 0.01386244 0.00381524
8.43724003 11.16277046 4.92966386
0.00015902 -0.00068497 0.00009042
-0.02709119 0.00340292 0.01108171
19.90352568 -11.18771723 -10.69772551
0.00010749 -0.00004187 -0.00034108
0.01291522 -0.03332437 0.02234159
19.28196242 -5.72595064 -0.10844395
0.00005126 0.00011658 0.00027196
-0.00436930 -0.00547828 -0.00800024
15.82456745 7.54736460 9.65726045
-0.00025339 -0.00002257 0.00008775
0.00225196 -0.01223928 -0.01007287
3.73279718 -14.63460587 16.60031481
-0.00016131 0.00003191 0.00007140
0.01168031 0.00442856 -0.00111690
-3.80515659 -2.48669636 -14.14199301
-0.00012951 0.00031509 -0.00039854
0.00390440 0.01855663 -0.00290035
16.27476508 -6.39708250 -13.15102795
-0.00006021 0.00000516 0.00006772
-0.01234733 -0.03249145 -0.02496815
10.57179636 -4.56342117 6.66577932
0.00002839 -0.00022199 0.00042919
0.05345453 0.01347486 -0.00402095
-19.63854401 0.95052797 25.24815703
-0.00011301 0.00009121 0.00022799
0.00053072 -0.05010637 -0.00630323
23.96637879 -0.74016029 -7.40475931
-0.00017168 0.00002224 -0.00004887
0.00830037 -0.00946080 0.01916121
11.53246082 -9.74165635 -11.14143789
0.00011111 -0.00000719 0.00021071
0.02687538 0.00781479 0.02366411
-9.76523067 -9.90055575 16.82875645
-0.00004786 0.00017869 0.00027877
-0.03321506 0.01543410 -0.01433223
7.32129912 -0.05618398 -28.65419829
-0.00004969 -0.00041559 -0.00009689
-0.01690917 -0.00369018 0.00696134
12.60291666 17.81461052 12.30194924
0.00008897 0.00023440 -0.00002562
0.01167542 0.00257027 -0.03610594
26.01570777 7.59176511 -11.16258625
0.00013802 0.00026846 -0.00003741
-0.01502996 -0.00217914 -0.00170673
4.22186084 -29.76518328 -4.88633513
0.00100540 0.00000660 -0.00046138
-0.00373220 0.00159443 -0.00531630
3.21113529 -30.39850119 -2.21833934
-0.00057719 0.00012278 -0.00011755
-0.00987916 0.01161555 0.03768963
-9.62534629 2.72064581 -8.94056436
-0.00026700 -0.00091329 -0.00003813
0.03428692 0.01416013 0.01666080
-11.61493161 2.85185716 -11.05309981
0.00025333 0.00001049 0.00082028
-0.00159590 -0.00389876 -0.00061829
-36.85082849 3.56975494 2.95503526
-0.00038443 0.00064882 -0.00014686
0.00056389 -0.00848191 0.01142775
-38.64281137 1.56452604 4.11189456
0.00164632 0.00032231 0.00018931
0.01276717 0.00120148 -0.00380545
-9.09705293 -4.74912627 2.15609513
0.00020081 -0.00062637 0.00045743
-0.01381169 0.00986113 -0.01206504
-6.38632263 -4.88142976 2.61966026
0.00007636 -0.00027279 0.00027627
0.00736293 0.00663000 0.00687766
3.43918080 -1.26697880 8.64627801
0.00019150 -0.00007286 -0.00076319
-0.01993820 0.02730527 0.02409797
1.51287027 0.82126371 8.34908850
-0.00063781 0.00007765 0.00005490
-0.01641400 0.02145647 -0.02119387
-30.59575179 -0.35297542 3.55047603
0.00111361 -0.00039937 -0.00098454
-0.00877245 0.02203507 -0.00706230
-33.05836152 1.13637970 3.89528265
0.00007554 -0.00015083 0.00085210
-0.03122513 0.00172283 0.00211232
15.26482907 12.15686888 -18.57198050
0.00071980 0.00073113 0.00119644
0.02152374 0.01069551 0.01929449
18.02945075 12.03111880 -17.37713649
-0.00061323 -0.00084754 -0.00071957
-0.01975262 0.00938170 -0.00761351
-2.35664428 6.11460632 4.85346403
0.00030253 -0.00100425 -0.00043925
-0.02259538 -0.01824453 -0.01585018
-3.54570233 5.61348481 2.29615595
0.00054902 -0.00053464 -0.00047189
-0.00336118 0.01359589 -0.02997040
6.01566671 17.48752940 -8.27141929
-0.00063504 0.00083664 0.00053114
-0.02585247 -0.01211131 0.02483528
5.62957933 18.37788579 -5.53750829
0.00039547 -0.00098743 -0.00008557
0.02460561 0.02420062 0.02961219
8.92306981 6.47387178 -22.69160585
-0.00058351 0.00050370 -0.00030587
0.00339506 0.00758875 0.00673344
9.53198419 7.89576826 -20.03944130
-0.00026248 0.00118254 -0.00004634
0.02771121 0.00120664 0.01663369
19.53474486 20.33110490 -4.41166529
-0.00030255 -0.00105314 -0.00030734
0.00046013 0.00990639 0.00845356
21.35445449 19.46423271 -6.42644303
0.00098539 -0.00070857 0.00006722
0.02030864 0.01524894 -0.01427286
1.67795705 13.14042636 -20.36204359
0.00061521 -0.00002768 0.00120078
0.00914971 -0.00328319 0.00215915
0.28173334 15.09832200 -21.85783549
-0.00049325 0.00082854 -0.00019472
-0.00085640 0.00855955 0.00014313
9.80111498 -7.01354289 -0.51324383
-0.00000738 -0.00017835 -0.00026791
-0.01464328 -0.03464657 -0.01142169
9.41105251 -4.20151329 -0.31447638
0.00043220 0.00061990 0.00009703
-0.01270390 0.02091930 -0.00406850
-17.06594442 -6.46819836 6.23722936
0.00045770 0.00047851 -0.00002997
0.00036682 0.00307000 0.00002541
-17.90128346 -5.31847582 3.74219277
0.00104239 -0.00014656 -0.00060657
-0.01429499 -0.00102653 -0.01513300
-14.19032739 -0.92839910 18.98409574
0.00016770 -0.00049783 0.00097604
-0.00315462 0.00199609 -0.00273538
-15.19124968 -0.25835489 21.60483369
-0.00010665 -0.00043318 0.00023527
-0.01014840 0.01195741 0.01320730
-0.24298845 2.82582330 -3.32901187
-0.00034493 -0.00060891 -0.00029784
0.00873755 0.01416119 -0.02946893
1.27463098 2.22878545 -5.79246858
0.00012431 -0.00026081 0.00106722
-0.00933861 0.00667038 0.00741480
20.27457146 -8.88039199 -6.06020645
-0.00002326 0.00054116 -0.00057157
-0.01166031 -0.01120812 0.02791274
22.54797927 -9.05185682 -4.46796975
0.00002981 0.00049724 -0.00026496
-0.02792074 -0.01767235 0.01769534
4.45830171 -11.23647630 6.39956474
-0.00181813 -0.00012326 -0.00012411
0.01646179 -0.01012230 0.00026884
2.42076675 -11.12128384 8.56676951
0.00059275 0.00072996 -0.00076444
0.01250287 -0.00113774 -0.01655503
-2.53153105 -3.42179514 -20.17813283
0.00115256 0.00034817 0.00094710
0.01625276 0.02117718 0.00353894
-3.07953255 -1.75748727 -17.88506249
-0.00050089 -0.00055016 0.00040036
0.01649586 0.00530369 -0.00500885
1.26704607 5.64795883 -11.19434194
-0.00107975 -0.00038107 0.00059581
-0.03906672 -0.00152558 -0.01123492
-1.02403700 4.60542481 -9.76471743
-0.00028677 0.00035442 0.00050985
-0.01795407 -0.01671823 0.03007251
-3.98757958 17.02171900 14.63927872
-0.00041738 -0.00072089 -0.00046841
-0.01511386 -0.02031434 -0.00380269
-6.57917182 16.08804765 13.42377527
0.00032880 0.00006477 -0.00011753
0.00922267 0.00168934 0.01089573
-5.13699620 2.14127003 -6.68336988
0.00057940 0.00025985 -0.00032229
-0.00086076 -0.00658027 0.01316209
-5.21394258 2.08124279 -9.64477299
0.00031796 0.00075460 -0.00007247
-0.00343996 0.01801118 0.01412452
-9.17310680 -1.62643712 -4.36358574
0.00028683 -0.00072444 -0.00002385
-0.00319579 -0.03091325 -0.00766972
-9.59092649 0.66916477 -2.94530432
-0.00065252 -0.00025550 0.00098239
0.00654830 0.01353754 0.00192412
2.39470528 29.05993841 4.52750865
0.00091817 -0.00098732 0.00025604
0.01813517 -0.01722789 0.00133768
1.97788457 27.95780078 7.08787094
-0.00064375 -0.00086367 -0.00004949
0.01301723 -0.00879135 -0.00334378
6.71128542 -9.53238888 -2.53725446
-0.00064692 0.00050205 0.00153949
0.04394289 -0.00943030 0.01302731
8.91596023 -11.21528093 -1.16749041
-0.00064302 -0.00095162 -0.00068039
-0.01044204 0.01299575 -0.00938622
-5.13915627 -0.14138256 9.19241710
-0.00038944 0.00067673 -0.00082272
-0.03228482 0.01227192 0.00982963
-8.06280435 1.14559417 9.93200617
-0.00011078 0.00040453 -0.00003599
0.02142067 -0.00916951 -0.00101167
18.99333126 9.71575682 7.44817884
0.00029333 -0.00022664 -0.00114807
0.00768562 -0.00493794 0.00697800
21.54673302 9.94076350 6.00477894
-0.00008860 -0.00049959 0.00029347
0.05997469 0.01949397 0.01352183
-3.37168522 0.60401098 -22.37675308
-0.00072339 -0.00031825 0.00113016
0.00534377 -0.00676046 -0.03195111
-5.12264139 0.28706482 -24.67852655
0.00126836 -0.00000882 -0.00008087
-0.02963117 0.00248533 -0.00713107
-12.76930506 9.60503535 10.53843747
0.00032153 0.00032358 -0.00076771
0.00386140 0.00341214 -0.00761230
-13.89062809 9.44145456 7.83263352
-0.00041989 -0.00038502 0.00018204
0.00400931 0.01070520 -0.01301209
-13.47558903 3.98264474 -4.85310374
0.00058669 -0.00066893 -0.00012910
-0.01050052 0.04296655 0.01658536
-15.19605054 6.52812340 -4.49759751
-0.00011817 -0.00064952 0.00117570
0.00445606 -0.00949951 -0.00577087
-5.37808835 -15.91007635 20.97776363
-0.00041001 -0.00000910 0.00011491
-0.00597507 -0.01082022 0.00416055
-2.92563433 -15.08563581 19.70793591
0.00046815 0.00081630 -0.00006502
0.00070562 0.00083526 -0.00331101
-6.49576136 6.86876146 -6.60563504
0.00033409 0.00033397 -0.00011664
0.00355545 -0.01955728 -0.00437853
-8.15766151 9.14233915 -5.89668820
-0.00041273 -0.00018232 -0.00132245
0.01853402 0.00247095 -0.00382892
-21.03420821 30.74563009 0.17584167
-0.00034793 -0.00069870 0.00002347
-0.01425028 0.00013386 -0.01126993
-18.15166012 30.17240278 0.35846111
-0.00042366 -0.00068608 -0.00085230
-0.02528548 0.00758230 0.02429975
8.95664249 3.06901727 7.03160235
0.00046955 0.00034964 0.00068291
-0.02431770 -0.01103209 -0.02413793
9.60317413 5.53786227 8.57113664
-0.00063435 0.00091155 0.00031010
0.00857523 -0.02407197 -0.01212822
8.50608591 17.74586227 -12.35615475
-0.00056143 -0.00052259 -0.00013992
-0.00964827 -0.00245889 0.00003275
8.53371056 15.12168599 -11.47762911
-0.00038496 -0.00061474 -0.00014271
-0.01526833 0.00543605 0.00415187
13.13090118 5.70291738 0.08756971
0.00127667 -0.00035758 0.00066330
-0.01911381 0.02934863 0.01603473
14.07760296 3.11508729 1.08812392
-0.00140680 0.00037257 0.00074267
-0.00710495 0.02563321 -0.02654838
-4.75976550 12.15380581 -2.68252450
0.00014882 0.00203329 -0.00092813
0.00968057 0.00610783 -0.01586693
-5.37406851 10.15672257 -0.92543218
-0.00062313 0.00017012 0.00006202
-0.00127833 -0.00950060 0.00970323
7.88147522 12.87270302 4.67356682
0.00011721 0.00071027 -0.00052868
-0.00008813 0.00777401 -0.00319878
10.20424355 11.13203700 4.57771312
0.00013091 -0.00070105 0.00005186
0.02204004 -0.00520249 -0.00368994
19.23794404 -10.65042842 -9.05518180
0.00035238 0.00141141 0.00039120
-0.00004320 -0.00367856 -0.01393004
20.59915616 -12.94516587 -10.31563211
0.00021275 -0.00071676 0.00025459
-0.01305316 0.03275681 -0.01242187
19.27118208 -4.96665524 -1.79517509
0.00083053 -0.00027134 -0.00072619
0.00161285 -0.00812886 0.00538946
18.29931987 -7.30044314 -0.20928779
0.00025599 0.00058452 -0.00010139
-0.00035284 0.00306226 -0.00092532
14.67620503 8.87213502 9.28003788
-0.00065038 -0.00095368 -0.00001227
-0.01056823 0.01259333 -0.00132107
16.59271155 7.94249111 11.23564225
-0.00013013 0.00033871 -0.00008051
0.00276447 0.00336844 0.01254221
2.88339126 -16.10497690 17.42704883
-0.00006541 -0.00055976 -0.00079289
-0.01127085 0.02551889 -0.00564819
3.24632613 -12.88409637 17.04792423
0.00000808 -0.00047828 -0.00059962
-0.00299843 -0.02866252 0.00448897
-4.57521329 -4.20978970 -13.69260298
-0.00060441 0.00080323 -0.00000636
0.00112589 0.00748373 -0.00088555
-2.16908190 -2.37438496 -13.38218060
-0.00061096 -0.00058096 -0.00021766
0.00765364 -0.00286297 0.00093767
16.17025918 -7.44544233 -14.77243089
0.00066523 -0.00061566 0.00005596
0.00594806 0.00631676 0.01167184
17.26156207 -7.30563094 -11.88646974
-0.00022026 0.00083267 0.00006966
-0.00195301 0.00064127 -0.00064176
9.15670529 -4.21526571 5.61390333
-0.00032455 0.00011058 0.00080090
-0.01487727 -0.00067849 -0.01357549
12.14346684 -4.03023971 5.67799402
-0.00069644 0.00116439 -0.00085071
-0.03422020 -0.01288825 0.01707693
-20.99509356 -0.35524361 24.86148633
0.00010994 -0.00002627 0.00101458
0.01460248 0.03665443 0.00981709
-20.14775251 2.66722584 25.16013952
-0.00072641 0.00052150 -0.00015740
-0.01758989 0.01101881 0.00352193
24.83814763 -2.33869095 -6.93624153
0.00093978 0.00032146 -0.00002169
-0.00206057 0.00908200 -0.01194173
23.99008390 -0.60489233 -9.21235663
-0.00014551 0.00012416 0.00059806
0.00257987 0.00107645 -0.01979147
12.37420624 -9.90660251 -9.43523820
-0.00041454 0.00122267 0.00025750
-0.01548387 0.00559470 -0.02293938
12.62942940 -8.53631026 -12.04517059
0.00018595 -0.00057321 0.00031459
-0.01103249 -0.01397158 0.00642500
-8.86561465 -9.40221656 18.34993650
0.00121716 -0.00106603 -0.00036776
-0.00351686 -0.00294606 -0.00081249
-11.56698636 -9.28103590 17.00160105
-0.00020115 0.00052577 0.00084128
0.04072678 -0.01607263 0.00980736
8.65315418 0.28381986 -29.88589618
0.00039080 0.00049088 0.00081987
-0.00545468 0.00973858 -0.00542514
5.58836783 0.22730666 -29.30249161
-0.00014448 -0.00097533 -0.00044854
0.02557226 0.00120743 0.00080900
12.60318544 19.62106952 12.44217007
0.00012764 -0.00059200 0.00019709
-0.00278824 0.01014760 0.01075425
13.12275770 17.68660845 10.47832232
-0.00130480 0.00050589 0.00026941
-0.00776104 -0.00606746 0.02933529
27.80612970 7.69020947 -11.58208333
-0.00046262 -0.00018628 0.00012372
0.00544165 -0.00059913 0.00075229
25.78836296 7.22352367 -9.39151641
0.00063693 0.00056962 0.00035163
0.01258469 0.00898576 0.01133086
-6.96761267 4.51323114 6.63121724
0.00024761 -0.00013167 -0.00013987
-0.00249643 -0.00031367 -0.00547362
-8.81987373 8.66229546 3.87848615
0.00018246 -0.00015000 -0.00001006
-0.00371347 -0.00261632 -0.00199190
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08000737
0.32507532
433.14656408
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3622176191 (a.u.)
total exchange computation time: 3.1588749886 s
-153.9019527668
-931.40405113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3620485139 (a.u.)
total exchange computation time: 3.1584200859 s
-153.9041830970
Anderson extrapolation: theta=1.3531687322 (1.3531687322)
-931.40428421
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3617305428 (a.u.)
total exchange computation time: 3.1587870121 s
-153.9078616919
Anderson extrapolation: theta=0.0540040107 (0.0540040107)
-931.40442481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3616395763 (a.u.)
total exchange computation time: 3.1597678661 s
-153.9086465278
Anderson extrapolation: theta=2.0595193783 (2.0000000000)
-931.40443070
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3614312832 (a.u.)
total exchange computation time: 3.1604070663 s
-153.9103634594
Anderson extrapolation: theta=0.2662820366 (0.2662820366)
-931.40443758
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3613677006 (a.u.)
total exchange computation time: 3.1601939201 s
-153.9108243413
Anderson extrapolation: theta=1.6921133069 (1.6921133069)
-931.40443913
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3612770808 (a.u.)
total exchange computation time: 3.1588270664 s
-153.9114182576
Anderson extrapolation: theta=0.3273980952 (0.3273980952)
-931.40444094
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3612659137 (a.u.)
total exchange computation time: 3.1583840847 s
-153.9114281713
Anderson extrapolation: theta=1.1464521690 (1.1464521690)
-931.40444144
30.558515 65.949039 -251.218356
544.882133 1080.925385 -416.528612
575.440649 1146.874424 -667.746969
1446.491928
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3612675411 (a.u.)
total exchange computation time: 3.1591281891 s
678.68306331
-1083.32376983
89.80215808
-389.41196347
-174.79266235
78.03386189
551.60419304
0.00000000
-931.40444180
3.47212474 -31.08832285 -3.84237563
-0.00021969 0.00045495 0.00001340
0.01757806 -0.01308634 -0.03701996
-11.21196140 2.09912523 -9.39313137
-0.00009061 -0.00022609 -0.00023139
-0.03205840 -0.01932106 -0.01104767
-36.82143586 2.05089147 4.02316204
0.00035833 0.00015253 0.00014064
-0.00568018 0.01138234 -0.01323427
-7.75004159 -3.67888322 2.83197542
-0.00015821 -0.00021860 -0.00029394
0.00277920 -0.01450264 0.00514715
2.41640479 0.01240266 9.64054219
0.00022700 0.00002086 -0.00011025
0.03597065 -0.04901859 -0.00837936
-31.34360200 1.39578161 3.50453950
-0.00015365 -0.00005062 0.00009554
0.04678911 -0.03221546 0.00562552
16.57205474 13.21806260 -17.65666142
0.00019148 0.00009808 0.00004070
0.00403093 -0.00476779 -0.00248443
-3.39585984 4.84516895 3.88118172
-0.00016690 -0.00009573 -0.00051626
0.02285094 -0.00493608 0.04801239
4.83727923 17.34168085 -6.71717090
0.00009124 -0.00005147 -0.00034095
0.00447441 -0.01776216 -0.05393926
8.33471327 7.56593666 -21.31120350
0.00005494 0.00033297 -0.00023233
-0.03763722 -0.00974057 -0.03201960
20.11540941 18.86273048 -5.31238847
0.00048816 0.00026240 0.00010045
-0.02347213 -0.03206834 0.00632749
2.00015990 14.61260201 -21.38526609
-0.00014884 -0.00018855 0.00008200
-0.01144072 -0.00131922 0.00244356
10.58457705 -5.51317323 0.02067697
0.00022704 0.00008517 0.00000125
0.03225703 0.01254262 0.01958673
-16.44583722 -5.61474590 4.74224291
-0.00003182 -0.00015680 -0.00009367
0.01925865 -0.00317191 0.01712024
-14.20054978 -1.46283905 20.73686341
-0.00002827 0.00029907 -0.00023781
0.00864534 -0.01306128 -0.00278799
0.53718293 3.66280082 -4.84768099
-0.00044077 0.00005660 -0.00005224
-0.00040462 -0.02222408 0.02638707
20.67794586 -9.58230824 -4.36156756
-0.00049355 -0.00001981 -0.00038146
0.03493278 0.02787046 -0.04666482
2.74500943 -10.86419759 6.75281772
0.00001391 -0.00001678 0.00012742
-0.04237435 0.01570270 0.01331949
-1.92206585 -1.82245455 -19.33317000
-0.00029561 -0.00018814 0.00005309
-0.02623810 -0.01580615 0.00583068
-0.64927059 5.35470735 -11.32776655
0.00002556 0.00043960 -0.00020655
0.04169596 0.01454383 -0.01370507
-4.86911186 15.51854747 13.89823486
0.00010917 0.00023479 0.00069200
0.00390753 0.01193954 0.00115740
-4.97904960 3.21189466 -8.11700515
0.00000697 0.00021819 -0.00018105
0.00412996 0.00580549 -0.00740786
-8.49123409 0.00928491 -4.24948472
0.00033244 -0.00013410 0.00027360
-0.00634318 0.01379240 0.01391683
3.06144685 27.67373052 5.61307319
0.00003004 -0.00014922 -0.00021089
-0.02664545 0.01942877 0.00853919
8.59997069 -9.61141859 -2.09102210
-0.00022426 0.00002395 -0.00000616
-0.04483604 -0.01347746 -0.00013948
-6.21004996 1.30310158 10.06456560
0.00022912 -0.00032633 0.00002621
-0.00137702 -0.01877057 -0.03090275
19.87185612 9.55328265 5.84944126
0.00021779 0.00004865 -0.00020898
-0.05781310 -0.01380766 -0.02002220
-3.40034210 0.53505630 -24.28522476
-0.00015137 -0.00015952 -0.00012316
0.03389114 0.00695364 0.04925963
-13.67690507 8.50930892 9.38177994
-0.00013904 0.00010046 -0.00018283
-0.00292248 -0.01811775 0.01894995
-13.62626887 5.68315334 -3.97349532
0.00027450 -0.00011554 -0.00013348
0.00803940 -0.03726480 -0.01255313
-3.77789849 -15.06775226 21.31573908
0.00002986 0.00001694 0.00012327
0.00513673 0.00402478 -0.00639596
-6.41875166 8.64526914 -6.35780310
-0.00024424 0.00006698 0.00029988
-0.01364762 0.01296959 0.00190096
-19.72295154 30.52891758 1.37665612
0.00011570 0.00038000 0.00020862
0.03753807 -0.00487613 -0.01743538
10.21307690 3.77955088 8.06571838
-0.00020514 0.00017142 -0.00014720
0.02556702 0.04855760 0.04526709
7.30296193 16.52580905 -11.64543875
-0.00021245 0.00009174 0.00024089
0.01777902 -0.00853793 0.00569625
14.08735621 4.31589282 -0.43332323
0.00009781 -0.00037917 0.00025592
0.02305231 -0.05340487 0.00368175
-5.90063899 11.86327397 -1.31024019
-0.00027026 -0.00009703 -0.00000538
-0.00101342 0.01924445 -0.00422521
8.43952089 11.15250899 4.93106290
0.00014426 -0.00068052 0.00009567
-0.03030424 0.01390908 0.00932074
19.90518787 -11.18847384 -10.70275560
0.00011385 -0.00005917 -0.00032802
0.01179651 -0.03395122 0.02846307
19.28271441 -5.72422306 -0.10439541
0.00004948 0.00011483 0.00026652
-0.00253591 -0.00131231 -0.01314958
15.82077523 7.54697891 9.65853777
-0.00025167 -0.00002956 0.00008275
0.00445302 -0.01496129 -0.00935817
3.73042252 -14.63411020 16.60138148
-0.00015482 0.00003292 0.00007038
0.01359017 -0.00047480 -0.00286304
-3.80708423 -2.48189842 -14.14798229
-0.00012822 0.00032443 -0.00040043
0.00112261 0.01778015 -0.00446245
16.27381432 -6.39713043 -13.15010843
-0.00006693 -0.00001129 0.00005411
-0.01378606 -0.03149690 -0.02795118
10.57242844 -4.56669899 6.67220174
0.00005588 -0.00021463 0.00042633
0.05342942 0.01512902 -0.00713391
-19.64023707 0.95170288 25.25155258
-0.00011291 0.00006699 0.00022478
-0.00014004 -0.04408513 -0.00618811
23.96383555 -0.73986318 -7.40541849
-0.00016711 0.00001695 -0.00003770
0.00947976 -0.01110014 0.02428986
11.53423114 -9.74173405 -11.13818597
0.00012435 -0.00000343 0.00022283
0.02461030 0.00678650 0.02345616
-9.76607666 -9.89781584 16.83288270
-0.00006538 0.00018651 0.00027082
-0.03494283 0.01496791 -0.01658526
7.32048859 -0.06243207 -28.65562485
-0.00005864 -0.00041756 -0.00009314
-0.01788920 -0.00396214 0.00763586
12.60429622 17.81813643 12.30142562
0.00009465 0.00023422 -0.00004334
0.01042091 -0.00328441 -0.03280081
26.01772013 7.59578364 -11.16315391
0.00012931 0.00026719 -0.00003745
-0.01885920 -0.00277998 0.00154923
4.23682748 -29.76503544 -4.89341869
0.00098660 0.00000891 -0.00047802
-0.00547080 -0.00046374 -0.00283276
3.20217475 -30.39630361 -2.21894766
-0.00061739 0.00017206 0.00003809
-0.00979829 0.01251073 0.03849945
-9.62830057 2.70738037 -8.94062577
-0.00012197 -0.00085378 0.00003184
0.03670519 0.01497008 0.01759009
-11.61118051 2.85189507 -11.04081451
0.00024377 -0.00000093 0.00080765
-0.00308579 -0.00169349 -0.00556381
-36.85657768 3.57922731 2.95318251
-0.00038062 0.00060799 -0.00009570
0.00130223 -0.01150288 0.01361750
-38.61772535 1.56939755 4.11461766
0.00168273 0.00032262 0.00017554
0.00505715 -0.00105245 -0.00293931
-9.09446402 -4.75821971 2.16258689
0.00014144 -0.00058812 0.00040625
-0.01525140 0.00886603 -0.01299078
-6.38495165 -4.88531850 2.62401506
0.00010580 -0.00024518 0.00030456
0.00704712 0.00688547 0.00697033
3.44144227 -1.26723506 8.63556864
0.00010808 0.00004123 -0.00066291
-0.02089239 0.02854605 0.02498827
1.50280015 0.82308590 8.34926256
-0.00070075 0.00016119 -0.00002619
-0.01439748 0.01943900 -0.01849888
-30.57931645 -0.35829077 3.53549153
0.00107185 -0.00030217 -0.00101263
-0.01167099 0.02554683 -0.00668775
-33.05818523 1.13417004 3.90812886
-0.00005111 -0.00014520 0.00086100
-0.03077327 0.00103374 0.00224433
15.27628562 12.16816360 -18.55344270
0.00079593 0.00076830 0.00126703
0.01574038 0.00749750 0.01526029
18.01964702 12.01869316 -17.38816327
-0.00068999 -0.00080846 -0.00074888
-0.01782381 0.00975115 -0.00673680
-2.35279878 6.09898350 4.84638954
0.00021204 -0.00107562 -0.00050265
-0.02169651 -0.01669372 -0.01518187
-3.53757002 5.60588176 2.28815919
0.00053523 -0.00047683 -0.00059847
-0.00339039 0.01470541 -0.03199242
6.00534886 17.49970789 -8.26269119
-0.00073440 0.00078661 0.00062384
-0.02278401 -0.01237756 0.02054337
5.63626540 18.36381596 -5.53788442
0.00049712 -0.00088713 0.00003864
0.02514972 0.02489417 0.03118747
8.91442116 6.48165984 -22.69598761
-0.00056629 0.00053233 -0.00028010
0.00503613 0.00642619 0.00588462
9.52889611 7.91354329 -20.03962669
-0.00015023 0.00118625 0.00001900
0.02723916 0.00061146 0.01534915
19.53022073 20.31561143 -4.41601638
-0.00030370 -0.00099923 -0.00026696
-0.00102373 0.01648238 0.01131590
21.36985767 19.45407146 -6.42587210
0.00106599 -0.00064525 0.00001154
0.01914617 0.01574587 -0.01298193
1.68746562 13.13991056 -20.34396568
0.00065082 -0.00003547 0.00120495
0.00828114 -0.00053168 -0.00011771
0.27430834 15.11101247 -21.86075190
-0.00048901 0.00085819 -0.00018980
0.00293160 0.00595411 0.00226630
9.80055560 -7.01727975 -0.51761241
-0.00006398 -0.00031216 -0.00031216
-0.01306576 -0.03085549 -0.01024353
9.41714616 -4.19157371 -0.31314564
0.00038322 0.00070090 0.00008102
-0.01127119 0.01872946 -0.00376728
-17.05906762 -6.46092668 6.23678063
0.00045573 0.00048835 -0.00002571
-0.00133344 0.00174946 0.00206019
-17.88608567 -5.32070575 3.73263057
0.00097559 -0.00014994 -0.00067279
-0.01840300 -0.00062604 -0.01728234
-14.18790856 -0.93580535 18.99865248
0.00015441 -0.00048288 0.00094557
-0.00335170 0.00531865 -0.01217651
-15.19316040 -0.26448616 21.60876739
-0.00014983 -0.00038205 0.00028986
-0.01098795 0.01307220 0.01351461
-0.24789466 2.81712352 -3.33438253
-0.00031047 -0.00054917 -0.00041654
0.00813021 0.01508526 -0.02863525
1.27620947 2.22507777 -5.77623310
0.00008739 -0.00023382 0.00109427
-0.00873556 0.00654096 0.00582857
20.27386527 -8.87261796 -6.06792461
-0.00007071 0.00049400 -0.00045506
-0.01156790 -0.01187960 0.02911900
22.54757080 -9.04493978 -4.47140197
-0.00008867 0.00042325 -0.00019211
-0.03007585 -0.01854500 0.01796796
4.43153424 -11.23863532 6.39771134
-0.00172121 -0.00017105 -0.00012989
0.03097951 -0.01327358 -0.00310066
2.43004110 -11.11036933 8.55479558
0.00064023 0.00072315 -0.00081724
0.01073766 -0.00219742 -0.00928798
-2.51374463 -3.41592363 -20.16381784
0.00121343 0.00042301 0.00095482
0.01354219 0.01545895 0.00023802
-3.08654046 -1.76557717 -17.87921053
-0.00043041 -0.00052856 0.00037613
0.01800700 0.00527164 -0.00685513
1.24965271 5.64219604 -11.18574907
-0.00122706 -0.00038451 0.00054939
-0.03304101 -0.00015942 -0.01148762
-1.02888870 4.61022886 -9.75614811
-0.00035833 0.00029223 0.00061933
-0.01707487 -0.01372555 0.02351707
-3.99430349 17.01028311 14.63213611
-0.00047091 -0.00078986 -0.00047698
-0.01108565 -0.01344697 -0.00039535
-6.57395724 16.08907099 13.42234625
0.00036542 0.00007184 -0.00007310
0.00870226 0.00176941 0.01085216
-5.12833163 2.14496616 -6.68780085
0.00057573 0.00023109 -0.00026651
-0.00093527 -0.00749989 0.01413952
-5.20927858 2.09311371 -9.64542724
0.00030361 0.00082464 -0.00001777
-0.00358358 0.01627467 0.01265145
-9.16890229 -1.63825096 -4.36417852
0.00027797 -0.00083961 -0.00005396
-0.00114267 -0.02546233 -0.00706789
-9.60051364 0.66574708 -2.93050957
-0.00061601 -0.00020667 0.00097880
0.01132149 0.01036599 -0.00367875
2.40903357 29.04460068 4.53139024
0.00098596 -0.00104553 0.00025321
0.01504746 -0.01126698 -0.00272502
1.96862719 27.94457636 7.08702619
-0.00058711 -0.00089954 -0.00006830
0.01471108 -0.00876675 -0.00586621
6.70292815 -9.52514717 -2.51376294
-0.00046682 0.00046387 0.00159078
0.04421570 -0.00925494 0.01208216
8.90599492 -11.22915694 -1.17798386
-0.00068503 -0.00089382 -0.00072010
-0.01012245 0.01529621 -0.01005222
-5.14598724 -0.13085563 9.18037750
-0.00051867 0.00072349 -0.00078306
-0.03097416 0.01062157 0.00958529
-8.06380962 1.15138115 9.93143531
-0.00001991 0.00036707 -0.00004037
0.02306206 -0.00916886 -0.00113367
18.99796674 9.71220594 7.43117158
0.00031791 -0.00024561 -0.00110751
0.00434412 -0.00434692 0.01287592
21.54724183 9.93386699 6.00959533
0.00016173 -0.00041899 0.00034920
0.06256232 0.01996108 0.01375873
-3.38237232 0.59903000 -22.36077970
-0.00070095 -0.00034610 0.00098604
0.00563933 -0.00687221 -0.03859739
-5.10452393 0.28700868 -24.67995817
0.00112312 -0.00000194 -0.00011579
-0.04146792 0.00088057 -0.00995920
-12.76436381 9.60999357 10.52668856
0.00033745 0.00033729 -0.00079798
0.00393359 0.00330227 -0.00720736
-13.89680359 9.43600727 7.83496538
-0.00040470 -0.00033761 0.00012177
0.00342768 0.01250271 -0.01648854
-13.46711040 3.97392741 -4.85453204
0.00054238 -0.00048883 -0.00005929
-0.01118965 0.04519593 0.01758978
-15.19768649 6.51808945 -4.48013880
-0.00010301 -0.00068704 0.00114979
0.00296258 -0.00886615 -0.00691622
-5.38442163 -15.91054444 20.97961484
-0.00042825 -0.00005090 0.00013173
-0.00295054 -0.00964129 0.00407078
-2.91859047 -15.07336573 19.70685922
0.00046677 0.00081916 -0.00007340
-0.00138176 0.00056725 -0.00079406
-6.49064104 6.87317166 -6.60751883
0.00034831 0.00025086 -0.00013495
0.00340379 -0.02112300 -0.00458511
-8.16328458 9.13968009 -5.91664228
-0.00034087 -0.00017135 -0.00133614
0.01664423 0.00289817 -0.00287074
-21.03986387 30.73515365 0.17584842
-0.00040248 -0.00069880 -0.00001754
-0.01245002 -0.00018297 -0.00880670
-18.15878991 30.16234394 0.34642129
-0.00052834 -0.00065379 -0.00075014
-0.02595597 0.00822537 0.02570596
8.96294057 3.07392387 7.04110640
0.00035768 0.00029775 0.00057450
-0.03044242 -0.01437215 -0.02893362
9.59392161 5.55079793 8.57541643
-0.00059661 0.00080580 0.00025823
0.00990247 -0.02769267 -0.01325826
8.49736878 17.73794809 -12.35825250
-0.00059613 -0.00052793 -0.00014199
-0.00733546 -0.00015592 -0.00104633
8.52746823 15.11263149 -11.47964248
-0.00045012 -0.00058836 -0.00012603
-0.01662744 0.00747690 0.00401084
13.14946559 5.69845299 0.09801052
0.00119382 -0.00022881 0.00072985
-0.02144393 0.03368672 0.01654144
14.05628321 3.12146126 1.09845039
-0.00143301 0.00047350 0.00063445
-0.00572414 0.02377349 -0.02642203
-4.75723652 12.18449237 -2.69693262
0.00017561 0.00205034 -0.00097446
0.00343277 0.00223445 -0.00681371
-5.38345466 10.15898320 -0.92420453
-0.00062486 0.00012832 0.00009937
0.00043119 -0.01095971 0.00858155
7.88323074 12.88359528 4.66553860
0.00012340 0.00072091 -0.00053846
0.00311581 -0.00256713 -0.00158878
10.20688263 11.12136178 4.57837796
0.00022076 -0.00072204 0.00003693
0.02193822 -0.00507200 -0.00361662
19.24322843 -10.62937000 -9.04974062
0.00035723 0.00139068 0.00032244
0.00241575 -0.00647019 -0.01972843
20.60194744 -12.95491345 -10.31219391
0.00015654 -0.00057596 0.00020300
-0.01446185 0.03616307 -0.01282928
19.28368953 -4.97097445 -1.80590276
0.00083715 -0.00030767 -0.00069466
0.00162685 -0.00965637 0.01004400
18.30314884 -7.29158144 -0.21083703
0.00025136 0.00059124 -0.00010471
-0.00190926 0.00022657 -0.00070062
14.66612549 8.85821576 9.27981328
-0.00069766 -0.00089723 -0.00001881
-0.01257476 0.01503808 -0.00187638
16.59084438 7.94767494 11.23481896
-0.00011908 0.00035300 -0.00002970
0.00264147 0.00362765 0.01232688
2.88206479 -16.11259133 17.41498244
-0.00011230 -0.00045424 -0.00081503
-0.01168573 0.02613399 -0.00519035
3.24635539 -12.89214884 17.03906752
-0.00000760 -0.00058672 -0.00057815
-0.00467308 -0.02441864 0.00601990
-4.58424500 -4.19751194 -13.69272546
-0.00060048 0.00083248 -0.00001067
0.00079972 0.00683553 -0.00122530
-2.17801171 -2.38318707 -13.38541676
-0.00057346 -0.00059154 -0.00021102
0.01070250 -0.00231557 0.00231305
16.18041992 -7.45448364 -14.77123391
0.00068907 -0.00058765 0.00010579
0.00571949 0.00739192 0.01272367
17.25819837 -7.29312127 -11.88544457
-0.00022437 0.00083144 0.00007125
-0.00005962 -0.00124221 0.00141985
9.15138108 -4.21362778 5.62550080
-0.00038422 0.00010685 0.00074789
-0.01432886 -0.00114707 -0.01237115
12.13197161 -4.01316874 5.66575659
-0.00083710 0.00110921 -0.00077693
-0.03463543 -0.01412699 0.01903940
-20.99299703 -0.35451448 24.87700592
0.00016734 0.00012164 0.00105293
0.01349552 0.03575051 0.00895456
-20.15918763 2.67538603 25.15788638
-0.00079443 0.00055535 -0.00014213
-0.01570942 0.00554976 0.00395329
24.85218117 -2.33359081 -6.93693274
0.00092914 0.00036061 -0.00007115
-0.00314633 0.01008508 -0.01227141
23.98798033 -0.60299700 -9.20399223
-0.00013480 0.00012935 0.00050756
0.00266445 0.00146760 -0.02450551
12.36751365 -9.88809095 -9.43207871
-0.00047642 0.00124355 0.00016788
-0.01480634 0.00462496 -0.02092683
12.63188057 -8.54533656 -12.04025480
0.00014381 -0.00062631 0.00033705
-0.00959723 -0.01202288 0.00456764
-8.84746496 -9.41829723 18.34439527
0.00120326 -0.00107644 -0.00036707
-0.00329117 -0.00215180 0.00114847
-11.56875560 -9.27364184 17.01452076
-0.00003184 0.00045935 0.00088197
0.04214903 -0.01644179 0.01011259
8.65884896 0.29148151 -29.87376431
0.00036879 0.00053060 0.00079545
-0.00531910 0.00970319 -0.00653190
5.58698418 0.21271371 -29.30919497
-0.00003831 -0.00096947 -0.00044521
0.02640012 0.00166091 0.00082385
12.60501459 19.61250049 12.44545590
0.00011616 -0.00053749 0.00024280
-0.00283262 0.01653710 0.01162325
13.10294794 17.69401083 10.48326243
-0.00133385 0.00047971 0.00038058
-0.00645947 -0.00674673 0.02508368
27.79935712 7.68739693 -11.58020443
-0.00043250 -0.00018801 0.00012465
0.00930454 -0.00024617 -0.00029937
25.79830260 7.23234335 -9.38589476
0.00068776 0.00060670 0.00039341
0.01229341 0.00916664 0.00912021
-6.96390519 4.51125518 6.62910444
0.00024669 -0.00013176 -0.00014183
-0.00266877 -0.00018012 -0.00548377
-8.81714331 8.66004085 3.87833181
0.00018161 -0.00015062 -0.00001051
-0.00362090 -0.00270274 -0.00189415
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08030417
0.32413763
431.89713910
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.782 s
total exchange = -52.3732111589 (a.u.)
total exchange computation time: 3.1578071117 s
-153.9460332583
-931.40281581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3729594081 (a.u.)
total exchange computation time: 3.1617040634 s
-153.9490272204
Anderson extrapolation: theta=1.3522262787 (1.3522262787)
-931.40305682
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3725515667 (a.u.)
total exchange computation time: 3.1591281891 s
-153.9535974153
Anderson extrapolation: theta=0.0535998266 (0.0535998266)
-931.40320200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3724750429 (a.u.)
total exchange computation time: 3.1600639820 s
-153.9543122430
Anderson extrapolation: theta=2.0406012007 (2.0000000000)
-931.40320797
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3723077612 (a.u.)
total exchange computation time: 3.1599509716 s
-153.9558214267
Anderson extrapolation: theta=0.2518461142 (0.2518461142)
-931.40321480
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3722661559 (a.u.)
total exchange computation time: 3.1597800255 s
-153.9561598389
Anderson extrapolation: theta=1.7323398790 (1.7323398790)
-931.40321625
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3722143695 (a.u.)
total exchange computation time: 3.1611847878 s
-153.9565452083
Anderson extrapolation: theta=0.3047766532 (0.3047766532)
-931.40321793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3722184723 (a.u.)
total exchange computation time: 3.1604189873 s
-153.9564737074
Anderson extrapolation: theta=1.1839672909 (1.1839672909)
-931.40321835
30.609279 65.944139 -251.150960
544.846956 1080.952063 -416.513850
575.456235 1146.896202 -667.664810
1446.477472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1636560303
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3722373086 (a.u.)
total exchange computation time: 3.1630239487 s
678.85606422
-1083.69074996
89.78623387
-389.16179747
-174.82073199
78.23585498
551.60419304
0.00000000
-931.40321863
3.46889717 -31.08154902 -3.84231744
-0.00021046 0.00044865 -0.00000607
0.01832455 -0.01142982 -0.03870083
-11.21344415 2.09565943 -9.39664485
-0.00010687 -0.00023663 -0.00023575
-0.03117169 -0.02167484 -0.00592320
-36.81608281 2.05322332 4.02522066
0.00035735 0.00015969 0.00013309
0.00185591 0.01644517 -0.01613822
-7.75240408 -3.68221823 2.82758612
-0.00015623 -0.00022592 -0.00029110
0.00494449 -0.01395118 0.00589566
2.41994851 0.01252645 9.63885612
0.00024488 -0.00000380 -0.00011554
0.03357300 -0.04686815 -0.01221054
-31.34572629 1.39489797 3.50599425
-0.00012942 -0.00006778 0.00009837
0.04745301 -0.03450752 0.00539109
16.57494254 13.21951535 -17.65606057
0.00019471 0.00009661 0.00004027
0.00852592 -0.00092605 0.00084643
-3.39827517 4.84371391 3.87362309
-0.00015551 -0.00009890 -0.00049169
0.02142767 -0.00738709 0.04751144
4.83866512 17.34084025 -6.72249321
0.00009273 -0.00006036 -0.00036731
0.00129758 -0.01680887 -0.04858485
8.33539216 7.57089360 -21.31481189
0.00003557 0.00032845 -0.00024798
-0.03766596 -0.00784404 -0.02887119
20.12264133 18.86654276 -5.31085728
0.00047696 0.00024424 0.00010254
-0.02008226 -0.03853756 0.00181002
1.99788311 14.60976861 -21.38402668
-0.00015543 -0.00018928 0.00008331
-0.01418151 -0.00149230 0.00264284
10.58810707 -5.51184736 0.02077132
0.00024254 0.00009103 0.00001079
0.02800890 0.01027454 0.01750353
-16.44624028 -5.61711013 4.74090384
-0.00002062 -0.00015816 -0.00008497
0.02430749 -0.00210444 0.01673354
-14.20094049 -1.45840345 20.73328554
-0.00002368 0.00029134 -0.00023661
0.00920587 -0.01699453 0.00746304
0.53056982 3.66356409 -4.84836285
-0.00044091 0.00004511 -0.00003870
-0.00014061 -0.02246568 0.02629476
20.67067734 -9.58249794 -4.36746954
-0.00047514 -0.00000521 -0.00040560
0.03667418 0.02893314 -0.04717581
2.74505468 -10.86438878 6.75478041
-0.00001102 -0.00000761 0.00013308
-0.05458694 0.01999007 0.00867385
-1.92660128 -1.82533760 -19.33235115
-0.00030869 -0.00019444 0.00005749
-0.02460517 -0.00868829 0.01129541
-0.64872642 5.36135749 -11.33091762
0.00004480 0.00044581 -0.00021163
0.03314576 0.00959406 -0.00606017
-4.86745922 15.52211544 13.90861934
0.00011011 0.00023890 0.00069155
-0.00023772 0.00401446 -0.00291898
-4.97892911 3.21518984 -8.11974950
0.00000920 0.00022181 -0.00018448
0.00452367 0.00829310 -0.00592665
-8.48627194 0.00732659 -4.24532698
0.00032743 -0.00012784 0.00028183
-0.01313529 0.01055018 0.01808311
3.06179467 27.67156720 5.60994271
0.00001682 -0.00014092 -0.00020473
-0.02476809 0.01285372 0.01545085
8.59643386 -9.61111127 -2.09111505
-0.00024722 0.00001650 -0.00000581
-0.04445510 -0.01551211 0.00148778
-6.20661844 1.29813419 10.06483952
0.00022764 -0.00033533 0.00001058
-0.00438799 -0.01620108 -0.02988604
19.87489999 9.55395916 5.84622927
0.00018902 0.00004146 -0.00022081
-0.05406977 -0.01416530 -0.02597129
-3.40248187 0.53269026 -24.28688215
-0.00013119 -0.00015552 -0.00009573
0.04458334 0.00862065 0.05742023
-13.67900199 8.51074590 9.37911061
-0.00014032 0.00009078 -0.00017243
-0.00203176 -0.01952694 0.02148907
-13.62212029 5.68127647 -3.97554601
0.00027913 -0.00013513 -0.00013982
0.00995131 -0.03891042 -0.01208758
-3.77743080 -15.06748264 21.31756339
0.00003225 0.00001870 0.00011936
0.00416497 0.00281014 -0.00879058
-6.42246793 8.64632389 -6.35329763
-0.00025065 0.00007369 0.00030065
-0.01125468 0.01311587 0.00112283
-19.72107124 30.53459871 1.37971813
0.00013439 0.00037744 0.00019868
0.03514361 -0.00505010 -0.02120616
10.21009839 3.78230950 8.06368506
-0.00019091 0.00019788 -0.00012264
0.02977085 0.05433775 0.05022867
7.29984381 16.52715219 -11.64180349
-0.00020364 0.00008629 0.00024405
0.01647345 -0.01266252 0.00660456
14.08891224 4.30999928 -0.42947024
0.00010958 -0.00040671 0.00025765
0.02272982 -0.05369229 0.00303837
-5.90469685 11.86189268 -1.31033718
-0.00026966 -0.00008580 -0.00000952
0.00335637 0.02445869 -0.01186517
8.44156796 11.14235482 4.93253386
0.00012817 -0.00067091 0.00009998
-0.03228338 0.02347304 0.00745571
19.90694107 -11.18949237 -10.70756611
0.00011960 -0.00007658 -0.00031204
0.01059678 -0.03376424 0.03366995
19.28344683 -5.72250560 -0.10044832
0.00004869 0.00011518 0.00025855
-0.00052381 0.00263928 -0.01785963
15.81701736 7.54647779 9.65974290
-0.00024888 -0.00003777 0.00007819
0.00641407 -0.01697398 -0.00837391
3.72815270 -14.63361819 16.60242606
-0.00014728 0.00003130 0.00006841
0.01572165 -0.00583358 -0.00477391
-3.80900321 -2.47696332 -14.15400599
-0.00012827 0.00033337 -0.00040308
-0.00133044 0.01697574 -0.00584652
16.27275720 -6.39742134 -13.14940455
-0.00007438 -0.00002720 0.00003906
-0.01517136 -0.03034006 -0.03060292
10.57347270 -4.56986010 6.67856911
0.00008298 -0.00020644 0.00042185
0.05195970 0.01670575 -0.01026072
-19.64193120 0.95253769 25.25490038
-0.00011304 0.00004614 0.00022165
-0.00039631 -0.03700673 -0.00598951
23.96136545 -0.73965170 -7.40589029
-0.00016197 0.00001091 -0.00002413
0.01050025 -0.01241459 0.02848499
11.53619132 -9.74175939 -11.13475309
0.00013627 -0.00000029 0.00023474
0.02174127 0.00543577 0.02287524
-9.76719221 -9.89496046 16.83688100
-0.00008352 0.00019403 0.00026178
-0.03556698 0.01428642 -0.01857869
7.31954005 -0.06871073 -28.65699249
-0.00006789 -0.00041967 -0.00008904
-0.01809789 -0.00424848 0.00830621
12.60575617 17.82163701 12.30064894
0.00009964 0.00023113 -0.00005912
0.00899629 -0.00873192 -0.02853944
26.01958701 7.59978073 -11.16370962
0.00011869 0.00026561 -0.00003578
-0.02244877 -0.00335734 0.00493140
4.25145884 -29.76491602 -4.90067586
0.00096065 0.00000295 -0.00048452
-0.00723233 -0.00245123 -0.00034707
3.19261370 -30.39333928 -2.21719650
-0.00065667 0.00022370 0.00019399
-0.00943079 0.01276681 0.03781432
-9.62900532 2.69503240 -8.93960915
0.00002933 -0.00079234 0.00010449
0.03735375 0.01510575 0.01797167
-11.60761852 2.85182919 -11.02887021
0.00022816 -0.00000300 0.00077447
-0.00455522 0.00068126 -0.01068195
-36.86224707 3.58799471 2.95216432
-0.00037373 0.00055587 -0.00003633
0.00207261 -0.01401235 0.01544170
-38.59232940 1.57420456 4.11716063
0.00168606 0.00031318 0.00016543
-0.00342939 -0.00356727 -0.00200860
-9.09280982 -4.76676979 2.16828249
0.00007671 -0.00055366 0.00035151
-0.01643392 0.00800233 -0.01380270
-6.38314877 -4.88878526 2.62879704
0.00013295 -0.00021532 0.00033290
0.00624470 0.00773228 0.00690426
3.44242332 -1.26574183 8.62639069
0.00002202 0.00015882 -0.00056019
-0.02123593 0.02901341 0.02529342
1.49184767 0.82609943 8.34830290
-0.00075406 0.00023534 -0.00009446
-0.01169519 0.01685553 -0.01491952
-30.56359637 -0.36204046 3.52009717
0.00101883 -0.00019229 -0.00103895
-0.01428213 0.02824126 -0.00619861
-33.05989491 1.13202373 3.92111261
-0.00017324 -0.00014203 0.00086979
-0.02900931 0.00051615 0.00205971
15.28870683 12.17991781 -18.53396965
0.00084670 0.00079129 0.00132020
0.00911468 0.00375835 0.01076844
18.00875093 12.00686512 -17.39960292
-0.00075818 -0.00076837 -0.00077442
-0.01555169 0.00986910 -0.00576309
-2.35028299 6.08233759 4.83838460
0.00012634 -0.00113950 -0.00056231
-0.02025669 -0.01457330 -0.01402314
-3.52964549 5.59917994 2.27820173
0.00052162 -0.00041593 -0.00073036
-0.00327173 0.01510529 -0.03256641
5.99363466 17.51112781 -8.25270406
-0.00081986 0.00073594 0.00069731
-0.01904721 -0.01242673 0.01541785
5.64449280 18.35127180 -5.53634918
0.00059892 -0.00078668 0.00016614
0.02468481 0.02427846 0.03122450
8.90608115 6.48984173 -22.70000873
-0.00054233 0.00055590 -0.00025823
0.00669365 0.00511222 0.00482023
9.52747740 7.93135580 -20.03887139
-0.00004174 0.00118703 0.00007719
0.02586425 -0.00022938 0.01313466
19.52563387 20.30112811 -4.41967396
-0.00031092 -0.00091918 -0.00021517
-0.00251007 0.02270226 0.01403259
21.38643424 19.44487522 -6.42609679
0.00114011 -0.00058060 -0.00003740
0.01713603 0.01589914 -0.01097417
1.69748170 13.13936218 -20.32589498
0.00068279 -0.00003213 0.00119978
0.00736710 0.00217015 -0.00241333
0.26706301 15.12406784 -21.86352942
-0.00046984 0.00087726 -0.00017629
0.00645504 0.00337788 0.00434498
9.79919548 -7.02290763 -0.52260877
-0.00011308 -0.00042830 -0.00035085
-0.01096732 -0.02599635 -0.00869533
9.42254904 -4.18048628 -0.31204579
0.00034105 0.00077170 0.00006648
-0.00937153 0.01592606 -0.00334869
-17.05227255 -6.45354777 6.23645815
0.00044676 0.00049280 -0.00001303
-0.00305473 0.00042889 0.00414390
-17.87201573 -5.32297403 3.72200919
0.00089370 -0.00015202 -0.00074672
-0.02168482 -0.00039177 -0.01890657
-14.18569515 -0.94288564 19.01246297
0.00014034 -0.00045421 0.00087577
-0.00353286 0.00871986 -0.02199340
-15.19574454 -0.26981628 21.61352934
-0.00019542 -0.00032762 0.00034474
-0.01132731 0.01356994 0.01334949
-0.25230261 2.80934826 -3.34150814
-0.00027924 -0.00048641 -0.00053042
0.00716050 0.01563732 -0.02710829
1.27725259 2.22177097 -5.75964042
0.00005322 -0.00020770 0.00111457
-0.00798907 0.00624076 0.00410651
20.27245012 -8.86557200 -6.07385819
-0.00011800 0.00044473 -0.00033513
-0.01158062 -0.01224053 0.02958457
22.54531909 -9.03915930 -4.47373299
-0.00021434 0.00034624 -0.00011843
-0.03143708 -0.01915069 0.01810025
4.40666539 -11.24160784 6.39566792
-0.00156576 -0.00023184 -0.00014973
0.04511639 -0.01648409 -0.00660866
2.43997353 -11.09958949 8.54225243
0.00068022 0.00071195 -0.00083854
0.00883993 -0.00328366 -0.00114104
-2.49512826 -3.40910470 -20.14948826
0.00126276 0.00047262 0.00094831
0.01060495 0.00882511 -0.00342374
-3.09244480 -1.77334398 -17.87377868
-0.00035453 -0.00050710 0.00034513
0.01913437 0.00523111 -0.00831825
1.23023439 5.63642348 -11.17786023
-0.00134708 -0.00038212 0.00050245
-0.02571167 0.00133200 -0.01148931
-1.03478686 4.61419173 -9.74613753
-0.00042574 0.00024302 0.00070037
-0.01592538 -0.01036233 0.01615308
-4.00170679 16.99802311 14.62496928
-0.00050658 -0.00082864 -0.00047076
-0.00637645 -0.00553709 0.00343889
-6.56820934 16.09020277 13.42158231
0.00039944 0.00007927 -0.00002905
0.00795261 0.00186689 0.01071130
-5.11972437 2.14820264 -6.69136526
0.00057188 0.00019929 -0.00020783
-0.00094647 -0.00806516 0.01458582
-5.20483421 2.10598205 -9.64530613
0.00028866 0.00088697 0.00003013
-0.00373584 0.01423371 0.01079754
-9.16476780 -1.65162529 -4.36520446
0.00027792 -0.00093100 -0.00008129
0.00111944 -0.01927501 -0.00631269
-9.60940694 0.66296468 -2.91594027
-0.00056081 -0.00017040 0.00095323
0.01569988 0.00738683 -0.00883758
2.42428406 29.02857243 4.53510482
0.00104044 -0.00107793 0.00023274
0.01161993 -0.00459128 -0.00729434
1.96027139 27.93081467 7.08582193
-0.00052415 -0.00093495 -0.00009670
0.01610484 -0.00856670 -0.00803429
6.69728069 -9.51847266 -2.48953095
-0.00028754 0.00042666 0.00163778
0.04354480 -0.00896261 0.01092077
8.89540923 -11.24209550 -1.18909336
-0.00072544 -0.00082745 -0.00076197
-0.00965649 0.01719041 -0.01044630
-5.15471649 -0.11967774 9.16892535
-0.00064179 0.00076293 -0.00074492
-0.02929257 0.00868074 0.00908245
-8.06340150 1.15660621 9.93079498
0.00007641 0.00032957 -0.00004531
0.02408261 -0.00918451 -0.00128221
19.00286846 9.70838866 7.41495343
0.00032865 -0.00026215 -0.00104280
0.00091262 -0.00375409 0.01880038
21.55158484 9.92819382 6.01525494
0.00041605 -0.00033800 0.00040525
0.06193217 0.01968220 0.01367984
-3.39271381 0.59362785 -22.34717181
-0.00067726 -0.00037427 0.00081750
0.00595649 -0.00691480 -0.04390512
-5.08894789 0.28700650 -24.68200017
0.00093161 -0.00000138 -0.00016185
-0.05227602 -0.00060340 -0.01259021
-12.75918149 9.61515417 10.51449794
0.00035363 0.00035051 -0.00082657
0.00398502 0.00316721 -0.00678603
-13.90276902 9.43132621 7.83628672
-0.00039179 -0.00028359 0.00004842
0.00289049 0.01394356 -0.01942042
-13.45931754 3.96797998 -4.85488232
0.00049561 -0.00030184 0.00001357
-0.01170528 0.04633634 0.01807579
-15.19914088 6.50751214 -4.46310395
-0.00009392 -0.00072190 0.00111941
0.00148892 -0.00819830 -0.00795285
-5.39093574 -15.91160341 20.98171553
-0.00043387 -0.00008767 0.00014821
0.00019890 -0.00835918 0.00399562
-2.91163128 -15.06106089 19.70573387
0.00045689 0.00082088 -0.00007155
-0.00345237 0.00027116 0.00169973
-6.48531212 6.87628731 -6.60968363
0.00036192 0.00016313 -0.00015388
0.00326150 -0.02182224 -0.00468040
-8.16788759 9.13719864 -5.93677230
-0.00027753 -0.00015853 -0.00134587
0.01436086 0.00337715 -0.00189267
-21.04628255 30.72466601 0.17531543
-0.00044866 -0.00070018 -0.00004760
-0.01015622 -0.00049321 -0.00590603
-18.16751044 30.15278919 0.33595689
-0.00063422 -0.00061917 -0.00064329
-0.02586953 0.00871875 0.02660059
8.96737294 3.07794965 7.04883723
0.00022312 0.00023344 0.00044840
-0.03542678 -0.01710742 -0.03279082
9.58527597 5.56203641 8.57888366
-0.00055398 0.00068695 0.00020227
0.01096349 -0.03048918 -0.01413677
8.48820209 17.73002436 -12.36041437
-0.00062108 -0.00052367 -0.00014868
-0.00487798 0.00224164 -0.00222988
8.52020686 15.10403523 -11.48141004
-0.00052016 -0.00055428 -0.00010986
-0.01765561 0.00920326 0.00390416
13.16671577 5.69605313 0.10946509
0.00110388 -0.00008553 0.00079722
-0.02258295 0.03644943 0.01643872
14.03461265 3.12929221 1.10715756
-0.00145352 0.00056586 0.00052790
-0.00431307 0.02144045 -0.02573613
-4.75449715 12.21531587 -2.71175833
0.00017755 0.00205109 -0.00098448
-0.00248384 -0.00186429 0.00190734
-5.39281438 10.16057214 -0.92245095
-0.00061981 0.00008129 0.00013202
0.00204104 -0.01206310 0.00739695
7.88517722 12.89433020 4.65741302
0.00014198 0.00069114 -0.00054179
0.00597835 -0.01200506 -0.00003904
10.21086622 11.11037572 4.57882116
0.00030847 -0.00074247 0.00002266
0.02099841 -0.00492613 -0.00337253
19.24866087 -10.60870811 -9.04550851
0.00037143 0.00135889 0.00023148
0.00453646 -0.00909125 -0.02480034
20.60385240 -12.96244472 -10.30954197
0.00009542 -0.00042315 0.00015013
-0.01545974 0.03864072 -0.01305338
19.29629668 -4.97588546 -1.81601487
0.00084371 -0.00034965 -0.00064511
0.00158280 -0.01089160 0.01421183
18.30686079 -7.28270586 -0.21242921
0.00024030 0.00058621 -0.00010715
-0.00350729 -0.00269052 -0.00049416
14.65527528 8.84521811 9.27947369
-0.00075217 -0.00083200 -0.00002727
-0.01411128 0.01689187 -0.00226747
16.58913909 7.95308108 11.23475114
-0.00010900 0.00036815 0.00001933
0.00229443 0.00378965 0.01167448
2.88002214 -16.11860410 17.40259795
-0.00016098 -0.00034685 -0.00083513
-0.01214048 0.02643486 -0.00464726
3.24609826 -12.90169785 17.03057975
-0.00003041 -0.00067620 -0.00055028
-0.00649668 -0.01938633 0.00762105
-4.59322770 -4.18481526 -13.69292303
-0.00059787 0.00085907 -0.00001638
0.00047662 0.00618190 -0.00157218
-2.18628562 -2.39213110 -13.38851116
-0.00052421 -0.00059999 -0.00019903
0.01340256 -0.00182315 0.00355724
16.19093118 -7.46307194 -14.76925713
0.00071188 -0.00055563 0.00015938
0.00544981 0.00828535 0.01350764
17.25483101 -7.28068773 -11.88433237
-0.00022077 0.00082262 0.00008125
0.00182056 -0.00307610 0.00347615
9.14517871 -4.21206016 5.63634010
-0.00044037 0.00010081 0.00070075
-0.01315619 -0.00181140 -0.01070405
12.11835371 -3.99696356 5.65468601
-0.00097792 0.00104945 -0.00069603
-0.03429587 -0.01512496 0.02056482
-20.99007341 -0.35159435 24.89307431
0.00021904 0.00026440 0.00108743
0.01181071 0.03413144 0.00793190
-20.17158552 2.68388633 25.15587553
-0.00085436 0.00056629 -0.00012496
-0.01362275 -0.00019603 0.00445104
24.86602189 -2.32787260 -6.93837601
0.00091438 0.00040327 -0.00012168
-0.00408215 0.01079440 -0.01246359
23.98604004 -0.60101173 -9.19712968
-0.00012376 0.00013611 0.00039940
0.00273628 0.00183958 -0.02844096
12.35991363 -9.86929594 -9.43020174
-0.00053497 0.00126043 0.00008771
-0.01385408 0.00363531 -0.01831963
12.63374357 -8.55509969 -12.03505908
0.00010818 -0.00067079 0.00035136
-0.00783981 -0.00974872 0.00243826
-8.82951697 -9.43450978 18.33892443
0.00119020 -0.00108387 -0.00035884
-0.00309965 -0.00148429 0.00288171
-11.56794168 -9.26725543 17.02806022
0.00014113 0.00039212 0.00092387
0.04252490 -0.01646715 0.01039618
8.66421775 0.29973783 -29.86203274
0.00034713 0.00057007 0.00076692
-0.00528035 0.00962045 -0.00743496
5.58721849 0.19822255 -29.31584783
0.00006994 -0.00096157 -0.00044218
0.02658721 0.00220548 0.00065849
12.60667014 19.60494495 12.44945408
0.00010451 -0.00045773 0.00029195
-0.00286645 0.02250224 0.01243519
13.08274231 17.70099973 10.48973983
-0.00135727 0.00045078 0.00047259
-0.00500875 -0.00741678 0.01995415
27.79315478 7.68456930 -11.57834387
-0.00038692 -0.00018831 0.00012127
0.01300457 0.00009780 -0.00135440
25.80899566 7.24172481 -9.37971417
0.00073725 0.00064451 0.00042579
0.01193171 0.00933787 0.00673236
-6.96021205 4.50927826 6.62696220
0.00024570 -0.00013180 -0.00014380
-0.00283746 -0.00005460 -0.00550124
-8.81442549 8.65777683 3.87817086
0.00018078 -0.00015125 -0.00001094
-0.00352051 -0.00275233 -0.00179988
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08028687
0.32293176
430.29037470
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3840721032 (a.u.)
total exchange computation time: 3.1689729691 s
-153.9862500368
-931.40102613
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3837124898 (a.u.)
total exchange computation time: 3.1681699753 s
-153.9902261140
Anderson extrapolation: theta=1.3608919127 (1.3608919127)
-931.40127830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3831658223 (a.u.)
total exchange computation time: 3.1677618027 s
-153.9960970060
Anderson extrapolation: theta=0.0563779429 (0.0563779429)
-931.40143213
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3830898694 (a.u.)
total exchange computation time: 3.1668028831 s
-153.9968454453
Anderson extrapolation: theta=2.0948832369 (2.0000000000)
-931.40143892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3829300157 (a.u.)
total exchange computation time: 3.1712729931 s
-153.9983885540
Anderson extrapolation: theta=0.2791906588 (0.2791906588)
-931.40144693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3828915221 (a.u.)
total exchange computation time: 3.1665849686 s
-153.9987439960
Anderson extrapolation: theta=1.5167876752 (1.5167876752)
-931.40144872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3828550751 (a.u.)
total exchange computation time: 3.1669638157 s
-153.9990705413
Anderson extrapolation: theta=0.3348576102 (0.3348576102)
-931.40145059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3828637235 (a.u.)
total exchange computation time: 3.1664078236 s
-153.9989815463
Anderson extrapolation: theta=1.0620991720 (1.0620991720)
-931.40145112
30.660480 65.951784 -251.087674
544.810273 1080.982954 -416.498736
575.470754 1146.934738 -667.586410
1446.477617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3828870734 (a.u.)
total exchange computation time: 3.1677579880 s
679.03008904
-1084.05675100
89.76975679
-388.91257113
-174.84908810
78.43606258
551.60419304
0.00000000
-931.40145147
3.46581096 -31.07486337 -3.84255782
-0.00020093 0.00044331 -0.00002601
0.01874757 -0.00935014 -0.03884408
-11.21516737 2.09202640 -9.40020402
-0.00012223 -0.00024824 -0.00023734
-0.02856385 -0.02349727 -0.00023732
-36.81071545 2.05568204 4.02715478
0.00036037 0.00016936 0.00012414
0.00991239 0.02116186 -0.01866674
-7.75472841 -3.68566087 2.82324230
-0.00015319 -0.00023300 -0.00028790
0.00686314 -0.01357738 0.00657102
2.42375123 0.01228866 9.63707586
0.00026124 -0.00002706 -0.00012282
0.03005387 -0.04358006 -0.01608896
-31.34748450 1.39374812 3.50749058
-0.00010523 -0.00008597 0.00010115
0.04659826 -0.03620048 0.00541097
16.57789611 13.22096096 -17.65545318
0.00020037 0.00009726 0.00004168
0.01348441 0.00344470 0.00460452
-3.40052519 4.84220188 3.86643099
-0.00014502 -0.00010330 -0.00046788
0.01937201 -0.00969608 0.04506260
4.84006101 17.33986997 -6.72819034
0.00009266 -0.00006851 -0.00039032
-0.00156939 -0.01486278 -0.04088945
8.33578047 7.57579002 -21.31864300
0.00001639 0.00032499 -0.00026177
-0.03693761 -0.00559669 -0.02472446
20.12971832 18.87005772 -5.30931213
0.00046765 0.00022299 0.00010225
-0.01613642 -0.04411558 -0.00295918
1.99549692 14.60692369 -21.38276687
-0.00016333 -0.00019007 0.00008472
-0.01653923 -0.00159900 0.00286680
10.59185317 -5.51044222 0.02100070
0.00025567 0.00009566 0.00001916
0.02304247 0.00772928 0.01505018
-16.44645581 -5.61949059 4.73969387
-0.00000707 -0.00015893 -0.00007662
0.02837244 -0.00088442 0.01571278
-14.20126017 -1.45409896 20.72976523
-0.00001893 0.00028176 -0.00023003
0.00924989 -0.02025700 0.01811021
0.52395563 3.66415404 -4.84884186
-0.00044086 0.00003362 -0.00002534
0.00032929 -0.02219056 0.02565911
20.66369175 -9.58246444 -4.37373546
-0.00045599 0.00000981 -0.00042978
0.03779208 0.02944536 -0.04685632
2.74467881 -10.86442576 6.75681002
-0.00004181 0.00000372 0.00013614
-0.06512941 0.02403326 0.00322396
-1.93132652 -1.82828766 -19.33144516
-0.00032079 -0.00019687 0.00006469
-0.02243903 -0.00076174 0.01667092
-0.64792653 5.36808165 -11.33411544
0.00005927 0.00044940 -0.00021275
0.02312649 0.00437690 0.00170437
-4.86580841 15.52571438 13.91898131
0.00010883 0.00023868 0.00068895
-0.00475419 -0.00485162 -0.00717571
-4.97877373 3.21854899 -8.12253957
0.00001161 0.00022669 -0.00018692
0.00488233 0.01067183 -0.00354039
-8.48141112 0.00544965 -4.24102974
0.00031904 -0.00012342 0.00029204
-0.01948964 0.00665872 0.02160083
3.06195141 27.66950305 5.60693142
0.00000471 -0.00013618 -0.00019500
-0.02232420 0.00554897 0.02236228
8.59255407 -9.61092362 -2.09119652
-0.00026978 0.00000808 -0.00000464
-0.04328482 -0.01723058 0.00306500
-6.20322078 1.29304181 10.06488288
0.00022468 -0.00034290 -0.00000445
-0.00713252 -0.01327141 -0.02853043
19.87752672 9.55452638 5.84281692
0.00016296 0.00003425 -0.00023556
-0.04724912 -0.01385945 -0.03139890
-3.40427768 0.53039072 -24.28809656
-0.00010599 -0.00015074 -0.00006453
0.05339686 0.00995172 0.06388389
-13.68111458 8.51203224 9.37660707
-0.00014116 0.00008050 -0.00016089
-0.00123240 -0.02044612 0.02336328
-13.61789493 5.67909942 -3.97768994
0.00028468 -0.00015530 -0.00014582
0.01161856 -0.03951365 -0.01125318
-3.77693097 -15.06719133 21.31931988
0.00003411 0.00001984 0.00011426
0.00305461 0.00163566 -0.01105886
-6.42627102 8.64747982 -6.34878350
-0.00025573 0.00008023 0.00030100
-0.00852876 0.01232206 0.00023071
-19.71891981 30.54024087 1.38261654
0.00015158 0.00037483 0.00018686
0.03168496 -0.00510070 -0.02477723
10.20734955 3.78548733 8.06203925
-0.00017485 0.00022689 -0.00009591
0.03268084 0.05848297 0.05369368
7.29685277 16.52839766 -11.63811728
-0.00019561 0.00007880 0.00024768
0.01476441 -0.01646868 0.00751895
14.09064362 4.30369152 -0.42559380
0.00012089 -0.00043385 0.00025908
0.02125674 -0.05182771 0.00251645
-5.90872882 11.86070009 -1.31052571
-0.00026691 -0.00007196 -0.00001741
0.00733109 0.02935240 -0.01881992
8.44336597 11.13238174 4.93406233
0.00011145 -0.00065667 0.00010331
-0.03273041 0.03187668 0.00550556
19.90877602 -11.19077138 -10.71211687
0.00012474 -0.00009373 -0.00029363
0.00936983 -0.03289165 0.03794310
19.28417522 -5.72076779 -0.09663900
0.00004894 0.00011747 0.00024830
0.00149042 0.00628272 -0.02198354
15.81330897 7.54584573 9.66088343
-0.00024516 -0.00004682 0.00007419
0.00801764 -0.01822749 -0.00718527
3.72600417 -14.63317118 16.60343381
-0.00013859 0.00002683 0.00006543
0.01807664 -0.01153377 -0.00681345
-3.81093246 -2.47189725 -14.16007480
-0.00012947 0.00034190 -0.00040640
-0.00330855 0.01620103 -0.00703297
16.27158304 -6.39794632 -13.14893676
-0.00008251 -0.00004248 0.00002274
-0.01645524 -0.02908078 -0.03284696
10.57491782 -4.57289233 6.68485733
0.00010900 -0.00019747 0.00041579
0.04923719 0.01820769 -0.01332360
-19.64362840 0.95308700 25.25820198
-0.00011319 0.00002911 0.00021864
-0.00016901 -0.02921613 -0.00571501
23.95897636 -0.73953599 -7.40614233
-0.00015635 0.00000427 -0.00000869
0.01135188 -0.01338397 0.03154491
11.53831922 -9.74174280 -11.13114374
0.00014658 0.00000209 0.00024627
0.01836313 0.00380599 0.02195023
-9.76858215 -9.89199487 16.84073598
-0.00010169 0.00020116 0.00025178
-0.03509953 0.01342888 -0.02027616
7.31845189 -0.07502216 -28.65829606
-0.00007705 -0.00042193 -0.00008459
-0.01753148 -0.00454356 0.00898191
12.60728552 17.82507022 12.29965209
0.00010387 0.00022542 -0.00007247
0.00745740 -0.01345540 -0.02338153
26.02128070 7.60375191 -11.16422728
0.00010632 0.00026374 -0.00003237
-0.02565326 -0.00389732 0.00832658
4.26564696 -29.76494682 -4.90795429
0.00092756 -0.00001083 -0.00048100
-0.00896496 -0.00429478 0.00206893
3.18247468 -30.38959253 -2.21312784
-0.00069386 0.00027512 0.00034412
-0.00877275 0.01240239 0.03567464
-9.62742081 2.68361020 -8.93749112
0.00017958 -0.00073168 0.00017752
0.03619528 0.01458691 0.01777777
-11.60433571 2.85180507 -11.01758055
0.00020669 0.00000481 0.00072037
-0.00595225 0.00314350 -0.01579968
-36.86778944 3.59590335 2.95209249
-0.00036365 0.00049463 0.00002967
0.00285862 -0.01596597 0.01686623
-38.56714362 1.57879294 4.11958049
0.00165359 0.00029305 0.00015921
-0.01246331 -0.00628520 -0.00103553
-9.09216279 -4.77482943 2.17313217
0.00000783 -0.00052253 0.00029376
-0.01728174 0.00723660 -0.01446816
-6.38096319 -4.89177814 2.63400215
0.00015666 -0.00018227 0.00036095
0.00536150 0.00844422 0.00682705
3.44210290 -1.26247048 8.61876289
-0.00006423 0.00027676 -0.00045742
-0.02098322 0.02872026 0.02501537
1.48017843 0.83014597 8.34642887
-0.00079524 0.00029808 -0.00014679
-0.00846334 0.01385784 -0.01069842
-30.54875160 -0.36405935 3.50432292
0.00095579 -0.00007300 -0.00106308
-0.01657567 0.03014947 -0.00561226
-33.06338246 1.12990906 3.93422259
-0.00028572 -0.00014064 0.00087717
-0.02604919 0.00016567 0.00155433
15.30168665 12.19190235 -18.51383665
0.00086872 0.00079798 0.00135416
0.00166486 -0.00048620 0.00585284
17.99690174 11.99564192 -17.41139577
-0.00081635 -0.00072837 -0.00079579
-0.01292320 0.00971171 -0.00470017
-2.34900864 6.06479854 4.82952024
0.00004763 -0.00119357 -0.00061624
-0.01827280 -0.01189598 -0.01237370
-3.52192147 5.59340387 2.26624840
0.00050876 -0.00035484 -0.00086157
-0.00302420 0.01479665 -0.03166256
5.98075313 17.52178614 -8.24177203
-0.00088866 0.00068556 0.00074809
-0.01462990 -0.01223722 0.00944074
5.65423303 18.34021558 -5.53290031
0.00069679 -0.00069124 0.00029067
0.02322239 0.02243879 0.02973685
8.89815138 6.49833693 -22.70373443
-0.00051161 0.00057387 -0.00024107
0.00834153 0.00368260 0.00357789
9.52764382 7.94915426 -20.03731111
0.00005955 0.00118391 0.00012469
0.02371932 -0.00130035 0.01012076
19.52089318 20.28803611 -4.42247154
-0.00032394 -0.00081506 -0.00015293
-0.00386575 0.02826351 0.01643295
21.40406101 19.43665337 -6.42699404
0.00120453 -0.00051589 -0.00007691
0.01439632 0.01577830 -0.00836507
1.70794929 13.13894680 -20.30797218
0.00071091 -0.00001801 0.00118533
0.00640063 0.00474169 -0.00465967
0.26021329 15.13733022 -21.86604064
-0.00043701 0.00088596 -0.00015447
0.00961150 0.00088330 0.00633767
9.79716321 -7.03012873 -0.52813803
-0.00015283 -0.00052303 -0.00038266
-0.00848831 -0.02037521 -0.00687389
9.42737758 -4.16842281 -0.31115117
0.00030736 0.00083006 0.00005383
-0.00712028 0.01264467 -0.00284554
-17.04566469 -6.44614258 6.23638964
0.00043078 0.00049199 0.00000808
-0.00477123 -0.00082591 0.00619094
-17.85927477 -5.32526633 3.71022911
0.00080041 -0.00015356 -0.00082591
-0.02398015 -0.00036090 -0.01986081
-14.18369825 -0.94943152 19.02492556
0.00012554 -0.00041174 0.00076601
-0.00371214 0.01206549 -0.03173606
-15.19902288 -0.27431474 21.61910944
-0.00024135 -0.00027240 0.00039794
-0.01115777 0.01345978 0.01269351
-0.25627172 2.80253135 -3.35029512
-0.00025270 -0.00042216 -0.00063666
0.00582921 0.01581247 -0.02489619
1.27780609 2.21884663 -5.74279606
0.00002238 -0.00018315 0.00112760
-0.00710919 0.00577875 0.00227241
20.27032525 -8.85927621 -6.07797864
-0.00016556 0.00039463 -0.00021482
-0.01170121 -0.01228253 0.02931075
22.54114073 -9.03455248 -4.47495473
-0.00034404 0.00026730 -0.00004447
-0.03205375 -0.01949462 0.01809998
4.38456154 -11.24559060 6.39321947
-0.00135787 -0.00030511 -0.00018312
0.05664310 -0.01938094 -0.00973490
2.45044772 -11.08901089 8.52963935
0.00071212 0.00069635 -0.00082524
0.00677632 -0.00435289 0.00765224
-2.47586196 -3.40174492 -20.13536850
0.00129974 0.00049338 0.00092621
0.00749712 0.00133586 -0.00739287
-3.09717647 -1.78079019 -17.86885664
-0.00027488 -0.00048586 0.00030898
0.01985728 0.00516583 -0.00937511
1.20924029 5.63073255 -11.17067553
-0.00143447 -0.00037340 0.00045606
-0.01706544 0.00293405 -0.01122166
-1.04166103 4.61751952 -9.73513698
-0.00048809 0.00020789 0.00075056
-0.01459260 -0.00683634 0.00841573
-4.00950089 16.98542377 14.61801320
-0.00052177 -0.00083322 -0.00044814
-0.00105804 0.00329826 0.00763570
-6.56197405 16.09144897 13.42147483
0.00042994 0.00008714 0.00001423
0.00697968 0.00198565 0.01047372
-5.11117512 2.15094485 -6.69403576
0.00056811 0.00016595 -0.00014846
-0.00089998 -0.00825542 0.01447481
-5.20061879 2.11972271 -9.64452329
0.00027306 0.00094038 0.00006971
-0.00389833 0.01191032 0.00857482
-9.16056471 -1.66618091 -4.36661728
0.00028728 -0.00099629 -0.00010530
0.00346485 -0.01268389 -0.00543779
-9.61733805 0.66063500 -2.90191259
-0.00048874 -0.00014578 0.00090774
0.01957904 0.00466786 -0.01343056
2.44024670 29.01226281 4.53837236
0.00108039 -0.00108191 0.00019277
0.00793836 0.00264136 -0.01227000
1.95290259 27.91652796 7.08412528
-0.00045621 -0.00096918 -0.00013315
0.01715625 -0.00819078 -0.00980941
6.69430193 -9.51234743 -2.46462967
-0.00011294 0.00039089 0.00167965
0.04192258 -0.00854533 0.00957589
8.88423174 -11.25398053 -1.20084308
-0.00076365 -0.00075423 -0.00080491
-0.00904712 0.01865236 -0.01057086
-5.16524097 -0.10796785 9.15802983
-0.00075726 0.00079377 -0.00070944
-0.02722949 0.00641760 0.00828505
-8.06151746 1.16126838 9.93007607
0.00017558 0.00029200 -0.00005090
0.02446335 -0.00920930 -0.00145286
19.00782611 9.70434130 7.39988749
0.00032552 -0.00027634 -0.00095434
-0.00244483 -0.00318971 0.02450513
21.55972344 9.92372690 6.02175293
0.00066148 -0.00025952 0.00046030
0.05820675 0.01873469 0.01326780
-3.40269025 0.58780192 -22.33625469
-0.00065226 -0.00040248 0.00062991
0.00628133 -0.00689531 -0.04792329
-5.07657564 0.28696734 -24.68481376
0.00069972 -0.00000637 -0.00021787
-0.06123593 -0.00183808 -0.01482845
-12.75375494 9.62050889 10.50189143
0.00036998 0.00036312 -0.00085342
0.00401884 0.00300314 -0.00635583
-13.90855730 9.42749971 7.83641785
-0.00038077 -0.00022458 -0.00003552
0.00250539 0.01493783 -0.02166579
-13.45224205 3.96487232 -4.85412481
0.00044710 -0.00011238 0.00008739
-0.01204027 0.04640357 0.01805547
-15.20050402 6.49643238 -4.44655651
-0.00009069 -0.00075402 0.00108505
0.00008986 -0.00752370 -0.00886544
-5.39743766 -15.91317467 20.98406110
-0.00042665 -0.00011921 0.00016438
0.00333620 -0.00708013 0.00392217
-2.90488368 -15.04873943 19.70471269
0.00043871 0.00082132 -0.00005983
-0.00544785 -0.00005536 0.00403989
-6.47978331 6.87806557 -6.61213526
0.00037496 0.00007438 -0.00017294
0.00311856 -0.02162258 -0.00465144
-8.17161048 9.13492416 -5.95701831
-0.00022422 -0.00014368 -0.00135162
0.01173653 0.00389390 -0.00092260
-21.05332366 30.71414813 0.17442048
-0.00048475 -0.00070275 -0.00006518
-0.00750835 -0.00076200 -0.00270048
-18.17781642 30.14376879 0.32712274
-0.00073823 -0.00058290 -0.00053385
-0.02504594 0.00903798 0.02696848
8.96963415 3.08092698 7.05455843
0.00007134 0.00015966 0.00030909
-0.03887033 -0.01900719 -0.03540490
9.57730224 5.57140633 8.58148451
-0.00050752 0.00055824 0.00014320
0.01177783 -0.03251602 -0.01477761
8.47873644 17.72223801 -12.36271291
-0.00063584 -0.00050958 -0.00016034
-0.00234968 0.00465658 -0.00347744
8.51186346 15.09600300 -11.48293833
-0.00059368 -0.00051385 -0.00009405
-0.01833193 0.01058837 0.00383527
13.18258193 5.69588711 0.12192713
0.00101181 0.00006547 0.00086279
-0.02248439 0.03746465 0.01565674
14.01267776 3.13843717 1.11428747
-0.00146828 0.00064781 0.00042527
-0.00291473 0.01867208 -0.02450210
-4.75191002 12.24602511 -2.72646714
0.00015646 0.00203493 -0.00096019
-0.00784132 -0.00604482 0.00998260
-5.40204901 10.16142178 -0.92024404
-0.00060847 0.00003063 0.00015970
0.00351151 -0.01273580 0.00615388
7.88749008 12.90432938 4.64928504
0.00017155 0.00062502 -0.00053902
0.00849640 -0.02035922 0.00139352
10.21613673 11.09908775 4.57905767
0.00039056 -0.00076220 0.00000968
0.01918735 -0.00473199 -0.00297881
19.25437133 -10.58860340 -9.04279633
0.00039358 0.00131684 0.00012142
0.00630414 -0.01148912 -0.02907064
20.60480990 -12.96760786 -10.30769003
0.00003102 -0.00026204 0.00009672
-0.01606430 0.04022207 -0.01309058
19.30900083 -4.98146397 -1.82525599
0.00084998 -0.00039603 -0.00057966
0.00148506 -0.01181205 0.01782759
18.31035780 -7.27399517 -0.21405167
0.00022272 0.00056932 -0.00010875
-0.00509949 -0.00557487 -0.00028666
14.64356025 8.83325571 9.27899513
-0.00081180 -0.00076059 -0.00003693
-0.01507718 0.01806586 -0.00245947
16.58757441 7.95871949 11.23539880
-0.00010076 0.00038377 0.00006489
0.00174055 0.00385514 0.01062662
2.87723544 -16.12299679 17.38992865
-0.00021161 -0.00023889 -0.00085284
-0.01264279 0.02641328 -0.00402236
3.24544298 -12.91243496 17.02255905
-0.00006094 -0.00074375 -0.00051579
-0.00844610 -0.01367647 0.00926396
-4.60218119 -4.17173971 -13.69321695
-0.00059658 0.00088297 -0.00002353
0.00015595 0.00551713 -0.00192617
-2.19373812 -2.40118686 -13.39138756
-0.00046492 -0.00060656 -0.00018236
0.01562320 -0.00139102 0.00460096
16.20177644 -7.47115245 -14.76645253
0.00073353 -0.00052032 0.00021559
0.00514544 0.00899752 0.01400594
17.25157523 -7.26844271 -11.88300714
-0.00020966 0.00080655 0.00009948
0.00362001 -0.00479122 0.00544824
9.13817005 -4.21060354 5.64652338
-0.00049063 0.00009170 0.00066120
-0.01144893 -0.00264865 -0.00865790
12.10263395 -3.98168533 5.64487578
-0.00111588 0.00098613 -0.00060980
-0.03323613 -0.01586773 0.02164182
-20.98642595 -0.34658242 24.90962881
0.00026265 0.00039908 0.00111747
0.00953712 0.03179437 0.00677205
-20.18481830 2.69237463 25.15413746
-0.00090549 0.00055372 -0.00010567
-0.01140993 -0.00595470 0.00499487
24.87961243 -2.32149283 -6.94058313
0.00089613 0.00044819 -0.00017270
-0.00484902 0.01119569 -0.01251249
23.98426746 -0.59891371 -9.19201017
-0.00011247 0.00014430 0.00027721
0.00278983 0.00217117 -0.03137418
12.35146455 -9.85027814 -9.42944751
-0.00058911 0.00127328 0.00001935
-0.01264666 0.00265418 -0.01514354
12.63512609 -8.56546029 -12.02971392
0.00008032 -0.00070543 0.00035651
-0.00580158 -0.00720756 0.00008027
-8.81175894 -9.45081329 18.33363019
0.00117777 -0.00108886 -0.00034412
-0.00298727 -0.00095741 0.00432318
-11.56452158 -9.26187823 17.04223683
0.00031354 0.00032550 0.00096691
0.04186763 -0.01614567 0.01067341
8.66926293 0.30858376 -29.85075684
0.00032541 0.00060910 0.00073514
-0.00535391 0.00948420 -0.00811963
5.58908223 0.18386656 -29.32246034
0.00017763 -0.00095129 -0.00044020
0.02613087 0.00282609 0.00031154
12.60815002 19.59876849 12.45421436
0.00009276 -0.00035512 0.00034422
-0.00288817 0.02772959 0.01315356
13.06222971 17.70753408 10.49744014
-0.00137454 0.00041916 0.00054197
-0.00344475 -0.00806076 0.01400791
27.78774943 7.68174766 -11.57656632
-0.00032688 -0.00018726 0.00011367
0.01638767 0.00041796 -0.00236727
25.82041996 7.25167856 -9.37312098
0.00078510 0.00068296 0.00044825
0.01149485 0.00948637 0.00426146
-6.95653414 4.50730104 6.62479042
0.00024466 -0.00013180 -0.00014577
-0.00299505 0.00006137 -0.00552787
-8.81171994 8.65550323 3.87800365
0.00017997 -0.00015190 -0.00001135
-0.00348574 -0.00283905 -0.00174093
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07976123
0.32169024
428.63611202
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3954466607 (a.u.)
total exchange computation time: 3.0873210430 s
-154.0233972731
-931.39991602
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3948855016 (a.u.)
total exchange computation time: 3.0883460045 s
-154.0286184506
Anderson extrapolation: theta=1.3734121274 (1.3734121274)
-931.40017810
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3940043632 (a.u.)
total exchange computation time: 3.0894589424 s
-154.0364156397
Anderson extrapolation: theta=0.0628030326 (0.0628030326)
-931.40034119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3938613153 (a.u.)
total exchange computation time: 3.0887510777 s
-154.0374575237
Anderson extrapolation: theta=2.2211170567 (2.0000000000)
-931.40034933
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3935474834 (a.u.)
total exchange computation time: 3.0870981216 s
-154.0396514327
Anderson extrapolation: theta=0.3401896750 (0.3401896750)
-931.40035924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3934383734 (a.u.)
total exchange computation time: 3.0882599354 s
-154.0403357333
Anderson extrapolation: theta=1.1484952804 (1.1484952804)
-931.40036157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3933348289 (a.u.)
total exchange computation time: 3.0882480145 s
-154.0409037197
Anderson extrapolation: theta=0.4195036952 (0.4195036952)
-931.40036344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3933159955 (a.u.)
total exchange computation time: 3.0883481503 s
-154.0409218637
Anderson extrapolation: theta=0.8504586404 (0.8504586404)
-931.40036406
30.708193 65.969193 -251.029804
544.772104 1081.017982 -416.483691
575.480297 1146.987175 -667.513495
1446.489343
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0639534884
ExchangeOperator: pair fraction: ispin=0: 0.1623147647
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3933200668 (a.u.)
total exchange computation time: 3.0863819122 s
679.19433290
-1084.40482020
89.75423320
-388.67502358
-174.87576664
78.62780941
551.60419304
0.00000000
-931.40036440
3.46286938 -31.06824985 -3.84309786
-0.00019126 0.00043911 -0.00004564
0.01882727 -0.00695924 -0.03749151
-11.21711095 2.08821211 -9.40376502
-0.00013584 -0.00026065 -0.00023591
-0.02437230 -0.02474692 0.00580044
-36.80527162 2.05830401 4.02894489
0.00036760 0.00018133 0.00011400
0.01818299 0.02540892 -0.02076830
-7.75699981 -3.68920825 2.81894917
-0.00014925 -0.00023990 -0.00028438
0.00846496 -0.01325468 0.00711534
2.42778581 0.01171466 9.63517147
0.00027555 -0.00004837 -0.00013204
0.02557092 -0.03928846 -0.01975588
-31.34888321 1.39231900 3.50902866
-0.00008184 -0.00010486 0.00010400
0.04435584 -0.03727432 0.00568775
16.58095371 13.22243314 -17.65481027
0.00020867 0.00010033 0.00004507
0.01879830 0.00851167 0.00857304
-3.40262576 4.84061505 3.85958654
-0.00013574 -0.00010884 -0.00044583
0.01671097 -0.01186381 0.04072065
4.84144480 17.33878503 -6.73420292
0.00009117 -0.00007544 -0.00040880
-0.00420573 -0.01211555 -0.03097642
8.33588382 7.58064326 -21.32266487
-0.00000226 0.00032276 -0.00027321
-0.03557354 -0.00306363 -0.01977977
20.13667083 18.87323235 -5.30778981
0.00046044 0.00019915 0.00009951
-0.01191656 -0.04856573 -0.00767750
1.99298313 14.60406644 -21.38148495
-0.00017233 -0.00019090 0.00008626
-0.01843759 -0.00161583 0.00309755
10.59577703 -5.50897746 0.02134620
0.00026612 0.00009895 0.00002621
0.01760436 0.00504964 0.01235230
-16.44645246 -5.62187788 4.73860512
0.00000827 -0.00015903 -0.00006897
0.03128164 0.00046829 0.01403723
-14.20150850 -1.44995075 20.72638465
-0.00001429 0.00027070 -0.00021802
0.00880945 -0.02273413 0.02859460
0.51734398 3.66457280 -4.84912291
-0.00044052 0.00002241 -0.00001244
0.00100439 -0.02139863 0.02446765
20.65699772 -9.58220378 -4.38036287
-0.00043642 0.00002493 -0.00045358
0.03830400 0.02938509 -0.04569962
2.74380048 -10.86427733 6.75886449
-0.00007748 0.00001702 0.00013618
-0.07358301 0.02768576 -0.00305663
-1.93622488 -1.83124361 -19.33041056
-0.00033164 -0.00019504 0.00007459
-0.01976973 0.00785340 0.02184790
-0.64694823 5.37483957 -11.33730012
0.00006824 0.00045029 -0.00020995
0.01173940 -0.00091041 0.00919154
-4.86419428 15.52927589 13.92928791
0.00010516 0.00023371 0.00068415
-0.00952350 -0.01446480 -0.01151786
-4.97858067 3.22199048 -8.12535695
0.00001421 0.00023275 -0.00018789
0.00520884 0.01291577 -0.00026958
-8.47670066 0.00362408 -4.23656585
0.00030754 -0.00012109 0.00030387
-0.02522838 0.00236973 0.02442441
3.06193592 27.66748170 5.60409265
-0.00000602 -0.00013533 -0.00018177
-0.01939050 -0.00224499 0.02909776
8.58834035 -9.61086890 -2.09125434
-0.00029153 -0.00000114 -0.00000268
-0.04127491 -0.01861409 0.00456563
-6.19987813 1.28784704 10.06470613
0.00022037 -0.00034888 -0.00001867
-0.00960394 -0.00995515 -0.02679060
19.87978893 9.55498668 5.83916234
0.00014107 0.00002736 -0.00025290
-0.03790328 -0.01292982 -0.03601919
-3.40566156 0.52816796 -24.28881813
-0.00007694 -0.00014539 -0.00003049
0.05955197 0.01085480 0.06848595
-13.68323667 8.51316085 9.37428376
-0.00014161 0.00006989 -0.00014860
-0.00054567 -0.02080978 0.02446526
-13.61357995 5.67661753 -3.97992069
0.00029100 -0.00017549 -0.00015130
0.01298173 -0.03902591 -0.01005302
-3.77640758 -15.06688741 21.32099106
0.00003538 0.00002040 0.00010804
0.00189352 0.00052120 -0.01309816
-6.43013991 8.64873082 -6.34426759
-0.00025934 0.00008613 0.00030087
-0.00551377 0.01061511 -0.00075965
-19.71652395 30.54584368 1.38532380
0.00016674 0.00037223 0.00017329
0.02729511 -0.00502136 -0.02798365
10.20485283 3.78911633 8.06080766
-0.00015771 0.00025758 -0.00006785
0.03397902 0.06084040 0.05543684
7.29397564 16.52951607 -11.63437306
-0.00018854 0.00006946 0.00025177
0.01270360 -0.01984714 0.00839886
14.09253899 4.29698393 -0.42169794
0.00013117 -0.00045946 0.00026027
0.01870848 -0.04778364 0.00214011
-5.91270423 11.85973394 -1.31085943
-0.00026225 -0.00005574 -0.00002865
0.01080724 0.03372320 -0.02488747
8.44491147 11.12265458 4.93563327
0.00009472 -0.00063842 0.00010565
-0.03231316 0.03912092 0.00356494
19.91068325 -11.19230414 -10.71637491
0.00012924 -0.00011025 -0.00027327
0.00812697 -0.03138490 0.04121871
19.28491510 -5.71898150 -0.09299928
0.00005023 0.00012153 0.00023608
0.00350018 0.00948910 -0.02552415
15.80966243 7.54507304 9.66196853
-0.00024074 -0.00005631 0.00007083
0.00916921 -0.01866026 -0.00586772
3.72399510 -14.63281316 16.60438900
-0.00012863 0.00001939 0.00006138
0.02062342 -0.01741641 -0.00895085
-3.81288723 -2.46670619 -14.16619786
-0.00013153 0.00035005 -0.00041025
-0.00470416 0.01546329 -0.00794076
16.27028194 -6.39869565 -13.14872237
-0.00009126 -0.00005710 0.00000540
-0.01757273 -0.02778745 -0.03459451
10.57674279 -4.57578410 6.69104277
0.00013334 -0.00018775 0.00040819
0.04538387 0.01957513 -0.01621413
-19.64532689 0.95341091 25.26145949
-0.00011307 0.00001622 0.00021579
0.00061891 -0.02091435 -0.00535172
23.95667485 -0.73952354 -7.40615101
-0.00015034 -0.00000276 0.00000798
0.01202491 -0.01397110 0.03327788
11.54058879 -9.74169684 -11.12736504
0.00015504 0.00000356 0.00025722
0.01454014 0.00193335 0.02065388
-9.77024288 -9.88892568 16.84443453
-0.00011932 0.00020780 0.00024100
-0.03348039 0.01238446 -0.02164223
7.31722848 -0.08136864 -28.65953033
-0.00008572 -0.00042434 -0.00007980
-0.01617240 -0.00483003 0.00965354
12.60887241 17.82839963 12.29847487
0.00010729 0.00021754 -0.00008295
0.00584100 -0.01717560 -0.01736101
26.02277648 7.60769303 -11.16468071
0.00009244 0.00026162 -0.00002724
-0.02830874 -0.00437380 0.01161623
4.27928565 -29.76524084 -4.91510593
0.00088755 -0.00003173 -0.00046789
-0.01061845 -0.00593678 0.00435152
3.17179801 -30.38508569 -2.20687282
-0.00072778 0.00032389 0.00048280
-0.00783281 0.01147215 0.03221045
-9.62361802 2.67308198 -8.93428356
0.00032158 -0.00067434 0.00024860
0.03331814 0.01347998 0.01701498
-11.60141769 2.85197359 -11.00725920
0.00017978 0.00002266 0.00064578
-0.00722159 0.00559308 -0.02071033
-36.87315661 3.60283350 2.95305433
-0.00035038 0.00042661 0.00010063
0.00363910 -0.01732999 0.01786997
-38.54272167 1.58299612 4.12193689
0.00158377 0.00026159 0.00015700
-0.02171480 -0.00911753 -0.00004524
-9.09257489 -4.78244557 2.17709516
-0.00006371 -0.00049416 0.00023362
-0.01773860 0.00664780 -0.01496719
-6.37844902 -4.89425351 2.63962567
0.00017668 -0.00014644 0.00038857
0.00443698 0.00909530 0.00668907
3.44049650 -1.25743898 8.61266818
-0.00014822 0.00039195 -0.00035699
-0.02013367 0.02766577 0.02414403
1.46799051 0.83504181 8.34389918
-0.00082247 0.00034805 -0.00018108
-0.00486796 0.01060120 -0.00608642
-30.53492269 -0.36423050 3.48820471
0.00088408 0.00005249 -0.00108466
-0.01852871 0.03128050 -0.00495136
-33.06846646 1.12780454 3.94742783
-0.00038401 -0.00014037 0.00088187
-0.02206548 -0.00003547 0.00074593
15.31476850 12.20385709 -18.49334494
0.00085892 0.00078648 0.00136742
-0.00646365 -0.00514227 0.00064158
17.98426054 11.98501392 -17.42347667
-0.00086312 -0.00068953 -0.00081271
-0.00997191 0.00930472 -0.00358154
-2.34885417 6.04653043 4.81989755
-0.00002187 -0.00123564 -0.00066245
-0.01574729 -0.00869623 -0.01024696
-3.51438279 5.58853463 2.25235460
0.00049711 -0.00029637 -0.00098619
-0.00267834 0.01382638 -0.02933924
5.96697499 17.53169450 -8.23026141
-0.00093803 0.00063647 0.00077273
-0.00954134 -0.01179196 0.00262087
5.66539648 18.33053454 -5.52762899
0.00078682 -0.00060547 0.00040626
0.02084679 0.01954749 0.02684475
8.89073282 6.50705783 -22.70724086
-0.00047424 0.00058585 -0.00022926
0.00995044 0.00217967 0.00220536
9.52926390 7.96687301 -20.03513058
0.00015079 0.00117597 0.00015858
0.02094443 -0.00258281 0.00646638
19.51591557 20.27667628 -4.42426201
-0.00034194 -0.00069019 -0.00008191
-0.00494135 0.03286304 0.01833569
21.42257008 19.42939851 -6.42840395
0.00125658 -0.00045208 -0.00010482
0.01108106 0.01545697 -0.00530151
1.71880914 13.13882202 -20.29033496
0.00073501 0.00000621 0.00116192
0.00539531 0.00710944 -0.00680134
0.25395262 15.15064675 -21.86816346
-0.00039217 0.00088472 -0.00012475
0.01233898 -0.00149196 0.00821108
9.79461073 -7.03859854 -0.53408857
-0.00018196 -0.00059386 -0.00040667
-0.00577258 -0.01429541 -0.00487832
9.43176974 -4.15558438 -0.31043094
0.00028333 0.00087434 0.00004334
-0.00463861 0.00902968 -0.00228762
-17.03934924 -6.43878801 6.23670055
0.00040791 0.00048620 0.00003730
-0.00642347 -0.00200956 0.00811028
-17.84800346 -5.32758075 3.69723183
0.00070001 -0.00015544 -0.00090739
-0.02516605 -0.00056262 -0.02002199
-14.18192886 -0.95523796 19.03544317
0.00010998 -0.00035606 0.00061773
-0.00390616 0.01519399 -0.04084452
-15.20298504 -0.27798831 21.62546748
-0.00028559 -0.00021879 0.00044747
-0.01049923 0.01278338 0.01155495
-0.25988358 2.79668353 -3.36060788
-0.00023232 -0.00035798 -0.00073250
0.00414717 0.01560411 -0.02202133
1.27792389 2.21627646 -5.72581243
-0.00000462 -0.00016078 0.00113296
-0.00610792 0.00517240 0.00035173
20.26748325 -8.85373317 -6.08030274
-0.00021383 0.00034503 -0.00009713
-0.01192840 -0.01199644 0.02829934
22.53499792 -9.03114042 -4.47506718
-0.00047480 0.00018747 0.00002922
-0.03195695 -0.01957959 0.01797095
4.36592914 -11.25076114 6.39017442
-0.00110513 -0.00038973 -0.00022917
0.06707719 -0.02203873 -0.01280861
2.46133721 -11.07869906 8.51749524
0.00073589 0.00067642 -0.00077503
0.00485667 -0.00540292 0.01692466
-2.45613618 -3.39430327 -20.12170183
0.00132388 0.00048215 0.00088746
0.00432247 -0.00683302 -0.01157922
-3.10069116 -1.78791982 -17.86450915
-0.00019312 -0.00046494 0.00026938
0.02016412 0.00507512 -0.01000909
1.18720033 5.62522144 -11.16417856
-0.00148390 -0.00035796 0.00041133
-0.00713390 0.00462587 -0.01067217
-1.04942952 4.62042835 -9.72362067
-0.00054476 0.00018713 0.00076915
-0.01315051 -0.00332293 0.00068286
-4.01735983 16.97302656 14.61152508
-0.00051426 -0.00080026 -0.00040786
0.00473483 0.01283603 0.01207992
-6.55531101 16.09281686 13.42200925
0.00045602 0.00009554 0.00005634
0.00578670 0.00212890 0.01013894
-5.10268103 2.15318111 -6.69581915
0.00056463 0.00013260 -0.00009069
-0.00080430 -0.00806772 0.01380561
-5.19664228 2.13419332 -9.64321492
0.00025678 0.00098377 0.00009949
-0.00407204 0.00933192 0.00600376
-9.15614928 -1.68151388 -4.36836336
0.00030617 -0.00103443 -0.00012555
0.00577801 -0.00598849 -0.00447636
-9.62406924 0.65859138 -2.88870802
-0.00040199 -0.00013165 0.00084480
0.02288826 0.00224926 -0.01738194
2.45669584 28.99611507 4.54088791
0.00110508 -0.00105567 0.00013197
0.00414815 0.01020425 -0.01749160
1.94658524 27.90173926 7.08182745
-0.00038471 -0.00100154 -0.00017599
0.01784242 -0.00764726 -0.01116292
6.69389244 -9.50674592 -2.43914152
0.00005303 0.00035710 0.00171571
0.03932188 -0.00799541 0.00807719
8.87249979 -11.26472242 -1.21324065
-0.00079909 -0.00067596 -0.00084782
-0.00830217 0.01965929 -0.01043473
-5.17743424 -0.09586465 9.14764207
-0.00086349 0.00081465 -0.00067789
-0.02477391 0.00380372 0.00715900
-8.05813414 1.16536615 9.92926812
0.00027496 0.00025432 -0.00005721
0.02418326 -0.00923232 -0.00163925
19.01263393 9.70009846 7.38632337
0.00030916 -0.00028834 -0.00084357
-0.00556106 -0.00268484 0.02971387
21.57142932 9.92040816 6.02906406
0.00088597 -0.00018613 0.00051292
0.05168102 0.01719275 0.01249003
-3.41228173 0.58155340 -22.32827461
-0.00062595 -0.00043050 0.00042842
0.00660181 -0.00681953 -0.05070556
-5.06795631 0.28681554 -24.68853614
0.00043660 -0.00001564 -0.00028182
-0.06756435 -0.00270344 -0.01647741
-12.74808208 9.62604765 10.48889539
0.00038638 0.00037501 -0.00087850
0.00401087 0.00281804 -0.00592099
-13.91419204 9.42458869 7.83522117
-0.00037128 -0.00016249 -0.00012698
0.00214062 0.01545728 -0.02310346
-13.44590447 3.96460856 -4.85226075
0.00039761 0.00007514 0.00016008
-0.01218727 0.04538814 0.01752695
-15.20186165 6.48489152 -4.43055239
-0.00009293 -0.00078341 0.00104724
-0.00118370 -0.00686479 -0.00964273
-5.40373512 -15.91517985 20.98664705
-0.00040680 -0.00014559 0.00018023
0.00637946 -0.00582931 0.00383395
-2.89846996 -15.03642136 19.70393909
0.00041265 0.00082038 -0.00003900
-0.00730858 -0.00040577 0.00615691
-6.47406338 6.87851865 -6.61487197
0.00038738 -0.00001175 -0.00019162
0.00296123 -0.02053599 -0.00449191
-8.17461409 9.13288833 -5.97732087
-0.00018220 -0.00012667 -0.00135348
0.00883304 0.00443281 0.00001043
-21.06082493 30.70358356 0.17336004
-0.00050957 -0.00070627 -0.00006931
-0.00464323 -0.00096313 0.00067729
-18.18965737 30.13530228 0.31994138
-0.00083740 -0.00054571 -0.00042400
-0.02349782 0.00916549 0.02680471
8.96951314 3.08273943 7.05810979
-0.00009075 0.00008021 0.00016210
-0.04047157 -0.01988538 -0.03654500
9.57005033 5.57878346 8.58317970
-0.00045824 0.00042275 0.00008199
0.01234708 -0.03380378 -0.01518518
8.46912680 17.71473704 -12.36522457
-0.00064031 -0.00048577 -0.00017713
0.00016099 0.00699825 -0.00474078
8.50239655 15.08861969 -11.48423158
-0.00066923 -0.00046853 -0.00007846
-0.01865118 0.01159603 0.00379579
13.19707011 5.69801716 0.13534870
0.00092257 0.00021696 0.00092372
-0.02120053 0.03669205 0.01417062
13.99056424 3.14872646 1.11991573
-0.00147744 0.00071762 0.00032879
-0.00156763 0.01550135 -0.02272520
-4.74980344 12.27636389 -2.74056416
0.00011489 0.00200178 -0.00090464
-0.01250479 -0.01018301 0.01721351
-5.41106844 10.16149089 -0.91765999
-0.00059146 -0.00002180 0.00018219
0.00481341 -0.01292445 0.00485395
7.89032366 12.91308082 4.64124246
0.00021036 0.00052733 -0.00053062
0.01050387 -0.02746136 0.00271865
10.22258315 11.08750978 4.57911162
0.00046398 -0.00078122 -0.00000137
0.01675119 -0.00457924 -0.00243115
19.26046815 -10.56920280 -9.04186577
0.00042222 0.00126555 -0.00000435
0.00771559 -0.01361876 -0.03249475
20.60478287 -12.97030594 -10.30664035
-0.00003507 -0.00009629 0.00004356
-0.01628664 0.04091414 -0.01293070
19.32179600 -4.98776640 -1.83340453
0.00085577 -0.00044551 -0.00050069
0.00135087 -0.01240622 0.02082562
18.31354228 -7.26562614 -0.21569170
0.00019877 0.00054094 -0.00010947
-0.00662051 -0.00831959 -0.00006693
14.63092119 8.82240050 9.27836584
-0.00087407 -0.00068587 -0.00004691
-0.01540223 0.01850847 -0.00242665
16.58611641 7.96459415 11.23669773
-0.00009515 0.00039946 0.00010546
0.00100141 0.00382655 0.00923527
2.87367392 -16.12577071 17.37701283
-0.00026440 -0.00013170 -0.00086784
-0.01319728 0.02605731 -0.00331924
3.24427007 -12.92401026 17.01510610
-0.00009961 -0.00078688 -0.00047457
-0.01048422 -0.00743832 0.01091179
-4.61112512 -4.15832603 -13.69362893
-0.00059659 0.00090415 -0.00003213
-0.00015808 0.00485004 -0.00228198
-2.20023315 -2.41032787 -13.39398198
-0.00039776 -0.00061148 -0.00016196
0.01725315 -0.00101602 0.00538747
16.21293705 -7.47868155 -14.76278955
0.00075387 -0.00048249 0.00027325
0.00481351 0.00952286 0.01422188
17.24854130 -7.25649133 -11.88134801
-0.00019151 0.00078384 0.00012543
0.00526431 -0.00632280 0.00725538
9.13045973 -4.20930926 5.65617605
-0.00053307 0.00007887 0.00063059
-0.00932539 -0.00363146 -0.00632707
12.08487727 -3.96737957 5.63639189
-0.00124810 0.00092036 -0.00052014
-0.03148527 -0.01632916 0.02225124
-20.98219401 -0.33962194 24.92659835
0.00029576 0.00052275 0.00114254
0.00667213 0.02874052 0.00549966
-20.19875034 2.70049799 25.15270551
-0.00094747 0.00051808 -0.00008410
-0.00913820 -0.01149234 0.00556432
24.89290579 -2.31442693 -6.94355710
0.00087513 0.00049411 -0.00022363
-0.00542918 0.01128060 -0.01241444
23.98266585 -0.59668264 -9.18881346
-0.00010101 0.00015373 0.00014545
0.00282272 0.00244259 -0.03312421
12.34224040 -9.83109767 -9.42962138
-0.00063784 0.00128219 -0.00003496
-0.01120937 0.00170905 -0.01143718
12.63615306 -8.57626261 -12.02436385
0.00006123 -0.00072928 0.00035167
-0.00353909 -0.00446733 -0.00245029
-8.79418400 -9.46717548 18.32860091
0.00116554 -0.00109199 -0.00032422
-0.00299827 -0.00057782 0.00541872
-11.55853557 -9.25749054 17.05706757
0.00048113 0.00026091 0.00101111
0.04016940 -0.01546924 0.01095994
8.67397999 0.31801093 -29.83997856
0.00030313 0.00064745 0.00070102
-0.00554933 0.00928744 -0.00858034
5.59254743 0.16968376 -29.32905375
0.00028215 -0.00093835 -0.00044001
0.02503139 0.00350768 -0.00021926
12.60945289 19.59429146 12.45978077
0.00008094 -0.00023328 0.00039915
-0.00289796 0.03191128 0.01373139
13.04150600 17.71357442 10.50599894
-0.00138530 0.00038500 0.00058558
-0.00181832 -0.00865902 0.00734027
27.78334843 7.67895164 -11.57493385
-0.00025398 -0.00018492 0.00010203
0.01929888 0.00072687 -0.00332807
25.83254875 7.26221370 -9.36626663
0.00083101 0.00072196 0.00046061
0.01097821 0.00960139 0.00178691
-6.95287231 4.50532416 6.62258896
0.00024356 -0.00013176 -0.00014776
-0.00313822 0.00016167 -0.00555821
-8.80902652 8.65321974 3.87783039
0.00017916 -0.00015257 -0.00001175
-0.00345931 -0.00293687 -0.00171336
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07974357
0.32062082
427.21116878
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4063669834 (a.u.)
total exchange computation time: 3.0874378681 s
-154.0617995890
-931.40043001
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4056603485 (a.u.)
total exchange computation time: 3.0859749317 s
-154.0681275877
Anderson extrapolation: theta=1.3865024304 (1.3865024304)
-931.40070471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4045568336 (a.u.)
total exchange computation time: 3.0835859776 s
-154.0775701429
Anderson extrapolation: theta=0.0682450484 (0.0682450484)
-931.40088068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.4043853324 (a.u.)
total exchange computation time: 3.0859220028 s
-154.0787899759
Anderson extrapolation: theta=2.3502554296 (2.0000000000)
-931.40089128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4040135061 (a.u.)
total exchange computation time: 3.0860319138 s
-154.0813346850
Anderson extrapolation: theta=0.4247002787 (0.4247002787)
-931.40090571
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4038589233 (a.u.)
total exchange computation time: 3.0899310112 s
-154.0823053772
Anderson extrapolation: theta=0.9774557666 (0.9774557666)
-931.40091001
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.4037363600 (a.u.)
total exchange computation time: 3.0854821205 s
-154.0829823758
Anderson extrapolation: theta=0.5372621671 (0.5372621671)
-931.40091311
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4037030602 (a.u.)
total exchange computation time: 3.0866479874 s
-154.0830654334
Anderson extrapolation: theta=0.7206023160 (0.7206023160)
-931.40091434
30.753888 21.616123 -250.976982
544.732543 1081.056958 -416.469155
575.486431 1102.673081 -667.446136
1411.579576
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1635694970
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4037056875 (a.u.)
total exchange computation time: 3.0867829323 s
679.34097558
-1084.72103508
89.74066998
-388.45828809
-174.89953163
78.80462885
551.60419304
0.00000000
-931.40091494
3.46007305 -31.06169002 -3.84392715
-0.00018164 0.00043619 -0.00006423
0.01858006 -0.00440341 -0.03478485
-11.21924256 2.08420690 -9.40728128
-0.00014696 -0.00027355 -0.00023135
-0.01886815 -0.02541839 0.01191854
-36.79968751 2.06112201 4.03057478
0.00037903 0.00019534 0.00010290
0.02627020 0.02905098 -0.02239706
-7.75920589 -3.69285789 2.81471094
-0.00014458 -0.00024666 -0.00028061
0.00969046 -0.01302939 0.00752634
2.43201766 0.01083756 9.63311468
0.00028734 -0.00006725 -0.00014302
0.02029615 -0.03413247 -0.02295162
-31.34993974 1.39060231 3.51061062
-0.00005991 -0.00012414 0.00010706
0.04093228 -0.03771311 0.00620459
16.58415633 13.22397099 -17.65410123
0.00021976 0.00010614 0.00005051
0.02431375 0.01405588 0.01260237
-3.40459740 4.83893670 3.85305624
-0.00012798 -0.00011547 -0.00042644
0.01348365 -0.01393984 0.03465786
4.84279614 17.33760662 -6.74045447
0.00008836 -0.00008083 -0.00042169
-0.00670881 -0.00881918 -0.01912400
8.33571272 7.58547287 -21.32683932
-0.00002007 0.00032189 -0.00028197
-0.03370687 -0.00033489 -0.01428210
20.14353140 18.87603231 -5.30632672
0.00045538 0.00017337 0.00009445
-0.00774848 -0.05169640 -0.01201373
1.99032710 14.60119673 -21.38017914
-0.00018217 -0.00019170 0.00008790
-0.01983837 -0.00150937 0.00329117
10.59983670 -5.50747374 0.02178698
0.00027372 0.00010086 0.00003184
0.01194805 0.00237308 0.00953726
-16.44620778 -5.62426156 4.73762467
0.00002479 -0.00015841 -0.00006235
0.03297747 0.00194199 0.01170902
-14.20168886 -1.44597792 20.72322466
-0.00000998 0.00025860 -0.00020083
0.00795459 -0.02433202 0.03826246
0.51074008 3.66482648 -4.84921521
-0.00043978 0.00001174 -0.00000031
0.00188250 -0.02011405 0.02272844
20.65059918 -9.58171642 -4.38734283
-0.00041674 0.00003988 -0.00047657
0.03823237 0.02875227 -0.04371833
2.74235449 -10.86391531 6.76089539
-0.00011665 0.00003201 0.00013283
-0.07876391 0.03061763 -0.00998683
-1.94127575 -1.83413897 -19.32920741
-0.00034091 -0.00018867 0.00008695
-0.01627104 0.01691435 0.02621671
-0.64587936 5.38159047 -11.34041388
0.00007104 0.00044849 -0.00020345
-0.00083481 -0.00609756 0.01608619
-4.86265362 15.53272581 13.93950566
0.00009902 0.00022370 0.00067712
-0.01433715 -0.02448579 -0.01580670
-4.97834744 3.22553160 -8.12817641
0.00001697 0.00023993 -0.00018698
0.00550635 0.01500605 0.00382651
-8.47218483 0.00181680 -4.23191354
0.00029329 -0.00012102 0.00031698
-0.03021232 -0.00208753 0.02655073
3.06177084 27.66544303 5.60147836
-0.00001515 -0.00013855 -0.00016518
-0.01611143 -0.01025061 0.03539227
8.58380821 -9.61095778 -2.09127694
-0.00031202 -0.00001098 0.00000003
-0.03839876 -0.01965410 0.00597390
-6.19660959 1.28257548 10.06432270
0.00021488 -0.00035305 -0.00003190
-0.01177566 -0.00627271 -0.02465212
19.88175874 9.55534723 5.83522988
0.00012444 0.00002108 -0.00027233
-0.02677192 -0.01149678 -0.03954723
-3.40658601 0.52602894 -24.28901135
-0.00004557 -0.00013971 0.00000541
0.06246121 0.01122899 0.07112210
-13.68536298 8.51412891 9.37214920
-0.00014174 0.00005925 -0.00013595
0.00003791 -0.02056985 0.02471551
-13.60916482 5.67383457 -3.98222899
0.00029794 -0.00019515 -0.00015607
0.01398665 -0.03739797 -0.00847263
-3.77586958 -15.06657947 21.32256119
0.00003604 0.00002040 0.00010086
0.00069019 -0.00050233 -0.01483292
-6.43405134 8.65006371 -6.33975754
-0.00026135 0.00009094 0.00030020
-0.00227371 0.00807482 -0.00181934
-19.71391751 30.55140776 1.38781518
0.00017945 0.00036970 0.00015820
0.02212175 -0.00481766 -0.03070442
10.20261825 3.79321469 8.06000375
-0.00014035 0.00028900 -0.00003936
0.03351173 0.06134415 0.05536288
7.29119651 16.53048136 -11.63056405
-0.00018260 0.00005852 0.00025630
0.01038420 -0.02266652 0.00921033
14.09457869 4.28990770 -0.41778558
0.00013990 -0.00048247 0.00026131
0.01525525 -0.04170560 0.00190009
-5.91659627 11.85902795 -1.31138514
-0.00025594 -0.00003744 -0.00004275
0.01373825 0.03743368 -0.02996484
8.44620769 11.11322922 4.93723172
0.00007845 -0.00061675 0.00010700
-0.03098882 0.04512259 0.00170219
19.91265319 -11.19407902 -10.72031496
0.00013310 -0.00012585 -0.00025149
0.00687247 -0.02927642 0.04346822
19.28568199 -5.71712200 -0.08955647
0.00005252 0.00012710 0.00022221
0.00542655 0.01219453 -0.02843934
15.80608664 7.54415640 9.66300836
-0.00023587 -0.00006581 0.00006816
0.00979676 -0.01826414 -0.00450310
3.72214513 -14.63258949 16.60527514
-0.00011733 0.00000892 0.00005621
0.02332877 -0.02328052 -0.01112642
-3.81487829 -2.46139584 -14.17238219
-0.00013409 0.00035788 -0.00041465
-0.00526812 0.01501186 -0.00919071
16.26884526 -6.39965935 -13.14877487
-0.00010052 -0.00007106 -0.00001269
-0.01845747 -0.02648281 -0.03575557
10.57891788 -4.57852484 6.69710311
0.00015543 -0.00017738 0.00039919
0.04055431 0.02074788 -0.01880867
-19.64702062 0.95357348 25.26467571
-0.00011240 0.00000767 0.00021315
0.00200947 -0.01232309 -0.00491765
23.95446610 -0.73961887 -7.40590296
-0.00014403 -0.00001000 0.00002517
0.01251047 -0.01416141 0.03357914
11.54297054 -9.74163597 -11.12342701
0.00016145 0.00000403 0.00026741
0.01037512 -0.00012553 0.01897208
-9.77216190 -9.88576094 16.84796612
-0.00013582 0.00021385 0.00022961
-0.03066654 0.01114033 -0.02266696
7.31588030 -0.08775239 -28.66069013
-0.00009348 -0.00042689 -0.00007466
-0.01402360 -0.00509157 0.01033196
12.61050435 17.83159654 12.29716370
0.00010988 0.00020808 -0.00009013
0.00420792 -0.01964273 -0.01056755
26.02405387 7.61160041 -11.16504452
0.00007737 0.00025926 -0.00002047
-0.03028311 -0.00479166 0.01472202
4.29227358 -29.76589869 -4.92199089
0.00084104 -0.00005884 -0.00044582
-0.01214993 -0.00733217 0.00644964
3.16064130 -30.37987576 -2.19864375
-0.00075735 0.00036790 0.00060507
-0.00664016 0.01007118 0.02764193
-9.61777329 2.66337990 -8.93003321
0.00044878 -0.00062250 0.00031550
0.02894657 0.01189766 0.01573561
-11.59894225 2.85248490 -10.99820711
0.00014806 0.00005025 0.00055202
-0.00830521 0.00791137 -0.02518525
-36.87830075 3.60870156 2.95511135
-0.00033396 0.00035425 0.00017481
0.00439793 -0.01809127 0.01844179
-38.51963054 1.58664053 4.12429052
0.00147658 0.00021856 0.00015881
-0.03075287 -0.01194556 0.00092880
-9.09407412 -4.78965430 2.18014086
-0.00013627 -0.00046782 0.00017180
-0.01777967 0.00624685 -0.01529396
-6.37566292 -4.89617146 2.64565913
0.00019290 -0.00010818 0.00041558
0.00350595 0.00963733 0.00653210
3.43765618 -1.25071195 8.60805317
-0.00022755 0.00050129 -0.00026136
-0.01869697 0.02585433 0.02266843
1.45550425 0.84058735 8.34099647
-0.00083465 0.00038448 -0.00019625
-0.00109408 0.00723388 -0.00133941
-30.52222932 -0.36248458 3.47178306
0.00080516 0.00018106 -0.00110342
-0.02010309 0.03165496 -0.00423222
-33.07490278 1.12569785 3.96067879
-0.00046439 -0.00014068 0.00088272
-0.01728089 -0.00011464 -0.00033175
15.32745421 12.21549669 -18.47281392
0.00081496 0.00075543 0.00135915
-0.01505590 -0.01005354 -0.00469412
17.97100819 11.97495616 -17.43577707
-0.00089727 -0.00065284 -0.00082498
-0.00674361 0.00865243 -0.00242548
-2.34966479 6.02772935 4.80964686
-0.00008000 -0.00126365 -0.00069905
-0.01270843 -0.00501694 -0.00767140
-3.50700826 5.58451276 2.23666270
0.00048700 -0.00024302 -0.00109873
-0.00227130 0.01228744 -0.02575078
5.95261210 17.54088017 -8.21859018
-0.00096537 0.00058974 0.00076793
-0.00383953 -0.01108348 -0.00496746
5.67783755 18.32205150 -5.52071245
0.00086560 -0.00053315 0.00050763
0.01771657 0.01585285 0.02277773
8.88392409 6.51591230 -22.71061213
-0.00043044 0.00059163 -0.00022320
0.01149333 0.00065381 0.00076084
9.53216759 7.98443348 -20.03255374
0.00022979 0.00116248 0.00017664
0.01772696 -0.00402305 0.00237495
19.51063512 20.26733050 -4.42492875
-0.00036346 -0.00054902 -0.00000445
-0.00559317 0.03623860 0.01958197
21.44175827 19.42309096 -6.43013878
0.00129428 -0.00038984 -0.00011963
0.00737344 0.01500976 -0.00194494
1.72999966 13.13913295 -20.27311457
0.00075491 0.00003956 0.00113009
0.00434336 0.00921823 -0.00878001
0.24844815 15.16387183 -21.86978306
-0.00033714 0.00087408 -0.00008766
0.01459725 -0.00371802 0.00994540
9.79170447 -7.04794447 -0.54033809
-0.00019979 -0.00063950 -0.00042236
-0.00295673 -0.00804656 -0.00280261
9.43587761 -4.14219257 -0.30985091
0.00026968 0.00090347 0.00003519
-0.00204321 0.00522792 -0.00170414
-17.03342747 -6.43155659 6.23750851
0.00037848 0.00047587 0.00007389
-0.00798372 -0.00304654 0.00980230
-17.83827448 -5.32992965 3.68300748
0.00059707 -0.00015863 -0.00098778
-0.02522214 -0.00099819 -0.01933076
-14.18039885 -0.96011321 19.04345758
0.00009356 -0.00028838 0.00043481
-0.00413359 0.01793279 -0.04869693
-15.20759066 -0.28087844 21.63253367
-0.00032625 -0.00016894 0.00049146
-0.00940175 0.01161720 0.00997453
-0.26324128 2.79179202 -3.37227025
-0.00021950 -0.00029543 -0.00081533
0.00212881 0.01501349 -0.01852156
1.27766737 2.21402328 -5.70880725
-0.00002732 -0.00014113 0.00113036
-0.00500126 0.00444721 -0.00162573
20.26391020 -8.84892534 -6.08089249
-0.00026325 0.00029727 0.00001495
-0.01226207 -0.01138034 0.02656146
22.52689659 -9.02892831 -4.47407826
-0.00060379 0.00010782 0.00010213
-0.03118235 -0.01941256 0.01772051
4.35140764 -11.25728235 6.38634437
-0.00081682 -0.00048379 -0.00028630
0.07405017 -0.02400832 -0.01515536
2.47252434 -11.06871835 8.50638839
0.00075198 0.00065238 -0.00068694
0.00302119 -0.00636496 0.02619619
-2.43614550 -3.38728038 -20.10874481
0.00133497 0.00043658 0.00083183
0.00110651 -0.01547651 -0.01565263
-3.10297007 -1.79473841 -17.86077509
-0.00011291 -0.00044499 0.00023330
0.01909816 0.00468970 -0.00765518
1.16472315 5.61999383 -11.15833565
-0.00149045 -0.00033549 0.00036942
0.00393085 0.00637164 -0.00984154
-1.05800395 4.62313352 -9.71206250
-0.00059546 0.00018042 0.00075679
-0.01166417 0.00003548 -0.00673184
-4.02492858 16.96141602 14.60577730
-0.00048255 -0.00072763 -0.00034926
0.01078481 0.02271600 0.01660861
-6.54829332 16.09431522 13.42316504
0.00047680 0.00010458 0.00009690
0.00438295 0.00229725 0.00971490
-5.09423623 2.15492293 -6.69675646
0.00056161 0.00010075 -0.00003672
-0.00067206 -0.00752255 0.01261327
-5.19291534 2.14923584 -9.64153861
0.00023977 0.00101621 0.00011815
-0.00425549 0.00654901 0.00313324
-9.15137973 -1.69721387 -4.37038379
0.00033423 -0.00104555 -0.00014176
0.00796127 0.00054826 -0.00345693
-9.62939769 0.65668562 -2.87656872
-0.00030295 -0.00012674 0.00076710
0.02559192 0.00015343 -0.02065008
2.47339921 28.98059270 4.54233148
0.00111436 -0.00099850 0.00004980
0.00039279 0.01777873 -0.02273117
1.94136138 27.88648190 7.07884548
-0.00031122 -0.00103134 -0.00022346
0.01812782 -0.00694365 -0.01207002
6.69589284 -9.50163441 -2.41315835
0.00020635 0.00032584 0.00174540
0.03573006 -0.00730653 0.00645749
8.86025902 -11.27425948 -1.22627772
-0.00083122 -0.00059454 -0.00088966
-0.00742510 0.02019761 -0.01004685
-5.19114581 -0.08352833 9.13769305
-0.00095899 0.00082429 -0.00065169
-0.02197013 0.00091584 0.00566846
-8.05326873 1.16889811 9.92835971
0.00037182 0.00021658 -0.00006432
0.02323113 -0.00924264 -0.00183856
19.01710092 9.69569107 7.37458030
0.00028096 -0.00029846 -0.00071318
-0.00824106 -0.00226663 0.03411604
21.58630252 9.91814309 6.03714065
0.00107940 -0.00011987 0.00056171
0.04300629 0.01524006 0.01139062
-3.42146861 0.57488694 -22.32340208
-0.00059838 -0.00045807 0.00021797
0.00689121 -0.00667806 -0.05231061
-5.06347774 0.28649805 -24.69326835
0.00015419 -0.00002752 -0.00035097
-0.07067629 -0.00311067 -0.01737055
-12.74216342 9.63175912 10.47553648
0.00040268 0.00038608 -0.00090181
0.00396674 0.00260040 -0.00548810
-13.91969559 9.42262498 7.83260857
-0.00036302 -0.00009935 -0.00022250
0.00189883 0.01544869 -0.02365854
-13.44031380 3.96712647 -4.84932252
0.00034791 0.00025627 0.00022956
-0.01213957 0.04327651 0.01648677
-15.20329183 6.47292994 -4.41513924
-0.00010001 -0.00081019 0.00100655
-0.00228277 -0.00624189 -0.01027587
-5.40964160 -15.91754229 20.98946796
-0.00037487 -0.00016699 0.00019567
0.00924799 -0.00464852 0.00372337
-2.89250415 -15.02412816 19.70354283
0.00037934 0.00081797 -0.00001010
-0.00899615 -0.00077252 0.00798972
-6.46816197 6.87771317 -6.61788397
0.00039910 -0.00009176 -0.00020939
0.00277598 -0.01862914 -0.00420305
-8.17707635 9.13112416 -5.99762278
-0.00015243 -0.00010745 -0.00135166
0.00573553 0.00497335 0.00088102
-21.06861076 30.69295995 0.17234110
-0.00052254 -0.00071044 -0.00005957
-0.00170662 -0.00107858 0.00409230
-18.20293841 30.12739750 0.31440278
-0.00092881 -0.00050844 -0.00031592
-0.02124830 0.00907922 0.02610002
8.96691178 3.08333318 7.05942146
-0.00025531 -0.00000056 0.00001367
-0.04008545 -0.01964960 -0.03611432
9.56355513 5.58408889 8.58394424
-0.00040710 0.00028344 0.00001957
0.01268708 -0.03439146 -0.01536987
8.45952702 17.70766497 -12.36802677
-0.00063474 -0.00045272 -0.00019900
0.00256644 0.00917801 -0.00596715
8.49178659 15.08194706 -11.48529219
-0.00074534 -0.00041989 -0.00006297
-0.01860684 0.01221542 0.00378628
13.21025899 5.70239593 0.14963874
0.00084069 0.00036189 0.00097723
-0.01888175 0.03425265 0.01202476
13.96835464 3.15996578 1.12415125
-0.00148127 0.00077375 0.00024065
-0.00031079 0.01197512 -0.02042169
-4.74846324 12.30607859 -2.75360622
0.00005581 0.00195202 -0.00082147
-0.01641660 -0.01417730 0.02349494
-5.41979287 10.16076791 -0.91477845
-0.00056952 -0.00007394 0.00019926
0.00592645 -0.01259821 0.00350498
7.89380098 12.92014926 4.63336651
0.00025658 0.00040303 -0.00051709
0.01211775 -0.03338234 0.00390240
10.23005619 11.07565116 4.57901658
0.00052627 -0.00079967 -0.00000991
0.01374054 -0.00445258 -0.00174923
19.26703783 -10.55063685 -9.04292669
0.00045592 0.00120616 -0.00014237
0.00878200 -0.01545365 -0.03506729
20.60375770 -12.97049654 -10.30638315
-0.00010131 0.00007050 -0.00000854
-0.01613637 0.04072949 -0.01257315
19.33467395 -4.99482916 -1.84027674
0.00086096 -0.00049675 -0.00041080
0.00118939 -0.01267971 0.02317742
18.31632101 -7.25776698 -0.21733583
0.00016888 0.00050184 -0.00010923
-0.00801127 -0.01081907 0.00018645
14.61733819 8.81267959 9.27758782
-0.00093628 -0.00061085 -0.00005629
-0.01505162 0.01821285 -0.00216456
16.58471978 7.97070334 11.23856265
-0.00009288 0.00041486 0.00013978
0.00011011 0.00371236 0.00756336
2.86930359 -16.12694767 17.36389359
-0.00031957 -0.00002665 -0.00087981
-0.01381076 0.02536201 -0.00254324
3.24245461 -12.93604142 17.00832189
-0.00014669 -0.00080387 -0.00042671
-0.01256104 -0.00087770 0.01251907
-4.62007874 -4.14461512 -13.69418075
-0.00059802 0.00092220 -0.00004240
-0.00054259 0.00398302 -0.00274495
-2.20567079 -2.41953115 -13.39624622
-0.00032510 -0.00061491 -0.00013920
0.01831114 -0.00066271 0.00575324
16.22439266 -7.48562702 -14.75825497
0.00077283 -0.00044292 0.00033114
0.00446760 0.00984647 0.01411333
17.24583001 -7.24492745 -11.87924422
-0.00016709 0.00075535 0.00015827
0.00668718 -0.00762431 0.00881954
9.12217788 -4.20823753 5.66544096
-0.00056625 0.00006179 0.00060985
-0.00691308 -0.00472650 -0.00382220
12.06519098 -3.95407456 5.62927169
-0.00137178 0.00085332 -0.00042900
-0.02905911 -0.01648849 0.02235950
-20.97755315 -0.33090007 24.94390493
0.00031601 0.00063253 0.00116228
0.00323898 0.02499946 0.00416658
-20.21324244 2.70791702 25.15161457
-0.00098018 0.00046065 -0.00006018
-0.00687392 -0.01662123 0.00614224
24.90586641 -2.30666968 -6.94729190
0.00085217 0.00053972 -0.00027385
-0.00581058 0.01105017 -0.01217040
23.98123724 -0.59430186 -9.18764681
-0.00008945 0.00016411 0.00000916
0.00283501 0.00264109 -0.03358907
12.33232928 -9.81181247 -9.43049618
-0.00068030 0.00128737 -0.00007314
-0.00957322 0.00082810 -0.00725510
12.63696312 -8.58733872 -12.01916394
0.00005172 -0.00074170 0.00033625
-0.00112076 -0.00160991 -0.00509560
-8.77679281 -9.48357308 18.32390372
0.00115295 -0.00109388 -0.00030061
-0.00316519 -0.00034506 0.00613834
-11.55008773 -9.25405090 17.07257000
0.00063966 0.00019982 0.00105654
0.03743197 -0.01443440 0.01128281
8.67835696 0.32800730 -29.82972613
0.00027981 0.00068486 0.00066548
-0.00586792 0.00902583 -0.00881801
5.59754671 0.15571594 -29.33566061
0.00038090 -0.00092254 -0.00044236
0.02330542 0.00423468 -0.00093022
12.61057815 19.59177016 12.46618873
0.00006910 -0.00009701 0.00045605
-0.00289903 0.03479096 0.01412306
13.02067084 17.71908409 10.51500760
-0.00138941 0.00034854 0.00060079
-0.00019607 -0.00919080 0.00010430
27.78013018 7.67620017 -11.57350535
-0.00017046 -0.00018136 0.00008668
0.02158075 0.00101253 -0.00418870
25.84535034 7.27333726 -9.35930276
0.00087464 0.00076133 0.00046301
0.01037966 0.00967295 -0.00060873
-6.94922733 4.50334814 6.62035766
0.00024242 -0.00013169 -0.00014976
-0.00325657 0.00024472 -0.00560540
-8.80634514 8.65092603 3.87765115
0.00017835 -0.00015326 -0.00001215
-0.00349220 -0.00297396 -0.00171501
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08100760
0.31990734
426.26049583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4139607286 (a.u.)
total exchange computation time: 3.0646338463 s
-154.0977427293
-931.39990738
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4133060734 (a.u.)
total exchange computation time: 3.0644099712 s
-154.1041832080
Anderson extrapolation: theta=1.3996153711 (1.3996153711)
-931.40019106
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.4123688793 (a.u.)
total exchange computation time: 3.0617051125 s
-154.1132821328
Anderson extrapolation: theta=0.0722500503 (0.0722500503)
-931.40037462
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4122900694 (a.u.)
total exchange computation time: 3.0679209232 s
-154.1140317347
Anderson extrapolation: theta=2.3382396355 (2.0000000000)
-931.40038596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4121450977 (a.u.)
total exchange computation time: 3.0596950054 s
-154.1154002419
Anderson extrapolation: theta=0.4042585195 (0.4042585195)
-931.40040096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4121101211 (a.u.)
total exchange computation time: 3.0632200241 s
-154.1157332544
Anderson extrapolation: theta=0.9374441442 (0.9374441442)
-931.40040502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4121068675 (a.u.)
total exchange computation time: 3.0624620914 s
-154.1157778093
Anderson extrapolation: theta=0.5186796727 (0.5186796727)
-931.40040775
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4121311449 (a.u.)
total exchange computation time: 3.0638720989 s
-154.1155680822
Anderson extrapolation: theta=0.7269074666 (0.7269074666)
-931.40040876
30.795207 21.647513 -250.932556
544.691663 1081.099570 -416.455430
575.486870 1102.747083 -667.387986
1411.610071
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4121661188 (a.u.)
total exchange computation time: 3.0615329742 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4121661188 (a.u.)
total exchange computation time: 3.0633978844 s
[qbox] save md165.xml
SampleWriter: write time: 1.298 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1171.78 MB/s
[qbox] run 10 8
EnergyFunctional: np0v,np1v,np2v: 140 140 140
EnergyFunctional: vft->np012(): 2744000
|
reciprocal lattice vectors
0.283174 0.000000 0.000000
0.000000 0.283174 0.000000
0.000000 0.000000 0.283174
kpoint: 0.000000 0.000000 0.000000 weight: 1.000000
sdcontext: 256x16
basis size: 72247
c dimensions: 81152x215 (317x14 blocks)
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1631800973
ExchangeOperator: bisection time: 1.759 s
total exchange = -52.4121661188 (a.u.)
total exchange computation time: 3.0630199909 s
679.47844888
-1085.00641633
89.72570775
-388.26417463
-174.92180876
78.96049449
551.60419304
0.00000000
-931.40040920
3.45742006 -31.05516416 -3.84502478
-0.00017224 0.00043459 -0.00008112
0.01797205 -0.00183281 -0.03088643
-11.22151973 2.08000560 -9.41070558
-0.00015499 -0.00028663 -0.00022372
-0.01237061 -0.02545356 0.01775009
-36.79390073 2.06416413 4.03203188
0.00039443 0.00021100 0.00009110
0.03360147 0.03187148 -0.02347279
-7.76133722 -3.69660805 2.81053077
-0.00013940 -0.00025332 -0.00027667
0.01044248 -0.01286746 0.00779623
2.43640608 0.00969715 9.63088082
0.00029625 -0.00008328 -0.00015546
0.01432441 -0.02819003 -0.02540215
-31.35068048 1.38859468 3.51224045
-0.00004000 -0.00014346 0.00011043
0.03649422 -0.03741788 0.00691642
16.58754652 13.22561727 -17.65329496
0.00023365 0.00011485 0.00005800
0.02970717 0.01981886 0.01651906
-3.40646503 4.83715080 3.84679331
-0.00012200 -0.00012315 -0.00041056
0.00974117 -0.01591448 0.02710342
4.84409573 17.33636018 -6.74685356
0.00008429 -0.00008444 -0.00042808
-0.00915226 -0.00523677 -0.00574658
8.33528159 7.59029990 -21.33112396
-0.00003682 0.00032244 -0.00028782
-0.03143031 0.00248277 -0.00847518
20.15033219 18.87843345 -5.30495631
0.00045242 0.00014642 0.00008725
-0.00377540 -0.05308746 -0.01596937
1.98751802 14.59831537 -21.37884793
-0.00019259 -0.00019242 0.00008963
-0.02067460 -0.00128902 0.00342651
10.60398856 -5.50595171 0.02230134
0.00027840 0.00010142 0.00003601
0.00625512 -0.00019256 0.00668200
-16.44570869 -5.62663026 4.73673454
0.00004186 -0.00015703 -0.00005707
0.03339416 0.00345105 0.00881574
-14.20180786 -1.44219281 20.72035985
-0.00000619 0.00024593 -0.00017907
0.00676503 -0.02493051 0.04634601
0.50415070 3.66492499 -4.84913216
-0.00043853 0.00000186 0.00001078
0.00296503 -0.01831664 0.02040213
20.64449561 -9.58100724 -4.39466007
-0.00039726 0.00005435 -0.00049832
0.03751219 0.02749021 -0.04085654
2.74030085 -10.86331708 6.76284925
-0.00015746 0.00004823 0.00012578
-0.07992035 0.03245918 -0.01740386
-1.94645215 -1.83690384 -19.32780200
-0.00034839 -0.00017766 0.00010148
-0.01280321 0.02591967 0.03027682
-0.64481694 5.38829433 -11.34340355
0.00006716 0.00044409 -0.00019362
-0.01425878 -0.01101889 0.02212843
-4.86122357 15.53598683 13.94960147
0.00009047 0.00020856 0.00066793
-0.01893073 -0.03438120 -0.01990544
-4.97807172 3.22918850 -8.13096636
0.00001986 0.00024814 -0.00018379
0.00576300 0.01689109 0.00859542
-8.46790207 -0.00000659 -4.22705640
0.00027669 -0.00012323 0.00033099
-0.03430723 -0.00650521 0.02792653
3.06148147 27.66332528 5.59913711
-0.00002253 -0.00014581 -0.00014557
-0.01260805 -0.01800794 0.04088929
8.57897984 -9.61119829 -2.09125346
-0.00033078 -0.00002126 0.00000343
-0.03455259 -0.02031521 0.00723207
-6.19343188 1.27725552 10.06374909
0.00020835 -0.00035524 -0.00004392
-0.01359023 -0.00225801 -0.02207745
19.88352201 9.55561909 5.83099232
0.00011377 0.00001564 -0.00029321
-0.01471224 -0.00967612 -0.04164491
-3.40702859 0.52397655 -24.28865588
-0.00001364 -0.00013398 0.00004210
0.06168050 0.01105017 0.07154158
-13.68748899 8.51493829 9.37020531
-0.00014161 0.00004889 -0.00012340
0.00049335 -0.01969190 0.02407756
-13.60464178 5.67076310 -3.98460266
0.00030528 -0.00021364 -0.00015991
0.01455813 -0.03450466 -0.00648680
-3.77532626 -15.06627540 21.32401688
0.00003609 0.00001991 0.00009288
-0.00051664 -0.00140698 -0.01619333
-6.43798031 8.65145889 -6.33526153
-0.00026165 0.00009425 0.00029898
0.00110918 0.00481392 -0.00292553
-19.71114041 30.55693467 1.39006968
0.00018933 0.00036731 0.00014188
0.01628256 -0.00445936 -0.03274194
10.20064220 3.79778631 8.05962695
-0.00012370 0.00032018 -0.00001139
0.03124986 0.05989037 0.05340995
7.28849749 16.53127180 -11.62668398
-0.00017791 0.00004632 0.00026121
0.00786990 -0.02477975 0.00988601
14.09673608 4.28250972 -0.41385856
0.00014668 -0.00050189 0.00026224
0.01111422 -0.03380986 0.00171996
-5.92038232 11.85861075 -1.31214203
-0.00024826 -0.00001744 -0.00005920
0.01610457 0.04032175 -0.03397350
8.44726484 11.10415197 4.93884330
0.00006310 -0.00059233 0.00010741
-0.02870222 0.04983384 -0.00011454
19.91467614 -11.19607976 -10.72391966
0.00013630 -0.00014020 -0.00022884
0.00557350 -0.02652118 0.04460009
19.28649074 -5.71516843 -0.08633307
0.00005575 0.00013389 0.00020700
0.00713846 0.01418431 -0.03070634
15.80258642 7.54309885 9.66401345
-0.00023082 -0.00007489 0.00006620
0.00984835 -0.01705977 -0.00313675
3.72047513 -14.63254543 16.60607544
-0.00010463 -0.00000447 0.00004994
0.02608475 -0.02881496 -0.01327146
-3.81690999 -2.45596968 -14.17863742
-0.00013678 0.00036544 -0.00041953
-0.00519853 0.01438107 -0.00979066
16.26726620 -6.40082736 -13.14910321
-0.00011015 -0.00008432 -0.00003120
-0.01897276 -0.02509498 -0.03619582
10.58140583 -4.58110553 6.70301835
0.00017482 -0.00016648 0.00038896
0.03481134 0.02162731 -0.02094799
-19.64869884 0.95364098 25.26785399
-0.00011084 0.00000358 0.00021076
0.00405121 -0.00356027 -0.00438682
23.95235386 -0.73982345 -7.40539587
-0.00013748 -0.00001717 0.00004209
0.01296913 -0.01374516 0.03220924
11.54543232 -9.74157606 -11.11934262
0.00016566 0.00000341 0.00027663
0.00598276 -0.00228713 0.01687770
-9.77431749 -9.88251026 16.85132283
-0.00015054 0.00021920 0.00021778
-0.02656809 0.00965601 -0.02333966
7.31442394 -0.09417542 -28.66177022
-0.00009994 -0.00042956 -0.00006918
-0.01108194 -0.00529740 0.01097499
12.61216876 17.83464190 12.29577101
0.00011163 0.00019771 -0.00009366
0.00262059 -0.02065731 -0.00316026
26.02509764 7.61547082 -11.16529476
0.00006152 0.00025671 -0.00001218
-0.03137170 -0.00512928 0.01751157
4.30451688 -29.76700591 -4.92848056
0.00078861 -0.00009106 -0.00041566
-0.01351569 -0.00844101 0.00831254
3.14907763 -30.37404860 -2.18872061
-0.00078160 0.00040544 0.00070692
-0.00523232 0.00830441 0.02221402
-9.61015454 2.65440697 -8.92481849
0.00055566 -0.00057784 0.00037626
0.02337152 0.00996154 0.01400478
-11.59697581 2.85348107 -10.99069852
0.00011243 0.00008676 0.00044139
-0.00913963 0.00996203 -0.02896810
-36.88317536 3.61346087 2.95829861
-0.00031453 0.00028005 0.00025041
0.00511127 -0.01822690 0.01856322
-38.49842414 1.58955284 4.12670107
0.00133398 0.00016430 0.00016448
-0.03905145 -0.01461540 0.00184787
-9.09666300 -4.79648017 2.18224925
-0.00020817 -0.00044272 0.00010900
-0.01741602 0.00603982 -0.01544855
-6.37266196 -4.89749877 2.65209293
0.00020530 -0.00006800 0.00044182
0.00256261 0.01003028 0.00631240
3.43367000 -1.24240041 8.60482742
-0.00029976 0.00060164 -0.00017303
-0.01665136 0.02326743 0.02056996
1.44295094 0.84657623 8.33801168
-0.00083132 0.00040721 -0.00019212
0.00272591 0.00389283 0.00336232
-30.51076800 -0.35879865 3.45510202
0.00072053 0.00030967 -0.00111919
-0.02132359 0.03130148 -0.00348747
-33.08239817 1.12358414 3.97390941
-0.00052410 -0.00014113 0.00087872
-0.01194579 -0.00010506 -0.00162383
15.33921721 12.22652014 -18.45257058
0.00073561 0.00070428 0.00132929
-0.02378327 -0.01498732 -0.00992134
17.95734256 11.96542868 -17.44822613
-0.00091778 -0.00061929 -0.00083249
-0.00329865 0.00776986 -0.00124978
-2.35125426 6.00862081 4.79892601
-0.00012474 -0.00127575 -0.00072429
-0.00919060 -0.00090615 -0.00468180
-3.49977293 5.58124394 2.21939264
0.00047860 -0.00019688 -0.00119448
-0.00183745 0.01030046 -0.02112032
5.93801389 17.54938658 -8.20722337
-0.00096839 0.00054643 0.00073088
0.00235970 -0.01011311 -0.01317307
5.69136440 18.31454002 -5.51239995
0.00093041 -0.00047703 0.00059052
0.01400894 0.01161804 0.01779420
8.87781974 6.52480685 -22.71393677
-0.00038053 0.00059125 -0.00022306
0.01293451 -0.00084122 -0.00069219
9.53615770 8.00174739 -20.02983135
0.00029508 0.00114288 0.00017749
0.01422966 -0.00556977 -0.00196127
19.50501188 20.26020564 -4.42439539
-0.00038644 -0.00039707 0.00007662
-0.00565750 0.03814047 0.02010030
21.46139834 19.41770329 -6.43199280
0.00131609 -0.00032981 -0.00012013
0.00330647 0.01437332 0.00169824
1.74145636 13.14000883 -20.25643227
0.00077042 0.00008089 0.00109061
0.00325268 0.01101401 -0.01054725
0.24383830 15.17686905 -21.87079313
-0.00027391 0.00085470 -0.00004382
0.01635807 -0.00576674 0.01151256
9.78861700 -7.05778354 -0.54675936
-0.00020616 -0.00065977 -0.00042958
-0.00016001 -0.00187677 -0.00073315
9.43986027 -4.12848035 -0.30937532
0.00026664 0.00091697 0.00002940
0.00055077 0.00138119 -0.00112818
-17.02799498 -6.42451189 6.23891721
0.00034295 0.00046167 0.00011675
-0.00940858 -0.00390245 0.01117697
-17.83009127 -5.33233972 3.66759842
0.00049618 -0.00016408 -0.00106356
-0.02416417 -0.00166712 -0.01776515
-14.17912218 -0.96388943 19.04848753
0.00007610 -0.00021067 0.00022368
-0.00441240 0.02010740 -0.05465432
-15.21277248 -0.28305659 21.64021116
-0.00036166 -0.00012468 0.00052818
-0.00793193 0.01004990 0.00800427
-0.26646850 2.78782063 -3.38506773
-0.00021557 -0.00023608 -0.00088265
-0.00020756 0.01403657 -0.01443401
1.27710434 2.21204265 -5.69190171
-0.00004530 -0.00012465 0.00111960
-0.00380185 0.00361791 -0.00363858
20.25958566 -8.84481497 -6.07985438
-0.00031425 0.00025273 0.00011842
-0.01270373 -0.01042622 0.02408839
22.51688420 -9.02790593 -4.47200333
-0.00072824 0.00002937 0.00017376
-0.02973621 -0.01898815 0.01734482
4.34142439 -11.26527495 6.38158550
-0.00050843 -0.00058403 -0.00035116
0.07691082 -0.02505955 -0.01659310
2.48389663 -11.05912773 8.49688699
0.00076107 0.00062465 -0.00056183
0.00142721 -0.00720727 0.03504546
-2.41608701 -3.38120599 -20.09674707
0.00133360 0.00035588 0.00075938
-0.00178002 -0.02402295 -0.01981195
-3.10407852 -1.80126958 -17.85751018
-0.00003574 -0.00042616 0.00020215
0.01867612 0.00452892 -0.00759176
1.14248689 5.61515671 -11.15309589
-0.00145003 -0.00030588 0.00033146
0.01585596 0.00812090 -0.00874288
-1.06729324 4.62584087 -9.70091691
-0.00064009 0.00018689 0.00071527
-0.01018185 0.00313474 -0.01359420
-4.03183638 16.95119766 14.60104739
-0.00042666 -0.00061559 -0.00027280
0.01657426 0.03213046 0.02081628
-6.54100701 16.09595438 13.42491622
0.00049147 0.00011432 0.00013550
0.00279582 0.00246905 0.00918190
-5.08583262 2.15620372 -6.69692074
0.00055919 0.00007180 0.00001139
-0.00051402 -0.00664865 0.01093678
-5.18944919 2.16467972 -9.63967027
0.00022199 0.00103694 0.00012456
-0.00444634 0.00359812 0.00000314
-9.14612227 -1.71288025 -4.37261607
0.00037079 -0.00103070 -0.00015375
0.00993420 0.00671711 -0.00241337
-9.63315771 0.65478926 -2.86569499
-0.00019417 -0.00012970 0.00067750
0.02765708 -0.00160540 -0.02321208
2.49012666 28.96615993 4.54238193
0.00110875 -0.00091117 -0.00005319
-0.00313869 0.02497267 -0.02768392
1.93724850 27.87079898 7.07512379
-0.00023744 -0.00105796 -0.00027365
0.01798936 -0.00608393 -0.01250063
6.70008300 -9.49697069 -2.38677942
0.00034289 0.00029769 0.00176829
0.03110667 -0.00647113 0.00474407
8.84756320 -11.28255869 -1.23993052
-0.00085951 -0.00051192 -0.00092943
-0.00642333 0.02024744 -0.00942045
-5.20620385 -0.07113588 9.12809143
-0.00104216 0.00082118 -0.00063231
-0.01874551 -0.00243771 0.00381639
-8.04697957 1.17186362 9.92733861
0.00046344 0.00017884 -0.00007223
0.02161706 -0.00923254 -0.00203458
19.02106286 9.69114477 7.36492808
0.00024307 -0.00030708 -0.00056705
-0.01031054 -0.00195546 0.03741550
21.60381142 9.91681203 6.04591533
0.00123438 -0.00006212 0.00060543
0.03285516 0.01302867 0.01000877
-3.43023315 0.56781120 -22.32173546
-0.00056965 -0.00048502 0.00000338
0.00717514 -0.00651191 -0.05273183
-5.06333065 0.28598992 -24.69906514
-0.00013363 -0.00004002 -0.00042199
-0.07021286 -0.00300833 -0.01739629
-12.73600165 9.63762996 10.46184122
0.00041871 0.00039620 -0.00092335
0.00388185 0.00235340 -0.00505834
-13.92508276 9.42160807 7.82854603
-0.00035549 -0.00003734 -0.00031844
0.00179103 0.01490580 -0.02330002
-13.43546711 3.97229663 -4.84537389
0.00029882 0.00042641 0.00029369
-0.01188918 0.04000775 0.01490458
-15.20486190 6.46058582 -4.40035585
-0.00011114 -0.00083453 0.00096357
-0.00316640 -0.00567110 -0.01076159
-5.41498131 -15.92018962 20.99251707
-0.00033172 -0.00018377 0.00021057
0.01187554 -0.00356353 0.00357394
-2.88708968 -15.01188230 19.70363623
0.00033958 0.00081405 0.00002558
-0.01046689 -0.00114729 0.00947598
-6.46209042 6.87576597 -6.62115356
0.00040998 -0.00016249 -0.00022572
0.00255026 -0.01599603 -0.00379375
-8.17918710 9.12966480 -6.01787070
-0.00013553 -0.00008607 -0.00134647
0.00253896 0.00549277 0.00165925
-21.07650119 30.68227025 0.17157296
-0.00052361 -0.00071488 -0.00003603
0.00118175 -0.00109394 0.00743018
-18.21752168 30.12004914 0.31046375
-0.00100961 -0.00047200 -0.00021187
-0.01830174 0.00875536 0.02483300
8.96185374 3.08272269 7.05851981
-0.00041426 -0.00007806 -0.00012983
-0.03771892 -0.01828786 -0.03412705
9.55783747 5.58728660 8.58376682
-0.00035504 0.00014315 -0.00004314
0.01279411 -0.03428229 -0.01532749
8.45008452 17.70115539 -12.37119467
-0.00061975 -0.00041131 -0.00022567
0.00477010 0.01109503 -0.00708413
8.48003629 15.07602306 -11.48612076
-0.00082050 -0.00036956 -0.00004746
-0.01818454 0.01241948 0.00380913
13.22229068 5.70887391 0.16466574
0.00076998 0.00049388 0.00102080
-0.01573017 0.03035707 0.00930181
13.94612600 3.17193900 1.12713520
-0.00148023 0.00081488 0.00016291
0.00082034 0.00815547 -0.01763002
-4.74812915 12.33492441 -2.76520838
-0.00001768 0.00188641 -0.00071471
-0.01955796 -0.01793944 0.02876623
-5.42815410 10.15927284 -0.91168211
-0.00054345 -0.00012365 0.00021072
0.00683705 -0.01173540 0.00210594
7.89802095 12.92517182 4.62572971
0.00030850 0.00025703 -0.00049902
0.01329748 -0.03808608 0.00494165
10.23837134 11.06351967 4.57881433
0.00057535 -0.00081762 -0.00001547
0.01028075 -0.00433207 -0.00097444
19.27414573 -10.53301799 -9.04613675
0.00049327 0.00113997 -0.00028910
0.00950059 -0.01694834 -0.03676210
20.60174360 -12.96819099 -10.30689650
-0.00016616 0.00023468 -0.00005874
-0.01560961 0.03963679 -0.01200033
19.34762480 -5.00266901 -1.84572850
0.00086547 -0.00054845 -0.00031268
0.00101841 -0.01262359 0.02485316
18.31860876 -7.25057089 -0.21896854
0.00013373 0.00045325 -0.00010788
-0.00919595 -0.01296538 0.00047292
14.60283274 8.80407489 9.27667715
-0.00099567 -0.00053850 -0.00006413
-0.01401798 0.01720380 -0.00167318
16.58332990 7.97704003 11.24089110
-0.00009449 0.00042964 0.00016684
-0.00089677 0.00352066 0.00568146
2.86408685 -16.12657029 17.35061849
-0.00037738 0.00007482 -0.00088848
-0.01449008 0.02431163 -0.00169891
3.23986934 -12.94812638 17.00230493
-0.00020220 -0.00079392 -0.00037247
-0.01461027 0.00575084 0.01402805
-4.62906562 -4.13066010 -13.69490081
-0.00060085 0.00093709 -0.00005433
-0.00084605 0.00330634 -0.00309705
-2.20998621 -2.42877505 -13.39815787
-0.00024999 -0.00061704 -0.00011546
0.01845612 -0.00038029 0.00586676
16.23612207 -7.49196904 -14.75285543
0.00079036 -0.00040244 0.00038801
0.00411162 0.00996818 0.01372440
17.24352854 -7.23383084 -11.87659991
-0.00013747 0.00072218 0.00019682
0.00781398 -0.00861259 0.01005148
9.11347237 -4.20745547 5.67447163
-0.00058920 0.00004010 0.00059955
-0.00432321 -0.00589225 -0.00122300
12.04372377 -3.94178007 5.62352182
-0.00148422 0.00078629 -0.00033847
-0.02597725 -0.01632011 0.02195541
-20.97271378 -0.32064607 24.96146688
0.00032106 0.00072565 0.00117642
-0.00076625 0.02058245 0.00275166
-20.22815580 2.71431740 25.15090007
-0.00100375 0.00038342 -0.00003395
-0.00466116 -0.02118011 0.00669871
24.91847093 -2.29823521 -6.95177257
0.00082811 0.00058377 -0.00032279
-0.00596979 0.01050977 -0.01178525
23.97998237 -0.59175922 -9.18853870
-0.00007788 0.00017513 -0.00012623
0.00283057 0.00275217 -0.03268613
12.32183145 -9.79247651 -9.43181562
-0.00071574 0.00128914 -0.00009344
-0.00777408 0.00003938 -0.00267892
12.63770451 -8.59851350 -12.01427633
0.00005224 -0.00074240 0.00030999
0.00137880 0.00126689 -0.00776086
-8.75959560 -9.49999183 18.31958272
0.00113930 -0.00109509 -0.00027487
-0.00351338 -0.00024937 0.00645740
-11.53934583 -9.25149589 17.08876392
0.00078483 0.00014372 0.00110342
0.03363043 -0.01302559 0.01166245
8.68237430 0.33855683 -29.82001413
0.00025494 0.00072106 0.00062941
-0.00630475 0.00869157 -0.00884073
5.60397429 0.14200765 -29.34232447
0.00047129 -0.00090370 -0.00044799
0.02094278 0.00498825 -0.00182654
12.61152574 19.59138107 12.47346224
0.00005729 0.00004790 0.00051405
-0.00288098 0.03614698 0.01426894
12.99982367 17.72403048 10.52402265
-0.00138699 0.00031009 0.00058570
0.00137963 -0.00962746 -0.00749105
27.77823453 7.67351075 -11.57233355
-0.00007918 -0.00017669 0.00006807
0.02310435 0.00127390 -0.00491758
25.85878806 7.28505365 -9.35237619
0.00091566 0.00080089 0.00045594
0.00969859 0.00969067 -0.00285657
-6.94559983 4.50137343 6.61809626
0.00024123 -0.00013159 -0.00015177
-0.00335570 0.00031941 -0.00563980
-8.80367592 8.64862196 3.87746594
0.00017754 -0.00015395 -0.00001255
-0.00352833 -0.00299071 -0.00172752
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08070836
0.31970084
425.98534694
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.4226384349 (a.u.)
total exchange computation time: 3.0077550411 s
-154.1195664124
-931.40066677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.779 s
total exchange = -52.4217509482 (a.u.)
total exchange computation time: 3.0090289116 s
-154.1274265469
Anderson extrapolation: theta=1.3682259271 (1.3682259271)
-931.40094486
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.780 s
total exchange = -52.4204252481 (a.u.)
total exchange computation time: 3.0085730553 s
-154.1387697300
Anderson extrapolation: theta=0.0604711531 (0.0604711531)
-931.40111723
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.780 s
total exchange = -52.4202599681 (a.u.)
total exchange computation time: 3.0089070797 s
-154.1399709355
Anderson extrapolation: theta=2.1208383519 (2.0000000000)
-931.40112572
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.4199091247 (a.u.)
total exchange computation time: 3.0104019642 s
-154.1424484419
Anderson extrapolation: theta=0.2933401361 (0.2933401361)
-931.40113627
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.780 s
total exchange = -52.4198085767 (a.u.)
total exchange computation time: 3.0102519989 s
-154.1430998107
Anderson extrapolation: theta=1.4172372040 (1.4172372040)
-931.40113885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.4196942679 (a.u.)
total exchange computation time: 3.0114240646 s
-154.1437754817
Anderson extrapolation: theta=0.3622070494 (0.3622070494)
-931.40114161
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.778 s
total exchange = -52.4196823030 (a.u.)
total exchange computation time: 3.0083918571 s
-154.1437749288
Anderson extrapolation: theta=1.0408632529 (1.0408632529)
-931.40114251
30.836448 21.684432 -250.901082
544.649609 1081.145424 -416.442964
575.486057 1102.829856 -667.344045
1411.653629
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.778 s
total exchange = -52.4196929860 (a.u.)
total exchange computation time: 3.0103061199 s
679.59220451
-1085.24303615
89.71290397
-388.10326037
-174.94026220
79.09056069
551.60419304
0.00000000
-931.40114322
3.45490572 -31.04865244 -3.84636070
-0.00016323 0.00043427 -0.00009576
0.01707424 0.00059477 -0.02603524
-11.22389234 2.07560793 -9.41399295
-0.00015955 -0.00029958 -0.00021325
-0.00535414 -0.02488787 0.02297708
-36.78785473 2.06745213 4.03330790
0.00041327 0.00022787 0.00007890
0.03965979 0.03371042 -0.02397831
-7.76338799 -3.70045747 2.80641075
-0.00013393 -0.00025990 -0.00027262
0.01083319 -0.01273788 0.00794758
2.44090502 0.00833925 9.62845099
0.00030196 -0.00009608 -0.00016892
0.00787946 -0.02160822 -0.02696855
-31.35113969 1.38629838 3.51392363
-0.00002255 -0.00016246 0.00011421
0.03136552 -0.03644911 0.00778478
16.59116590 13.22741645 -17.65236125
0.00025020 0.00012649 0.00006739
0.03465891 0.02545228 0.01999675
-3.40825751 4.83524213 3.84073947
-0.00011805 -0.00013185 -0.00039884
0.00562595 -0.01792714 0.01845052
4.84532471 17.33507333 -6.75329698
0.00007896 -0.00008621 -0.00042736
-0.01154915 -0.00164968 0.00854575
8.33460799 7.59514608 -21.33547398
-0.00005235 0.00032443 -0.00029069
-0.02893025 0.00525977 -0.00266443
20.15710386 18.88042503 -5.30370909
0.00045126 0.00011909 0.00007847
-0.00071202 -0.05321206 -0.01820593
1.98454944 14.59542406 -21.37749029
-0.00020330 -0.00019298 0.00009140
-0.02096100 -0.00089771 0.00348208
10.60818866 -5.50443116 0.02286726
0.00028021 0.00010072 0.00003874
0.00079648 -0.00254446 0.00393765
-16.44495197 -5.62897233 4.73591243
0.00005884 -0.00015487 -0.00005340
0.03262882 0.00494680 0.00549041
-14.20187466 -1.43860002 20.71785259
-0.00000308 0.00023321 -0.00015371
0.00535270 -0.02453536 0.05226192
0.49758419 3.66488219 -4.84889172
-0.00043667 -0.00000699 0.00002055
0.00424906 -0.01608465 0.01757083
20.63868142 -9.58008598 -4.40229250
-0.00037834 0.00006802 -0.00051843
0.03604847 0.02565947 -0.03731758
2.73763066 -10.86246844 6.76466883
-0.00019780 0.00006507 0.00011490
-0.07693519 0.03303620 -0.02490503
-1.95172733 -1.83946875 -19.32616302
-0.00035413 -0.00016213 0.00011797
-0.00953546 0.03447701 0.03383939
-0.64386451 5.39491318 -11.34622250
0.00005629 0.00043726 -0.00018094
-0.02800270 -0.01553041 0.02717798
-4.85993956 15.53898261 13.95954371
0.00007973 0.00018853 0.00065680
-0.02281585 -0.04350124 -0.02338003
-4.97775154 3.23297570 -8.13368999
0.00002289 0.00025726 -0.00017800
0.00599629 0.01858622 0.01391862
-8.46388399 -0.00188016 -4.22198381
0.00025824 -0.00012766 0.00034553
-0.03745447 -0.01071976 0.02861491
3.06109483 27.66106861 5.59711131
-0.00002811 -0.00015689 -0.00012343
-0.00908670 -0.02507006 0.04521686
8.57388490 -9.61159552 -2.09117418
-0.00034732 -0.00003178 0.00000743
-0.02978509 -0.02060238 0.00833330
-6.19035902 1.27191815 10.06300516
0.00020097 -0.00035527 -0.00005450
-0.01511627 0.00217429 -0.01907554
19.88517178 9.55581630 5.82643349
0.00010930 0.00001118 -0.00031477
-0.00264829 -0.00764868 -0.04218229
-3.40699533 0.52200940 -24.28774850
0.00001697 -0.00012849 0.00007845
0.05735301 0.01031347 0.06984920
-13.68961120 8.51559575 9.36844717
-0.00014127 0.00003915 -0.00011140
0.00081323 -0.01821359 0.02258924
-13.60000643 5.66742544 -3.98702638
0.00031279 -0.00023031 -0.00016263
0.01466425 -0.03033907 -0.00407405
-3.77478692 -15.06598219 21.32534765
0.00003552 0.00001899 0.00008432
-0.00169652 -0.00218557 -0.01712166
-6.44190072 8.65289121 -6.33078808
-0.00026020 0.00009575 0.00029720
0.00451615 0.00102118 -0.00402114
-19.70823769 30.56242717 1.39207158
0.00019607 0.00036515 0.00012471
0.00995089 -0.00394516 -0.03402335
10.19890723 3.80281996 8.05966219
-0.00010861 0.00035015 0.00001516
0.02742363 0.05666364 0.04980453
7.28585918 16.53187106 -11.62272764
-0.00017453 0.00003324 0.00026642
0.00527396 -0.02609378 0.01036723
14.09897921 4.27485092 -0.40991827
0.00015124 -0.00051690 0.00026308
0.00659528 -0.02456561 0.00154364
-5.92404413 11.85850462 -1.31316101
-0.00023951 0.00000382 -0.00007743
0.01792493 0.04236825 -0.03693129
8.44810057 11.09545918 4.94045400
0.00004910 -0.00056580 0.00010691
-0.02571574 0.05333309 -0.00183773
19.91674209 -11.19828511 -10.72718029
0.00013882 -0.00015298 -0.00020589
0.00424420 -0.02318170 0.04464789
19.28735456 -5.71310544 -0.08334655
0.00005980 0.00014152 0.00019080
0.00859096 0.01548651 -0.03228805
15.79916218 7.54190970 9.66499434
-0.00022588 -0.00008317 0.00006492
0.00933129 -0.01514045 -0.00184306
3.71900637 -14.63272367 16.60677335
-0.00009050 -0.00002056 0.00004259
0.02883183 -0.03372991 -0.01530838
-3.81898180 -2.45043258 -14.18496818
-0.00013928 0.00037266 -0.00042449
-0.00451383 0.01370254 -0.00948880
16.26554076 -6.40218897 -13.14971079
-0.00011998 -0.00009692 -0.00004973
-0.01923715 -0.02391196 -0.03587377
10.58416234 -4.58351936 6.70877199
0.00019106 -0.00015522 0.00037777
0.02835129 0.02218374 -0.02256641
-19.65034580 0.95368102 25.27099843
-0.00010809 0.00000397 0.00020865
0.00663971 0.00506548 -0.00380505
23.95034168 -0.74013407 -7.40464028
-0.00013084 -0.00002405 0.00005798
0.01286630 -0.01298989 0.02958215
11.54794026 -9.74153380 -11.11512802
0.00016759 0.00000166 0.00028468
0.00151394 -0.00448213 0.01442649
-9.77667806 -9.87918509 16.85449949
-0.00016283 0.00022372 0.00020568
-0.02123230 0.00793239 -0.02370277
7.31288208 -0.10063931 -28.66276565
-0.00010470 -0.00043233 -0.00006337
-0.00742025 -0.00544839 0.01163917
12.61385339 17.83752791 12.29435394
0.00011260 0.00018721 -0.00009329
0.00113192 -0.02016528 0.00461044
26.02589938 7.61930166 -11.16540990
0.00004535 0.00025400 -0.00000255
-0.03151426 -0.00538510 0.01991999
4.31593186 -29.76863045 -4.93446080
0.00073099 -0.00012720 -0.00037840
-0.01469094 -0.00925111 0.00992670
3.13719330 -30.36771250 -2.17743605
-0.00079972 0.00043528 0.00078545
-0.00363643 0.00630218 0.01622397
-9.60110344 2.64604455 -8.91874546
0.00063808 -0.00054152 0.00042925
0.01697292 0.00781941 0.01193405
-11.59556950 2.85508777 -10.98496528
0.00007398 0.00013085 0.00031717
-0.00967775 0.01161684 -0.03184192
-36.88773672 3.61710312 2.96262352
-0.00029232 0.00020657 0.00032559
0.00576298 -0.01774327 0.01824230
-38.47961104 1.59156942 4.12922487
0.00116012 0.00009979 0.00017371
-0.04605490 -0.01696217 0.00267016
-9.10031925 -4.80293589 2.18341087
-0.00027775 -0.00041805 0.00004591
-0.01664372 0.00603545 -0.01543626
-6.36950394 -4.89821137 2.65891359
0.00021392 -0.00002652 0.00046708
0.00165507 0.01027279 0.00605633
3.42866332 -1.23266289 8.60286232
-0.00036240 0.00068985 -0.00009457
-0.01401026 0.01991441 0.01783425
1.43056469 0.85280368 8.33523295
-0.00081264 0.00041659 -0.00016930
0.00641842 0.00069904 0.00780821
-30.50061353 -0.35319438 3.43820726
0.00063173 0.00043537 -0.00113190
-0.02214158 0.03022901 -0.00273492
-33.09062568 1.12146398 3.98704052
-0.00056139 -0.00014143 0.00086913
-0.00631110 -0.00004419 -0.00307214
15.34952262 12.23662508 -18.43293529
0.00062121 0.00063354 0.00127884
-0.03222034 -0.01963859 -0.01477104
17.94347476 11.95637739 -17.46075177
-0.00092394 -0.00058975 -0.00083522
0.00028360 0.00669206 -0.00008789
-2.35340699 5.98945674 4.78791824
-0.00015431 -0.00127041 -0.00073663
-0.00528291 0.00352267 -0.00136230
-3.49265021 5.57860639 2.20082819
0.00047197 -0.00015949 -0.00126977
-0.00140992 0.00800004 -0.01573351
5.92356031 17.55727320 -8.19666390
-0.00094546 0.00050755 0.00065954
0.00886447 -0.00891938 -0.02174514
5.70574980 18.30774056 -5.50299691
0.00097936 -0.00043875 0.00065185
0.00995544 0.00712236 0.01222995
8.87250809 6.53364984 -22.71730383
-0.00032500 0.00058494 -0.00022872
0.01424731 -0.00224694 -0.00208167
9.54101988 8.01871995 -20.02722916
0.00034586 0.00111687 0.00016052
0.01063017 -0.00716374 -0.00634356
19.49904192 20.25541827 -4.42263016
-0.00040837 -0.00024039 0.00015784
-0.00507664 0.03855946 0.01965975
21.48124106 19.41319651 -6.43374274
0.00132340 -0.00027145 -0.00010745
0.00027267 0.01419752 0.00451074
1.75311240 13.14155972 -20.24039637
0.00078142 0.00012887 0.00104442
0.00213157 0.01247154 -0.01206223
0.24023097 15.18951285 -21.87109765
-0.00020447 0.00082736 0.00000609
0.01763217 -0.00761752 0.01291747
9.78551972 -7.06773763 -0.55322557
-0.00020134 -0.00065543 -0.00042850
0.00251944 0.00400387 0.00126142
9.44387668 -4.11468349 -0.30896887
0.00027399 0.00091492 0.00002591
0.00304921 -0.00238262 -0.00058019
-17.02313911 -6.41770635 6.24101091
0.00030194 0.00044444 0.00016439
-0.01066609 -0.00453614 0.01214512
-17.82338899 -5.33485196 3.65110060
0.00040162 -0.00017267 -0.00113129
-0.02212267 -0.00253855 -0.01538676
-14.17811593 -0.96643334 19.05016794
0.00005737 -0.00012550 -0.00000685
-0.00475637 0.02158249 -0.05819109
-15.21844041 -0.28461882 21.64837921
-0.00039049 -0.00008740 0.00055626
-0.00618099 0.00819720 0.00573730
-0.26970845 2.78470949 -3.39874982
-0.00022179 -0.00018148 -0.00093222
-0.00283690 0.01269025 -0.00983067
1.27630830 2.21028375 -5.67521915
-0.00005831 -0.00011164 0.00110069
-0.00256387 0.00274893 -0.00562177
20.25448255 -8.84134359 -6.07733999
-0.00036750 0.00021267 0.00021035
-0.01336034 -0.00918081 0.02091332
22.50504940 -9.02804725 -4.46886539
-0.00084566 -0.00004686 0.00024353
-0.02774132 -0.01832781 0.01680533
4.33615472 -11.27480334 6.37580971
-0.00019743 -0.00068639 -0.00041965
0.07532592 -0.02504414 -0.01693392
2.49535638 -11.04997882 8.48953340
0.00076428 0.00059383 -0.00040263
0.00014696 -0.00788221 0.04288323
-2.39613760 -3.37660388 -20.08596353
0.00132107 0.00024115 0.00067076
-0.00434972 -0.03213771 -0.02356585
-3.10404239 -1.80752320 -17.85471054
0.00003870 -0.00040810 0.00017258
0.01776674 0.00431261 -0.00688376
1.12122237 5.61081729 -11.14839195
-0.00136005 -0.00026925 0.00029843
0.02818990 0.00981077 -0.00742377
-1.07720654 4.62874033 -9.69060445
-0.00067876 0.00020535 0.00064718
-0.00875027 0.00590061 -0.01973752
-4.03772840 16.94294845 14.59759323
-0.00034749 -0.00046598 -0.00017970
0.02218182 0.04110365 0.02476006
-6.53354937 16.09774485 13.42723012
0.00049931 0.00012491 0.00017179
0.00104552 0.00271310 0.00858304
-5.07746051 2.15707704 -6.69641475
0.00055745 0.00004696 0.00005185
-0.00034003 -0.00551179 0.00886664
-5.18625555 2.18034412 -9.63780175
0.00020343 0.00104543 0.00011784
-0.00464030 0.00055564 -0.00329484
-9.14025598 -1.72813496 -4.37499626
0.00041488 -0.00099175 -0.00016147
0.01164727 0.01235005 -0.00136770
-9.63522274 0.65279451 -2.85624384
-0.00007825 -0.00013917 0.00057888
0.02908629 -0.00302630 -0.02506321
2.50666174 28.95325763 4.54073574
0.00108956 -0.00079613 -0.00017513
-0.00625425 0.03133987 -0.03200365
1.93423812 27.85474320 7.07063598
-0.00016511 -0.00108078 -0.00032462
0.01741596 -0.00508709 -0.01245177
6.70617957 -9.49270356 -2.36010975
0.00045845 0.00027327 0.00178406
0.02546051 -0.00548336 0.00297823
8.83447372 -11.28961702 -1.25416067
-0.00088347 -0.00043008 -0.00096619
-0.00530725 0.01981258 -0.00857430
-5.22241072 -0.05889283 9.11872371
-0.00111143 0.00080365 -0.00062129
-0.01516276 -0.00614568 0.00157993
-8.03936559 1.17426330 9.92619283
0.00054710 0.00014122 -0.00008093
0.01933768 -0.00918387 -0.00222349
19.02439290 9.68647863 7.35756890
0.00019825 -0.00031469 -0.00041019
-0.01162534 -0.00177015 0.03936795
21.62333388 9.91627945 6.05530341
0.00134641 -0.00001360 0.00064305
0.02198285 0.01072288 0.00840991
-3.43855796 0.56033638 -22.32330058
-0.00053984 -0.00051120 -0.00021056
0.00741578 -0.00630641 -0.05199526
-5.06748664 0.28529741 -24.70592808
-0.00041245 -0.00005111 -0.00049131
-0.06627255 -0.00241880 -0.01653633
-12.72960198 9.64364503 10.44783596
0.00043431 0.00040524 -0.00094316
0.00375266 0.00207282 -0.00463945
-13.93036017 9.42150467 7.82305551
-0.00034811 0.00002142 -0.00041112
0.00181929 0.01385897 -0.02206902
-13.43134907 3.97991871 -4.84051181
0.00025118 0.00058079 0.00035023
-0.01143129 0.03556472 0.01277279
-15.20662604 6.44789415 -4.38623201
-0.00012537 -0.00085666 0.00091891
-0.00380051 -0.00516213 -0.01109960
-5.41959321 -15.92305534 20.99578520
-0.00027843 -0.00019636 0.00022479
0.01420961 -0.00260033 0.00338366
-2.88231669 -14.99970676 19.70431037
0.00029430 0.00080860 0.00006657
-0.01169945 -0.00152096 0.01058650
-6.45586258 6.87283844 -6.62465565
0.00041984 -0.00022130 -0.00024018
0.00227532 -0.01279036 -0.00328082
-8.18114225 9.12854206 -6.03801693
-0.00013165 -0.00006266 -0.00133833
-0.00063792 0.00596455 0.00232681
-21.08431919 30.67151350 0.17126019
-0.00051322 -0.00071918 0.00000078
0.00390467 -0.00101139 0.01058664
-18.23322659 30.11323737 0.30804664
-0.00107702 -0.00043741 -0.00011412
-0.01469695 0.00818061 0.02301494
8.95448405 3.08099140 7.05552665
-0.00055995 -0.00014793 -0.00026242
-0.03359820 -0.01591585 -0.03077899
9.55290391 5.58838328 8.58265004
-0.00030302 0.00000468 -0.00010524
0.01267049 -0.03349567 -0.01506962
8.44093437 17.69532578 -12.37479674
-0.00059636 -0.00036278 -0.00025655
0.00668218 0.01265692 -0.00803418
8.46717152 15.07086021 -11.48671588
-0.00089318 -0.00031926 -0.00003179
-0.01739397 0.01220263 0.00385899
13.23335833 5.71721236 0.18026280
0.00071331 0.00060768 0.00105236
-0.01201049 0.02534734 0.00614479
13.92394763 3.18441204 1.12903868
-0.00147489 0.00083993 0.00009749
0.00179410 0.00410937 -0.01439796
-4.74899369 12.36267080 -2.77504755
-0.00010250 0.00180602 -0.00058845
-0.02196035 -0.02140901 0.03303765
-5.43609630 10.15705855 -0.90845671
-0.00051407 -0.00016878 0.00021640
0.00754545 -0.01036056 0.00067109
7.90305587 12.92786023 4.61839577
0.00036444 0.00009418 -0.00047703
0.01408962 -0.04163099 0.00582348
10.24731655 11.05112267 4.57855236
0.00060969 -0.00083511 -0.00001774
0.00653017 -0.00423006 -0.00013609
19.28183588 -10.51643783 -9.05159982
0.00053289 0.00106839 -0.00044100
0.00989495 -0.01808900 -0.03759180
20.59877284 -12.96345626 -10.30814532
-0.00022810 0.00039251 -0.00010615
-0.01470968 0.03762406 -0.01120548
19.36063807 -5.01128251 -1.84965710
0.00086927 -0.00059928 -0.00020910
0.00084113 -0.01226231 0.02585170
18.32033293 -7.24416939 -0.22057226
0.00009426 0.00039680 -0.00010526
-0.01012701 -0.01466864 0.00081215
14.58746817 8.79652454 9.27566394
-0.00104954 -0.00047157 -0.00006954
-0.01235234 0.01556159 -0.00097654
16.58188506 7.98359250 11.24356774
-0.00010037 0.00044350 0.00018594
-0.00197871 0.00326282 0.00366785
2.85798207 -16.12470295 17.33723927
-0.00043812 0.00017131 -0.00089357
-0.01524019 0.02292076 -0.00079556
3.23638866 -12.95985888 16.99714769
-0.00026585 -0.00075737 -0.00031240
-0.01654711 0.01213995 0.01537843
-4.63810434 -4.11650245 -13.69581067
-0.00060489 0.00094920 -0.00006766
-0.00113190 0.00262102 -0.00342881
-2.21317053 -2.43804225 -13.39970997
-0.00017557 -0.00061807 -0.00009190
0.01797497 -0.00012334 0.00566323
16.24810346 -7.49770015 -14.74661478
0.00080643 -0.00036193 0.00044265
0.00375483 0.00985834 0.01302316
17.24170597 -7.22326206 -11.87333959
-0.00010393 0.00068564 0.00023958
0.00860264 -0.00927327 0.01088061
9.10450189 -4.20703452 5.68342734
-0.00060148 0.00001358 0.00059982
-0.00168915 -0.00709118 0.00135953
12.02066451 -3.93048578 5.61911752
-0.00158278 0.00072067 -0.00025071
-0.02227108 -0.01580108 0.02100627
-20.96792138 -0.30913065 24.97919746
0.00030878 0.00079957 0.00118476
-0.00524267 0.01560436 0.00133338
-20.24335484 2.71941973 25.15059611
-0.00101849 0.00028896 -0.00000551
-0.00255735 -0.02505952 0.00722404
24.93070959 -2.28915663 -6.95697552
0.00080399 0.00062480 -0.00036984
-0.00583587 0.00957636 -0.01124754
23.97890098 -0.58904792 -9.19143381
-0.00006662 0.00018631 -0.00025544
0.00267825 0.00272155 -0.03055983
12.31085717 -9.77313813 -9.43329924
-0.00074361 0.00128793 -0.00009446
-0.00587211 -0.00063419 0.00217766
12.63853039 -8.60961063 -12.00986435
0.00006294 -0.00073154 0.00027297
0.00385722 0.00404969 -0.01036042
-8.74261371 -9.51642586 18.31565748
0.00112385 -0.00109616 -0.00024863
-0.00405174 -0.00027423 0.00638863
-11.52654284 -9.24973916 17.10567258
0.00091235 0.00009414 0.00115204
0.02878932 -0.01124867 0.01213983
8.68600525 0.34963903 -29.81084394
0.00022810 0.00075575 0.00059362
-0.00683346 0.00829128 -0.00867519
5.61168538 0.12860506 -29.34910027
0.00055092 -0.00088175 -0.00045761
0.01803506 0.00575491 -0.00288374
12.61229677 19.59320728 12.48161023
0.00004559 0.00019509 0.00057208
-0.00284339 0.03590378 0.01413639
12.97906106 17.72838684 10.53257860
-0.00137841 0.00027011 0.00053945
0.00282116 -0.00994547 -0.01514924
27.77775486 7.67089940 -11.57146314
0.00001661 -0.00017100 0.00004680
0.02378497 0.00151491 -0.00549604
25.87282018 7.29736394 -9.34562470
0.00095374 0.00084041 0.00044010
0.00894257 0.00965638 -0.00489678
-6.94199035 4.49940044 6.61580459
0.00024002 -0.00013146 -0.00015379
-0.00342919 0.00038655 -0.00567733
-8.80101899 8.64630748 3.87727472
0.00017671 -0.00015465 -0.00001295
-0.00358690 -0.00298569 -0.00177943
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08103904
0.32010418
426.52276662
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4283118402 (a.u.)
total exchange computation time: 3.0088629723 s
-154.1406061847
-931.40173971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4274073541 (a.u.)
total exchange computation time: 3.0084428787 s
-154.1487124047
Anderson extrapolation: theta=1.3585895398 (1.3585895398)
-931.40201663
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4260917467 (a.u.)
total exchange computation time: 3.0076940060 s
-154.1601423837
Anderson extrapolation: theta=0.0571067241 (0.0571067241)
-931.40218536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4259483622 (a.u.)
total exchange computation time: 3.0107641220 s
-154.1611915820
Anderson extrapolation: theta=2.0428132854 (2.0000000000)
-931.40219271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.792 s
total exchange = -52.4256431896 (a.u.)
total exchange computation time: 3.0088019371 s
-154.1633480428
Anderson extrapolation: theta=0.2494850127 (0.2494850127)
-931.40220100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4255656039 (a.u.)
total exchange computation time: 3.0079588890 s
-154.1638320463
Anderson extrapolation: theta=1.6396185970 (1.6396185970)
-931.40220265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4254599528 (a.u.)
total exchange computation time: 3.0064308643 s
-154.1644190293
Anderson extrapolation: theta=0.2937896186 (0.2937896186)
-931.40220438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4254510210 (a.u.)
total exchange computation time: 3.0072078705 s
-154.1643920071
Anderson extrapolation: theta=1.1876065601 (1.1876065601)
-931.40220478
30.875656 21.723018 -250.880067
544.606566 1081.194051 -416.432092
575.482222 1102.917068 -667.312159
1411.705127
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0642441860
ExchangeOperator: pair fraction: ispin=0: 0.1633098972
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4254572003 (a.u.)
total exchange computation time: 3.0066020489 s
679.68207295
-1085.42710003
89.70169941
-387.97847391
-174.95494625
79.19092323
551.60419304
0.00000000
-931.40220503
3.45252310 -31.04213613 -3.84789746
-0.00015474 0.00043513 -0.00010775
0.01596054 0.00274200 -0.02061008
-11.22630625 2.07101825 -9.41710306
-0.00016048 -0.00031209 -0.00020032
0.00175791 -0.02377717 0.02731334
-36.78150277 2.07100019 4.03439893
0.00043477 0.00024539 0.00006659
0.04395654 0.03443771 -0.02388871
-7.76535518 -3.70440517 2.80235204
-0.00012838 -0.00026644 -0.00026853
0.01076067 -0.01267995 0.00798518
2.44546474 0.00681466 9.62581310
0.00030426 -0.00010538 -0.00018292
0.00108595 -0.01453945 -0.02747050
-31.35135691 1.38372089 3.51566687
-0.00000785 -0.00018078 0.00011847
0.02577819 -0.03478573 0.00878359
16.59505266 13.22941199 -17.65127327
0.00026909 0.00014090 0.00007840
0.03877333 0.03057757 0.02283226
-3.41000658 4.83319516 3.83482797
-0.00011628 -0.00014159 -0.00039175
0.00128070 -0.01993325 0.00913934
4.84646459 17.33377376 -6.75967447
0.00007243 -0.00008618 -0.00041924
-0.01384718 0.00178779 0.02305308
8.33371119 7.60003284 -21.33984456
-0.00006656 0.00032781 -0.00029063
-0.02635226 0.00788437 0.00289139
20.16387004 18.88200610 -5.30260234
0.00045148 0.00009209 0.00006864
0.00155169 -0.05178178 -0.02000776
1.98141916 14.59252583 -21.37610578
-0.00021402 -0.00019331 0.00009319
-0.02075368 -0.00035057 0.00344451
10.61239491 -5.50293025 0.02346355
0.00027931 0.00009887 0.00004010
-0.00429646 -0.00464448 0.00136534
-16.44394353 -5.63127623 4.73513267
0.00007517 -0.00015196 -0.00005148
0.03086022 0.00635561 0.00194021
-14.20190018 -1.43519653 20.71574851
-0.00000072 0.00022094 -0.00012598
0.00382636 -0.02319464 0.05558585
0.49105047 3.66471529 -4.84851572
-0.00043411 -0.00001460 0.00002874
0.00573619 -0.01352714 0.01428560
20.63314534 -9.57896678 -4.41021283
-0.00036028 0.00008059 -0.00053650
0.03418666 0.02322667 -0.03297433
2.73436694 -10.86136494 6.76629629
-0.00023563 0.00008188 0.00010028
-0.07018710 0.03230866 -0.03196126
-1.95707606 -1.84176767 -19.32426298
-0.00035821 -0.00014246 0.00013599
-0.00632394 0.04199111 0.03623590
-0.64312812 5.40141222 -11.34883178
0.00003844 0.00042825 -0.00016592
-0.04143532 -0.01953210 0.03122053
-4.85883157 15.54164279 13.96930558
0.00006724 0.00016415 0.00064408
-0.02577709 -0.05129546 -0.02610357
-4.97738511 3.23690629 -8.13630624
0.00002602 0.00026720 -0.00016939
0.00620596 0.02008420 0.01955909
-8.46015485 -0.00383644 -4.21669047
0.00023841 -0.00013417 0.00036026
-0.03966369 -0.01460455 0.02864845
3.06063809 27.65861852 5.59543435
-0.00003192 -0.00017130 -0.00009944
-0.00572334 -0.03097573 0.04804968
8.56856018 -9.61215170 -2.09103061
-0.00036119 -0.00004236 0.00001195
-0.02413998 -0.02054604 0.00924244
-6.18740278 1.26659754 10.06211407
0.00019290 -0.00035295 -0.00006345
-0.01625424 0.00682960 -0.01573584
19.88680111 9.55595450 5.82154924
0.00011085 0.00000779 -0.00033618
0.00865095 -0.00553942 -0.04108077
-3.40651961 0.52012182 -24.28630225
0.00004457 -0.00012349 0.00011342
0.04997121 0.00915018 0.06613423
-13.69172713 8.51611269 9.36686330
-0.00014080 0.00003029 -0.00010035
0.00101517 -0.01621051 0.02036577
-13.59525795 5.66385371 -3.98948152
0.00032024 -0.00024452 -0.00016399
0.01429407 -0.02490990 -0.00123022
-3.77426067 -15.06570584 21.32654633
0.00003436 0.00001770 0.00007538
-0.00282738 -0.00281254 -0.01762289
-6.44578629 8.65433141 -6.32634566
-0.00025703 0.00009522 0.00029486
0.00782752 -0.00310408 -0.00507410
-19.70525821 30.56788925 1.39381101
0.00019948 0.00036330 0.00010709
0.00328531 -0.00325768 -0.03450534
10.19738383 3.80829076 8.06008166
-0.00009579 0.00037807 0.00003951
0.02242947 0.05190445 0.04490308
7.28326157 16.53226902 -11.61869132
-0.00017248 0.00001971 0.00027182
0.00268609 -0.02653758 0.01062462
14.10127322 4.26700259 -0.40596607
0.00015345 -0.00052694 0.00026381
0.00199581 -0.01444414 0.00127854
-5.92756765 11.85872536 -1.31446490
-0.00022995 0.00002593 -0.00009693
0.01925525 0.04360316 -0.03891670
8.44873790 11.08717783 4.94205051
0.00003677 -0.00053776 0.00010555
-0.02222578 0.05572486 -0.00342767
19.91884078 -11.20066929 -10.73009648
0.00014065 -0.00016390 -0.00018319
0.00287302 -0.01927394 0.04364497
19.28828466 -5.71092296 -0.08060912
0.00006450 0.00014961 0.00017395
0.00971368 0.01597911 -0.03324243
15.79580993 7.54060374 9.66596101
-0.00022135 -0.00009032 0.00006427
0.00829936 -0.01265165 -0.00066185
3.71776004 -14.63316212 16.60735316
-0.00007499 -0.00003893 0.00003424
0.03149076 -0.03773287 -0.01717566
-3.82108844 -2.44478976 -14.19137214
-0.00014124 0.00037955 -0.00042924
-0.00311894 0.01307881 -0.00898809
16.26366692 -6.40373505 -13.15059512
-0.00012984 -0.00010893 -0.00006790
-0.01912538 -0.02278931 -0.03477099
10.58713758 -4.58576206 6.71435153
0.00020384 -0.00014376 0.00036591
0.02136414 0.02237554 -0.02354621
-19.65194154 0.95376013 25.27411352
-0.00010388 0.00000871 0.00020685
0.00974820 0.01337984 -0.00319094
23.94842876 -0.74054490 -7.40365648
-0.00012425 -0.00003048 0.00007219
0.01275465 -0.01203502 0.02568425
11.55045988 -9.74152612 -11.11080212
0.00016724 -0.00000119 0.00029139
-0.00284387 -0.00660451 0.01166602
-9.77920242 -9.87579872 16.85749330
-0.00017208 0.00022729 0.00019345
-0.01472837 0.00596290 -0.02384508
7.31128298 -0.10714524 -28.66367128
-0.00010742 -0.00043515 -0.00005721
-0.00318052 -0.00553119 0.01229436
12.61554675 17.84025834 12.29297244
0.00011285 0.00017734 -0.00008891
-0.00017500 -0.01822293 0.01239620
26.02645800 7.62309095 -11.16537136
0.00002935 0.00025119 0.00000820
-0.03069770 -0.00556579 0.02190677
4.32644649 -29.77082195 -4.93983266
0.00066903 -0.00016596 -0.00033518
-0.01563735 -0.00971922 0.01122932
3.12508611 -30.36099017 -2.16515719
-0.00081115 0.00045671 0.00083896
-0.00195800 0.00418560 0.00997093
-9.59101213 2.63816136 -8.91194105
0.00069341 -0.00051410 0.00047331
0.01011351 0.00560321 0.00963336
-11.59475630 2.85740642 -10.98118351
0.00003402 0.00018064 0.00018344
-0.00988637 0.01275739 -0.03361890
-36.89194489 3.61965796 2.96806644
-0.00026761 0.00013632 0.00039858
0.00633164 -0.01664292 0.01748239
-38.46362048 1.59254646 4.13191231
0.00096137 0.00002670 0.00018601
-0.05123782 -0.01881586 0.00335276
-9.10499552 -4.80902172 2.18362645
-0.00034339 -0.00039302 -0.00001682
-0.01548817 0.00621932 -0.01526731
-6.36624450 -4.89829438 2.66610541
0.00021893 0.00001561 0.00049124
0.00079877 0.01034949 0.00576689
3.42279800 -1.22170490 8.60199022
-0.00041306 0.00076284 -0.00002859
-0.01078621 0.01581663 0.01446587
1.41857180 0.85907398 8.33293276
-0.00077934 0.00041340 -0.00012908
0.00988299 -0.00226144 0.01187743
-30.49181602 -0.34573748 3.42114488
0.00054042 0.00055526 -0.00114158
-0.02255577 0.02845909 -0.00199993
-33.09923997 1.11934112 3.99998334
-0.00057556 -0.00014145 0.00085343
-0.00062485 0.00003625 -0.00461356
15.35785337 12.24552644 -18.41420525
0.00047394 0.00054511 0.00120998
-0.03986614 -0.02365022 -0.01893898
17.92962435 11.94773623 -17.47328280
-0.00091536 -0.00056492 -0.00083329
0.00391587 0.00546022 0.00103622
-2.35588349 5.97050856 4.77682697
-0.00016734 -0.00124657 -0.00073496
-0.00109473 0.00814534 0.00218314
-3.48561390 5.57645913 2.18129950
0.00046702 -0.00013185 -0.00132210
-0.00101321 0.00553262 -0.00988214
5.90964999 17.56461318 -8.18743710
-0.00089589 0.00047391 0.00055316
0.01540295 -0.00755153 -0.03032798
5.72074534 18.30137760 -5.49284435
0.00101146 -0.00041883 0.00068987
0.00575635 0.00262482 0.00638003
8.86806961 6.54235512 -22.72079847
-0.00026444 0.00057319 -0.00023979
0.01540153 -0.00350693 -0.00333571
9.54653355 8.03525347 -20.02501574
0.00038202 0.00108436 0.00012590
0.00706962 -0.00875000 -0.01060470
19.49276084 20.25299406 -4.41966005
-0.00042662 -0.00008513 0.00023562
-0.00385829 0.03744113 0.01841005
21.50110049 19.40955984 -6.43521624
0.00131645 -0.00021454 -0.00008229
-0.00367541 0.01366039 0.00780295
1.76489909 13.14387494 -20.22509972
0.00078779 0.00018204 0.00099262
0.00098393 0.01355776 -0.01329162
0.23770424 15.20168981 -21.87061050
-0.00013086 0.00079287 0.00006134
0.01840066 -0.00926262 0.01412729
9.78257685 -7.07744634 -0.55961447
-0.00018596 -0.00062794 -0.00041953
0.00500838 0.00944917 0.00312891
9.44807997 -4.10103265 -0.30859798
0.00029118 0.00089789 0.00002456
0.00536672 -0.00595310 -0.00008308
-17.01893692 -6.41117881 6.24384893
0.00025620 0.00042512 0.00021502
-0.01172324 -0.00492137 0.01263683
-17.81804252 -5.33751979 3.63365979
0.00031708 -0.00018514 -0.00118784
-0.01926390 -0.00356837 -0.01229536
-14.17740118 -0.96765455 19.04828203
0.00003707 -0.00003591 -0.00024619
-0.00517734 0.02227598 -0.05896550
-15.22448716 -0.28567868 21.65689887
-0.00041179 -0.00005805 0.00057465
-0.00424504 0.00617258 0.00326422
-0.27312226 2.78237609 -3.41303440
-0.00023926 -0.00013307 -0.00096212
-0.00571199 0.01101091 -0.00480676
1.27535514 2.20869332 -5.65888114
-0.00006616 -0.00010225 0.00107374
-0.00128044 0.00185043 -0.00756949
20.24856064 -8.83843486 -6.07354390
-0.00042337 0.00017848 0.00028801
-0.01398580 -0.00755481 0.01710258
22.49151445 -9.02931182 -4.46469752
-0.00095340 -0.00011986 0.00031097
-0.02499931 -0.01740348 0.01620639
4.33550148 -11.28586660 6.36899611
0.00009849 -0.00078642 -0.00048724
0.06952918 -0.02392368 -0.01615263
2.50682515 -11.04131298 8.48480796
0.00076309 0.00056065 -0.00021462
-0.00073301 -0.00835902 0.04915141
-2.37645477 -3.37397136 -20.07662426
0.00129911 0.00009550 0.00056804
-0.00640124 -0.03916163 -0.02671638
-3.10291740 -1.81351251 -17.85233278
0.00010878 -0.00039097 0.00014639
0.01653400 0.00407254 -0.00593473
1.10168550 5.60707914 -11.14414298
-0.00122007 -0.00022600 0.00027110
0.04032706 0.01136217 -0.00595566
-1.08765610 4.63200142 -9.68150163
-0.00071174 0.00023434 0.00055567
-0.00739265 0.00828828 -0.02505463
-4.04226099 16.93721833 14.59565653
-0.00024717 -0.00028273 -0.00007199
0.02692388 0.04859758 0.02796482
-6.52602764 16.09970159 13.43007005
0.00049972 0.00013654 0.00020549
-0.00084584 0.00298056 0.00790942
-5.06910923 2.15761257 -6.69536535
0.00055641 0.00002719 0.00008323
-0.00016506 -0.00416784 0.00649370
-5.18334629 2.19604258 -9.63613515
0.00018408 0.00104148 0.00009752
-0.00482925 -0.00248833 -0.00665075
-9.13367587 -1.74263279 -4.37746027
0.00046535 -0.00093111 -0.00016497
0.01305891 0.01733265 -0.00034289
-9.63550518 0.65061429 -2.84832871
0.00004220 -0.00015374 0.00047414
0.02987484 -0.00410716 -0.02620694
2.52281353 28.94227604 4.53712818
0.00105886 -0.00065769 -0.00031266
-0.00877492 0.03642675 -0.03532130
1.93229511 27.83837566 7.06538505
-0.00009603 -0.00109928 -0.00037440
0.01639984 -0.00397064 -0.01191175
6.71383652 -9.48877249 -2.33325756
0.00054896 0.00025319 0.00179262
0.01884541 -0.00435003 0.00121322
8.82105898 -11.29546111 -1.26891631
-0.00090267 -0.00035103 -0.00099908
-0.00408745 0.01888501 -0.00752580
-5.23954687 -0.04702642 9.10945281
-0.00116548 0.00077036 -0.00062010
-0.01129203 -0.01015084 -0.00099869
-8.03056647 1.17610014 9.92491077
0.00062015 0.00010388 -0.00009037
0.01641906 -0.00909465 -0.00239765
19.02701047 9.68170400 7.35262244
0.00014980 -0.00032181 -0.00024845
-0.01209305 -0.00171533 0.03980537
21.64420359 9.91640403 6.06520690
0.00141386 0.00002557 0.00067384
0.01103512 0.00845138 0.00666201
-3.44642828 0.55247506 -22.32805230
-0.00050914 -0.00053650 -0.00041909
0.00761253 -0.00607537 -0.05008146
-5.07570423 0.28445668 -24.71380447
-0.00066887 -0.00005893 -0.00055543
-0.05924640 -0.00140803 -0.01485226
-12.72297232 9.64978714 10.43354636
0.00044928 0.00041306 -0.00096129
0.00357550 0.00175620 -0.00423360
-13.93552608 9.42225064 7.81621247
-0.00034036 0.00007498 -0.00049714
0.00197507 0.01235953 -0.02004135
-13.42793161 3.98972042 -4.83486694
0.00020583 0.00071454 0.00039690
-0.01076809 0.02990724 0.01006988
-15.20862309 6.43488610 -4.37278841
-0.00014165 -0.00087685 0.00087316
-0.00416637 -0.00472391 -0.01129798
-5.42333426 -15.92608043 20.99926071
-0.00021629 -0.00020530 0.00023813
0.01620941 -0.00177570 0.00314515
-2.87826071 -14.98762443 19.70563332
0.00024452 0.00080164 0.00011126
-0.01266863 -0.00188312 0.01128919
-6.44949529 6.86912704 -6.62835881
0.00042846 -0.00026616 -0.00025236
0.00194560 -0.00917095 -0.00268496
-8.18313649 9.12778487 -6.05802057
-0.00014045 -0.00003748 -0.00132772
-0.00367060 0.00636121 0.00286602
-21.09189789 30.66069477 0.17159624
-0.00049224 -0.00072294 0.00004992
0.00636710 -0.00082842 0.01347172
-18.24983222 30.10692696 0.30704003
-0.00112844 -0.00040570 -0.00002491
-0.01047439 0.00734127 0.02065506
8.94505526 3.07828468 7.05064716
-0.00068592 -0.00020643 -0.00037913
-0.02806666 -0.01271998 -0.02635012
9.54874688 5.58742713 8.58060970
-0.00025199 -0.00012916 -0.00016584
0.01230642 -0.03202133 -0.01459337
8.43219375 17.69027186 -12.37889118
-0.00056592 -0.00030877 -0.00029085
0.00822015 0.01378249 -0.00875334
8.45324075 15.06644520 -11.48707449
-0.00096190 -0.00027072 -0.00001587
-0.01624089 0.01155679 0.00393393
13.24368990 5.72710425 0.19623646
0.00067246 0.00069947 0.00107044
-0.00798239 0.01958475 0.00270652
13.90187921 3.19713693 1.13005976
-0.00146595 0.00084816 0.00004601
0.00258149 -0.00008139 -0.01079824
-4.75120409 12.38910511 -2.78286198
-0.00019571 0.00171215 -0.00044672
-0.02366714 -0.02454130 0.03634058
-5.44357608 10.15420930 -0.90519017
-0.00048218 -0.00020734 0.00021616
0.00806255 -0.00851382 -0.00078920
7.90895429 12.92799724 4.61141872
0.00042288 -0.00008088 -0.00045176
0.01451350 -0.04406225 0.00654854
10.25666197 11.03846644 4.57828205
0.00062842 -0.00085222 -0.00001652
0.00264072 -0.00414518 0.00073343
19.29013245 -10.50096628 -9.05936675
0.00057347 0.00099292 -0.00059454
0.00996855 -0.01885333 -0.03756592
20.59490058 -12.95641568 -10.31008087
-0.00028558 0.00054016 -0.00014983
-0.01342898 0.03465382 -0.01017684
19.37370288 -5.02064753 -1.85200135
0.00087237 -0.00064804 -0.00010284
0.00067689 -0.01160462 0.02615966
18.32143645 -7.23866688 -0.22212621
0.00005162 0.00033446 -0.00010111
-0.01074601 -0.01584819 0.00121688
14.57134658 8.78992790 9.27459088
-0.00109547 -0.00041242 -0.00007175
-0.01013353 0.01339054 -0.00010639
16.58031895 7.99034493 11.24646917
-0.00011073 0.00045619 0.00019670
-0.00309401 0.00295117 0.00159968
2.85094328 -16.12143088 17.32381129
-0.00050207 0.00026144 -0.00089488
-0.01606465 0.02119456 0.00015449
3.23189388 -12.97084738 16.99293294
-0.00033700 -0.00069590 -0.00024727
-0.01828424 0.01794878 0.01650156
-4.64721244 -4.10218417 -13.69693067
-0.00061008 0.00095852 -0.00008231
-0.00140828 0.00194249 -0.00374054
-2.21525323 -2.44731701 -13.40091498
-0.00010465 -0.00061806 -0.00006989
0.01673718 0.00012524 0.00511332
16.26031497 -7.50282708 -14.73957599
0.00082107 -0.00032235 0.00049376
0.00341011 0.00951686 0.01199582
17.24041062 -7.21326160 -11.86941244
-0.00006796 0.00064713 0.00028482
0.00900666 -0.00957951 0.01126290
9.09542790 -4.20704817 5.69246637
-0.00060314 -0.00001784 0.00061046
0.00087826 -0.00828778 0.00384532
11.99624034 -3.92015988 5.61600061
-0.00166497 0.00065793 -0.00016798
-0.01796298 -0.01491312 0.01949144
-20.96345028 -0.29665891 24.99700976
0.00027744 0.00085222 0.00118737
-0.01009845 0.01016901 -0.00005714
-20.25871060 2.72298626 25.15073488
-0.00102493 0.00018020 0.00002499
-0.00059240 -0.02817925 0.00770292
24.94259058 -2.27949116 -6.96286779
0.00078062 0.00066163 -0.00041448
-0.00560074 0.00845040 -0.01060169
23.97798372 -0.58616982 -9.19620180
-0.00005582 0.00019730 -0.00037358
0.00260860 0.00265707 -0.02727027
12.29952302 -9.75383863 -9.43464941
-0.00076364 0.00128424 -0.00007536
-0.00392900 -0.00116974 0.00717211
12.63959267 -8.62045956 -12.00608732
0.00008350 -0.00070973 0.00022567
0.00620680 0.00662411 -0.01279046
-8.72588014 -9.53287670 18.31212377
0.00110581 -0.00109754 -0.00022341
-0.00477723 -0.00039895 0.00595600
-11.51197547 -9.24867183 17.12332524
0.00101803 0.00005254 0.00120289
0.02294298 -0.00911233 0.01274780
8.68921740 0.36122937 -29.80220542
0.00019894 0.00078867 0.00055888
-0.00744443 0.00782104 -0.00833366
5.62050176 0.11555518 -29.35605281
0.00061762 -0.00085667 -0.00047187
0.01461734 0.00652159 -0.00409601
12.61289354 19.59723390 12.49062459
0.00003409 0.00033805 0.00062893
-0.00278934 0.03407348 0.01369183
12.95847134 17.73213369 10.54020611
-0.00136436 0.00022912 0.00046248
0.00405504 -0.01011677 -0.02252511
27.77873288 7.66838090 -11.57092956
0.00011336 -0.00016435 0.00002350
0.02357446 0.00173878 -0.00591039
25.88740035 7.31026603 -9.33917331
0.00098860 0.00087968 0.00041645
0.00811834 0.00956417 -0.00667645
-6.93839928 4.49742953 6.61348243
0.00023878 -0.00013132 -0.00015583
-0.00347359 0.00044250 -0.00571537
-8.79837454 8.64398261 3.87707731
0.00017587 -0.00015533 -0.00001338
-0.00366540 -0.00295675 -0.00185722
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08104030
0.32116473
427.93589677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.796 s
total exchange = -52.4323340953 (a.u.)
total exchange computation time: 3.0398170948 s
-154.1519881919
-931.40316176
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4313655388 (a.u.)
total exchange computation time: 3.0384659767 s
-154.1606046312
Anderson extrapolation: theta=1.3521839592 (1.3521839592)
-931.40343674
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4299606312 (a.u.)
total exchange computation time: 3.0423531532 s
-154.1727481424
Anderson extrapolation: theta=0.0551181808 (0.0551181808)
-931.40360302
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.792 s
total exchange = -52.4298088030 (a.u.)
total exchange computation time: 3.0374498367 s
-154.1738729328
Anderson extrapolation: theta=1.9954005242 (1.9954005242)
-931.40361002
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4294865591 (a.u.)
total exchange computation time: 3.0378701687 s
-154.1761945152
Anderson extrapolation: theta=0.2287342090 (0.2287342090)
-931.40361790
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.796 s
total exchange = -52.4294108103 (a.u.)
total exchange computation time: 3.0388598442 s
-154.1766856830
Anderson extrapolation: theta=1.8230873164 (1.8230873164)
-931.40361949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4292965120 (a.u.)
total exchange computation time: 3.0383090973 s
-154.1773632017
Anderson extrapolation: theta=0.2719298440 (0.2719298440)
-931.40362143
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.792 s
total exchange = -52.4292895782 (a.u.)
total exchange computation time: 3.0392680168 s
-154.1773360740
Anderson extrapolation: theta=1.3073223702 (1.3073223702)
-931.40362188
30.912246 -22.616581 -250.869142
544.562707 1081.244872 -416.423100
575.474952 1058.628291 -667.292242
1377.368584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4292988674 (a.u.)
total exchange computation time: 3.0377318859 s
679.74518381
-1085.55327800
89.69259997
-387.89342509
-174.96540406
79.25905650
551.60419304
0.00000000
-931.40362224
3.45026362 -31.03559867 -3.84959323
-0.00014690 0.00043699 -0.00011688
0.01452612 0.00451470 -0.01487033
-11.22870660 2.06624515 -9.42000246
-0.00015781 -0.00032390 -0.00018545
0.00862441 -0.02213689 0.03051791
-36.77481170 2.07481393 4.03530567
0.00045793 0.00026297 0.00005449
0.04610438 0.03391550 -0.02317076
-7.76723936 -3.70845068 2.79835494
-0.00012297 -0.00027295 -0.00026444
0.01026035 -0.01264794 0.00791857
2.45003285 0.00517789 9.62296329
0.00030298 -0.00011095 -0.00019694
-0.00608164 -0.00711070 -0.02703511
-31.35137527 1.38087504 3.51747787
0.00000391 -0.00019806 0.00012327
0.01994619 -0.03241832 0.00987136
16.59923854 13.23164342 -17.65000915
0.00028976 0.00015771 0.00009064
0.04162150 0.03477633 0.02476133
-3.41174578 4.83099441 3.82898698
-0.00011675 -0.00015235 -0.00038951
-0.00313688 -0.02191960 -0.00042326
4.84749764 17.33248798 -6.76587412
0.00006479 -0.00008446 -0.00040378
-0.01588511 0.00487693 0.03707518
8.33261110 7.60498042 -21.34419283
-0.00007945 0.00033248 -0.00028783
-0.02377869 0.01026034 0.00797876
20.17064819 18.88318769 -5.30164993
0.00045270 0.00006618 0.00005816
0.00318662 -0.04895178 -0.02074485
1.97812877 14.58962490 -21.37469471
-0.00022451 -0.00019331 0.00009491
-0.02003743 0.00034086 0.00325869
10.61656802 -5.50146516 0.02407037
0.00027592 0.00009601 0.00004020
-0.00890464 -0.00648130 -0.00098115
-16.44269702 -5.63353111 4.73436788
0.00009037 -0.00014837 -0.00005141
0.02826332 0.00760986 -0.00165200
-14.20189617 -1.43197197 20.71407326
0.00000086 0.00020957 -0.00009725
0.00228779 -0.02100813 0.05613760
0.48456099 3.66444405 -4.84802951
-0.00043073 -0.00002083 0.00003515
0.00738776 -0.01069504 0.01065019
20.62787300 -9.57766838 -4.41838754
-0.00034332 0.00009177 -0.00055216
0.03176125 0.02027755 -0.02792932
2.73056174 -10.86001219 6.76767717
-0.00026920 0.00009798 0.00008230
-0.06036545 0.03033661 -0.03795773
-1.96247358 -1.84374265 -19.32208339
-0.00036070 -0.00011935 0.00015492
-0.00335560 0.04790305 0.03736974
-0.64271139 5.40776058 -11.35120020
0.00001395 0.00041733 -0.00014908
-0.05380193 -0.02291404 0.03429788
-4.85792245 15.54390724 13.97886607
0.00005357 0.00013630 0.00063022
-0.02737562 -0.05700831 -0.02779916
-4.97697080 3.24099182 -8.13877160
0.00002926 0.00027786 -0.00015785
0.00638397 0.02134851 0.02529886
-8.45673171 -0.00590538 -4.21117611
0.00021769 -0.00014258 0.00037484
-0.04089838 -0.01809698 0.02804909
3.06013719 27.65592947 5.59412807
-0.00003407 -0.00018835 -0.00007447
-0.00264576 -0.03530548 0.04904316
8.56304923 -9.61286638 -2.09081574
-0.00037195 -0.00005282 0.00001687
-0.01771304 -0.02013973 0.00991362
-6.18457193 1.26132963 10.06110158
0.00018436 -0.00034820 -0.00007062
-0.01696829 0.01162472 -0.01212288
19.88849719 9.55604997 5.81634806
0.00011787 0.00000548 -0.00035660
0.01864420 -0.00345246 -0.03833545
-3.40565837 0.51830483 -24.28434579
0.00006775 -0.00011917 0.00014598
0.04019696 0.00763582 0.06048465
-13.69383524 8.51650458 9.36543655
-0.00014025 0.00002259 -0.00009061
0.00111854 -0.01375280 0.01752083
-13.59039920 5.66008982 -3.99194615
0.00032737 -0.00025560 -0.00016378
0.01344518 -0.01819264 0.00207234
-3.77375623 -15.06545119 21.32760906
0.00003263 0.00001613 0.00006631
-0.00389805 -0.00328750 -0.01766653
-6.44961148 8.65574766 -6.32194238
-0.00025221 0.00009252 0.00029200
0.01091177 -0.00736595 -0.00605297
-19.70225338 30.57332618 1.39528424
0.00019940 0.00036185 0.00008944
-0.00357842 -0.00238131 -0.03413641
10.19603347 3.81416198 8.06084753
-0.00008573 0.00040320 0.00006110
0.01669975 0.04582623 0.03903923
7.28068467 16.53246225 -11.61457304
-0.00017174 0.00000618 0.00027728
0.00018721 -0.02604326 0.01061291
14.10358263 4.25904284 -0.40200401
0.00015333 -0.00053165 0.00026436
-0.00244380 -0.00389402 0.00087834
-5.93094263 11.85928247 -1.31606903
-0.00021983 0.00004847 -0.00011722
0.02010644 0.04405397 -0.03997826
8.44920377 11.07932638 4.94362059
0.00002633 -0.00050876 0.00010342
-0.01839716 0.05705204 -0.00485272
19.92096163 -11.20320217 -10.73267595
0.00014176 -0.00017266 -0.00016127
0.00144213 -0.01477990 0.04157085
19.28928969 -5.70861722 -0.07812815
0.00006969 0.00015774 0.00015676
0.01044755 0.01566340 -0.03357581
15.79252170 7.53920018 9.66692257
-0.00021746 -0.00009607 0.00006420
0.00681293 -0.00972598 0.00037488
3.71675665 -14.63389167 16.60780047
-0.00005816 -0.00005905 0.00002499
0.03396143 -0.04049520 -0.01878721
-3.82321913 -2.43904604 -14.19784545
-0.00014233 0.00038612 -0.00043365
-0.00111546 0.01245476 -0.00813775
16.26164553 -6.40545694 -13.15174771
-0.00013955 -0.00012039 -0.00008529
-0.01864414 -0.02175324 -0.03285344
10.59027763 -4.58783213 6.71974942
0.00021293 -0.00013231 0.00035374
0.01397807 0.02215584 -0.02381194
-19.65346208 0.95394247 25.27720399
-0.00009796 0.00001760 0.00020537
0.01324627 0.02116514 -0.00258966
23.94661424 -0.74104858 -7.40247454
-0.00011776 -0.00003632 0.00008408
0.01247421 -0.01065102 0.02054080
11.55295756 -9.74156939 -11.10638623
0.00016474 -0.00000508 0.00029662
-0.00690671 -0.00854905 0.00866717
-9.78184041 -9.87236635 16.86030314
-0.00017771 0.00022979 0.00018119
-0.00715169 0.00374961 -0.02384232
7.30965934 -0.11369384 -28.66448206
-0.00010783 -0.00043800 -0.00005072
0.00159156 -0.00555640 0.01296693
12.61723876 17.84284819 12.29168657
0.00011249 0.00016880 -0.00008062
-0.00122171 -0.01498685 0.01983332
26.02677980 7.62683731 -11.16516382
0.00001401 0.00024830 0.00001986
-0.02893259 -0.00567340 0.02343772
4.33600276 -29.77360911 -4.94451633
0.00060371 -0.00020593 -0.00028728
-0.01633663 -0.00985100 0.01222064
3.11285891 -30.35401131 -2.15226725
-0.00081560 0.00046946 0.00086688
-0.00022177 0.00205493 0.00369711
-9.58030100 2.63062156 -8.90454624
0.00072050 -0.00049564 0.00050772
0.00314516 0.00343185 0.00721358
-11.59454900 2.86050692 -10.97946212
-0.00000609 0.00023386 0.00004493
-0.00974744 0.01329637 -0.03418293
-36.89576502 3.62119281 2.97458079
-0.00024079 0.00007180 0.00046759
0.00679909 -0.01494082 0.01629840
-38.45077009 1.59237035 4.13480523
0.00074601 -0.00005266 0.00020074
-0.05418072 -0.02003001 0.00385854
-9.11062100 -4.81472639 2.18290636
-0.00040360 -0.00036689 -0.00007857
-0.01398295 0.00657080 -0.01495918
-6.36293610 -4.89774312 2.67365067
0.00022059 0.00005770 0.00051415
0.00001655 0.01025342 0.00545071
3.41627164 -1.20977756 8.60200467
-0.00044952 0.00081757 0.00002269
-0.00706309 0.01097063 0.01063426
1.40718460 0.86520568 8.33136049
-0.00073247 0.00039884 -0.00007329
0.01305651 -0.00486567 0.01543226
-30.48440088 -0.33653643 3.40395993
0.00044828 0.00066653 -0.00114834
-0.02254962 0.02600415 -0.00130956
-33.10789255 1.11722047 4.01264342
-0.00056682 -0.00014116 0.00083136
0.00490207 0.00010737 -0.00618770
15.36374088 12.25297837 -18.39663591
0.00029813 0.00044234 0.00112606
-0.04619595 -0.02665564 -0.02213914
17.91601392 11.93942970 -17.48575033
-0.00089205 -0.00054533 -0.00082689
0.00749680 0.00413023 0.00209562
-2.35842707 5.95205957 4.76586951
-0.00016300 -0.00120380 -0.00071862
0.00321943 0.01279274 0.00581553
-3.47863969 5.57465095 2.16116516
0.00046358 -0.00011437 -0.00135015
-0.00066716 0.00302520 -0.00384887
5.89668366 17.57149035 -8.18006899
-0.00082023 0.00044600 0.00041263
0.02163344 -0.00610685 -0.03846493
5.73609365 18.29517551 -5.48230078
0.00102648 -0.00041689 0.00070397
0.00159684 -0.00167510 0.00052348
8.86457503 6.55084548 -22.72449754
-0.00019953 0.00055670 -0.00025556
0.01637060 -0.00456577 -0.00438430
9.55248049 8.05125074 -20.02345224
0.00040395 0.00104549 0.00007440
0.00366598 -0.01027672 -0.01460481
19.48624329 20.25286448 -4.41556167
-0.00043854 0.00006272 0.00030668
-0.00197678 0.03492836 0.01637565
21.52073466 19.40676037 -6.43621152
0.00129412 -0.00015964 -0.00004422
-0.00725926 0.01321342 0.01083549
1.77674607 13.14702106 -20.21061766
0.00078944 0.00023889 0.00093643
-0.00017379 0.01426685 -0.01421326
0.23630523 15.21329909 -21.86925755
-0.00005507 0.00075211 0.00012114
0.01869844 -0.01069138 0.01514863
9.77994093 -7.08657594 -0.56581161
-0.00016091 -0.00057931 -0.00040327
0.00725539 0.01435521 0.00483212
9.45261216 -4.08774665 -0.30823218
0.00031734 0.00086685 0.00002510
0.00743916 -0.00924260 0.00034750
-17.01545321 -6.40495289 6.24746142
0.00020660 0.00040476 0.00026657
-0.01255714 -0.00504298 0.01259896
-17.81387667 -5.34040630 3.61546544
0.00024545 -0.00020204 -0.00123061
-0.01579650 -0.00470355 -0.00863927
-14.17700373 -0.96751055 19.04278235
0.00001490 0.00005489 -0.00048285
-0.00567451 0.02217185 -0.05688229
-15.23079406 -0.28636024 21.66561858
-0.00042499 -0.00003710 0.00058272
-0.00221883 0.00408289 0.00068665
-0.27688614 2.78071750 -3.42761356
-0.00026886 -0.00009209 -0.00097088
-0.00877768 0.00904719 0.00052022
1.27432350 2.20721630 -5.64300703
-0.00006878 -0.00009648 0.00103901
-0.00000434 0.00097477 -0.00942801
20.24178160 -8.83598914 -6.06869966
-0.00048201 0.00015155 0.00034891
-0.01472334 -0.00562635 0.01270797
22.47644737 -9.03164298 -4.45953642
-0.00104871 -0.00018857 0.00037576
-0.02165394 -0.01623147 0.01551138
4.33910942 -11.29839604 6.36119257
0.00036349 -0.00087980 -0.00054954
0.06018769 -0.02178404 -0.01434652
2.51824899 -11.03315943 8.48309483
0.00075919 0.00052597 -0.00000526
-0.00117628 -0.00861398 0.05333097
-2.35716425 -3.37373891 -20.06892233
0.00126999 -0.00007554 0.00045428
-0.00785640 -0.04456366 -0.02897173
-3.10077910 -1.81925223 -17.85031874
0.00017312 -0.00037493 0.00012494
0.01496067 0.00377769 -0.00456695
1.08462013 5.60403733 -11.14025901
-0.00103246 -0.00017685 0.00024985
0.05151219 0.01269499 -0.00444634
-1.09855873 4.63577047 -9.67393431
-0.00073937 0.00027226 0.00044424
-0.00613153 0.01027714 -0.02949279
-4.04514351 16.93446657 14.59543368
-0.00012995 -0.00007313 0.00004684
0.03045742 0.05400263 0.03020243
-6.51855775 16.10184101 13.43339471
0.00049221 0.00014935 0.00023632
-0.00282831 0.00328938 0.00718316
-5.06076808 2.15789266 -6.69391799
0.00055608 0.00001318 0.00010451
0.00000044 -0.00269076 0.00392500
-5.18073300 2.21158853 -9.63487614
0.00016400 0.00102529 0.00006364
-0.00500296 -0.00543842 -0.00993532
-9.12629543 -1.75606836 -4.37994530
0.00052094 -0.00085161 -0.00016435
0.01415018 0.02158626 0.00064319
-9.63395670 0.64818236 -2.84201971
0.00016458 -0.00017204 0.00036616
0.03003117 -0.00485137 -0.02664970
2.53842753 28.93352690 4.53135590
0.00101935 -0.00050189 -0.00046102
-0.01056670 0.03983775 -0.03730093
1.93135717 27.82176477 7.05940409
-0.00003200 -0.00111303 -0.00042096
0.01494177 -0.00275824 -0.01088140
6.72264843 -9.48510801 -2.30633101
0.00061063 0.00023802 0.00179408
0.01133952 -0.00307372 -0.00050126
8.80739373 -11.30014782 -1.28413317
-0.00091670 -0.00027675 -0.00102733
-0.00278013 0.01747402 -0.00629879
-5.25737506 -0.03578212 9.10012071
-0.00120328 0.00072028 -0.00063004
-0.00721400 -0.01436201 -0.00386795
-8.02076109 1.17737960 9.92348177
0.00068005 0.00006700 -0.00010047
0.01290093 -0.00895457 -0.00254767
19.02888690 9.67682425 7.35011550
0.00010122 -0.00032896 -0.00008813
-0.01168796 -0.00178429 0.03866952
21.66574960 9.91704656 6.07551868
0.00143750 0.00005573 0.00069732
0.00053627 0.00631196 0.00483178
-3.45383206 0.54424140 -22.33587331
-0.00047775 -0.00056082 -0.00061734
0.00775111 -0.00583039 -0.04696057
-5.08755279 0.28352964 -24.72259110
-0.00089169 -0.00006198 -0.00061127
-0.04982522 -0.00008514 -0.01248207
-12.71612354 9.65603688 10.41899730
0.00046343 0.00041951 -0.00097779
0.00334796 0.00140122 -0.00384326
-13.94057095 9.42375408 7.80814118
-0.00033175 0.00012165 -0.00057351
0.00224018 0.01048399 -0.01733968
-13.42517408 4.00135502 -4.82860492
0.00016360 0.00082270 0.00043135
-0.00990285 0.02303463 0.00679374
-15.21087548 6.42158855 -4.36003723
-0.00015885 -0.00089540 0.00082686
-0.00425576 -0.00435324 -0.01136523
-5.42608190 -15.92921434 21.00292898
-0.00014672 -0.00021118 0.00025039
0.01784515 -0.00110203 0.00285618
-2.87498114 -14.97565751 19.70764815
0.00019134 0.00079325 0.00015796
-0.01336468 -0.00222420 0.01157099
-6.44300877 6.86485359 -6.63222652
0.00043562 -0.00029574 -0.00026200
0.00155909 -0.00531001 -0.00203183
-8.18535569 9.12741753 -6.07784855
-0.00016108 -0.00001089 -0.00131519
-0.00642725 0.00665461 0.00326723
-21.09908637 30.64982527 0.17275791
-0.00046188 -0.00072578 0.00011018
0.00849615 -0.00055924 0.01602294
-18.26707979 30.10106646 0.30729929
-0.00116147 -0.00037797 0.00005361
-0.00569480 0.00623361 0.01778366
8.93390636 3.07479841 7.04415277
-0.00078729 -0.00025069 -0.00047624
-0.02155469 -0.00894258 -0.02118813
9.54534406 5.58450852 8.57767499
-0.00020297 -0.00025554 -0.00022404
0.01169030 -0.02984376 -0.01389899
8.42395690 17.68606262 -12.38352209
-0.00053008 -0.00025118 -0.00032750
0.00932227 0.01440694 -0.00918949
8.43831463 15.06273847 -11.48719202
-0.00102518 -0.00022570 0.00000040
-0.01473861 0.01048279 0.00403023
13.25353227 5.73819642 0.21237598
0.00064822 0.00076692 0.00107423
-0.00388572 0.01343388 -0.00085333
13.87996900 3.20985683 1.13041906
-0.00145421 0.00083916 0.00000980
0.00316531 -0.00432420 -0.00692750
-4.75486497 12.41403538 -2.78844923
-0.00029457 0.00160624 -0.00029339
-0.02472500 -0.02730289 0.03871445
-5.45056173 10.15083827 -0.90197200
-0.00044854 -0.00023752 0.00020993
0.00840270 -0.00626008 -0.00225835
7.91574219 12.92543384 4.60484302
0.00048234 -0.00026370 -0.00042385
0.01459620 -0.04542889 0.00711211
10.26616923 11.02555616 4.57805669
0.00063127 -0.00086902 -0.00001175
-0.00124605 -0.00407953 0.00160399
19.29903995 -10.48665018 -9.06943596
0.00061371 0.00091516 -0.00074621
0.00972936 -0.01921181 -0.03667845
20.59020531 -12.94725131 -10.31264012
-0.00033705 0.00067367 -0.00018881
-0.01176423 0.03069654 -0.00890738
19.38680918 -5.03072374 -1.85274237
0.00087485 -0.00069356 0.00000329
0.00053822 -0.01067652 0.02579283
18.32188139 -7.23413565 -0.22360558
0.00000714 0.00026847 -0.00009517
-0.01102466 -0.01645575 0.00169112
14.55460394 8.78415191 9.27351130
-0.00113144 -0.00036296 -0.00007014
-0.00746960 0.01081920 0.00089532
16.57856322 7.99727823 11.24946864
-0.00012563 0.00046753 0.00019904
-0.00420271 0.00259991 -0.00045072
2.84291994 -16.11685987 17.31039277
-0.00056954 0.00034387 -0.00089225
-0.01696152 0.01915908 0.00113606
3.22627852 -12.98073586 16.98972951
-0.00041463 -0.00061257 -0.00017816
-0.01971466 0.02284006 0.01733071
-4.65640684 -4.08774684 -13.69827991
-0.00061637 0.00096506 -0.00009819
-0.00167096 0.00126071 -0.00403276
-2.21631017 -2.45658409 -13.40180663
-0.00004009 -0.00061702 -0.00005078
0.01486642 0.00038447 0.00424105
16.27273548 -7.50737075 -14.73180203
0.00083434 -0.00028466 0.00054000
0.00308617 0.00893364 0.01064197
17.23966725 -7.20384823 -11.86479502
-0.00003115 0.00060809 0.00033065
0.00900904 -0.00952849 0.01117248
9.08640773 -4.20756974 5.70174107
-0.00059464 -0.00005408 0.00063090
0.00328092 -0.00944929 0.00616188
11.97071529 -3.91074794 5.61407825
-0.00172843 0.00059959 -0.00009261
-0.01309875 -0.01364344 0.01740049
-20.95959808 -0.28356394 25.01481855
0.00022582 0.00088208 0.00118447
-0.01517039 0.00444754 -0.00136288
-20.27410267 2.72482580 25.15134573
-0.00102368 0.00006036 0.00005732
0.00120211 -0.03048625 0.00812570
24.95412833 -2.26930779 -6.96940979
0.00075864 0.00069335 -0.00045621
-0.00516040 0.00707607 -0.00982560
23.97722634 -0.58312887 -9.20264109
-0.00004545 0.00020801 -0.00047583
0.00246872 0.00258658 -0.02278228
12.28794807 -9.73461081 -9.43556002
-0.00077579 0.00127868 -0.00003593
-0.00201838 -0.00155352 0.01212984
12.64103533 -8.63090254 -12.00309416
0.00011317 -0.00067807 0.00016901
0.00831734 0.00887459 -0.01494407
-8.70943934 -9.54935198 18.30895508
0.00108447 -0.00109957 -0.00020062
-0.00567034 -0.00059839 0.00520301
-11.49600202 -9.24816295 17.14175917
0.00109794 0.00002035 0.00125655
0.01617423 -0.00664362 0.01352089
8.69197330 0.37329903 -29.79407764
0.00016718 0.00081953 0.00052582
-0.00810115 0.00728567 -0.00784791
5.63021398 0.10290497 -29.36325637
0.00066952 -0.00082849 -0.00049133
0.01078644 0.00727071 -0.00542800
12.61331936 19.60334875 12.50047807
0.00002284 0.00047056 0.00068330
-0.00271709 0.03079105 0.01292218
12.93813014 17.73526051 10.54645315
-0.00134583 0.00018779 0.00035678
0.00501627 -0.01011720 -0.02922062
27.78115569 7.66596896 -11.57075820
0.00020745 -0.00015681 -0.00000116
0.02248094 0.00195213 -0.00616105
25.90247806 7.32375427 -9.33313109
0.00101996 0.00091846 0.00038614
0.00723629 0.00941775 -0.00816140
-6.93482686 4.49546099 6.61112959
0.00023754 -0.00013115 -0.00015789
-0.00348802 0.00049052 -0.00575233
-8.79574286 8.64164744 3.87687343
0.00017501 -0.00015601 -0.00001382
-0.00376376 -0.00289748 -0.00196262
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08075994
0.32286230
430.19782673
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4348646390 (a.u.)
total exchange computation time: 3.0402388573 s
-154.1570629881
-931.40543238
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4338359275 (a.u.)
total exchange computation time: 3.0392560959 s
-154.1659597185
Anderson extrapolation: theta=1.3532593752 (1.3532593752)
-931.40570637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4323303586 (a.u.)
total exchange computation time: 3.0385060310 s
-154.1785438894
Anderson extrapolation: theta=0.0553858396 (0.0553858396)
-931.40587158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.797 s
total exchange = -52.4321591240 (a.u.)
total exchange computation time: 3.0402779579 s
-154.1797306770
Anderson extrapolation: theta=1.9873638614 (1.9873638614)
-931.40587835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.797 s
total exchange = -52.4317954138 (a.u.)
total exchange computation time: 3.0398368835 s
-154.1821707599
Anderson extrapolation: theta=0.2241607950 (0.2241607950)
-931.40588569
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4317093550 (a.u.)
total exchange computation time: 3.0426609516 s
-154.1826813106
Anderson extrapolation: theta=1.7898987149 (1.7898987149)
-931.40588708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.797 s
total exchange = -52.4315786011 (a.u.)
total exchange computation time: 3.0390720367 s
-154.1833845100
Anderson extrapolation: theta=0.2649588900 (0.2649588900)
-931.40588870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.796 s
total exchange = -52.4315676929 (a.u.)
total exchange computation time: 3.0412151814 s
-154.1833688514
Anderson extrapolation: theta=1.3082978783 (1.3082978783)
-931.40588908
30.946078 -22.580709 -250.871076
544.518230 1081.297249 -416.416183
575.464308 1058.716540 -667.287259
1377.429551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640988372
ExchangeOperator: pair fraction: ispin=0: 0.1626176312
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4315714924 (a.u.)
total exchange computation time: 3.0411038399 s
679.78072678
-1085.61857429
89.68479248
-387.85001961
-174.97124325
79.29381428
551.60419304
0.00000000
-931.40588939
3.44811619 -31.02902638 -3.85140372
-0.00013985 0.00043965 -0.00012301
0.01287766 0.00583249 -0.00896938
-11.23104042 2.06130126 -9.42266641
-0.00015174 -0.00033474 -0.00016925
0.01494920 -0.02000590 0.03245042
-36.76776494 2.07888931 4.03603365
0.00048158 0.00027994 0.00004292
0.04586768 0.03205752 -0.02181791
-7.76904438 -3.71259377 2.79441892
-0.00011793 -0.00027945 -0.00026040
0.00935188 -0.01260630 0.00776714
2.45455403 0.00348627 9.61990491
0.00029802 -0.00011260 -0.00021038
-0.01317927 0.00066145 -0.02522957
-31.35123975 1.37777909 3.51936503
0.00001264 -0.00021394 0.00012864
0.01403288 -0.02933062 0.01101659
16.60374552 13.23414314 -17.64855400
0.00031148 0.00017633 0.00010359
0.04282705 0.03765941 0.02558089
-3.41350917 4.82862455 3.82314273
-0.00011947 -0.00016411 -0.00039214
-0.00742827 -0.02379184 -0.00981828
4.84840815 17.33123982 -6.77178774
0.00005622 -0.00008125 -0.00038142
-0.01741639 0.00762423 0.04985314
8.33132756 7.61000716 -21.34847954
-0.00009104 0.00033828 -0.00028259
-0.02126924 0.01229583 0.01242403
20.17745092 18.88399163 -5.30085757
0.00045451 0.00004202 0.00004755
0.00385121 -0.04502574 -0.02050091
1.97468380 14.58672660 -21.37325849
-0.00023451 -0.00019292 0.00009650
-0.01884963 0.00117756 0.00293740
10.62067243 -5.50005008 0.02466962
0.00027030 0.00009227 0.00003916
-0.01295289 -0.00804919 -0.00306239
-16.44123246 -5.63572728 4.73359034
0.00010408 -0.00014419 -0.00005314
0.02503914 0.00865228 -0.00508364
-14.20187451 -1.42890948 20.71283110
0.00000165 0.00019951 -0.00006893
0.00081272 -0.01812094 0.05398538
0.47812851 3.66409029 -4.84746114
-0.00042647 -0.00002557 0.00003963
0.00917684 -0.00771609 0.00676269
20.62284568 -9.57621355 -4.42677772
-0.00032777 0.00010131 -0.00056509
0.02873274 0.01680759 -0.02234976
2.72629084 -10.85842539 6.76876522
-0.00029718 0.00011281 0.00006166
-0.04842506 0.02729887 -0.04230468
-1.96789700 -1.84534808 -19.31961550
-0.00036174 -0.00009373 0.00017404
-0.00068911 0.05172388 0.03700015
-0.64270972 5.41393216 -11.35330403
-0.00001641 0.00040486 -0.00013086
-0.06426295 -0.02559653 0.03651555
-4.85722451 15.54573190 13.98821210
0.00003949 0.00010617 0.00061578
-0.02738407 -0.06015198 -0.02833254
-4.97650723 3.24524205 -8.14104179
0.00003258 0.00028909 -0.00014341
0.00652596 0.02234491 0.03087914
-8.45362409 -0.00811394 -4.20544537
0.00019659 -0.00015267 0.00038895
-0.04116430 -0.02114231 0.02683096
3.05961588 27.65296805 5.59320014
-0.00003474 -0.00020714 -0.00004953
0.00007245 -0.03775479 0.04795197
8.55740163 -9.61373643 -2.09052439
-0.00037924 -0.00006299 0.00002208
-0.01061119 -0.01939028 0.01031257
-6.18187199 1.25615140 10.05999556
0.00017557 -0.00034099 -0.00007588
-0.01719731 0.01641626 -0.00834035
19.89033710 9.55611880 5.81085113
0.00012961 0.00000421 -0.00037522
0.02700904 -0.00146490 -0.03404788
-3.40448703 0.51654675 -24.28192271
0.00008551 -0.00011568 0.00017518
0.02886628 0.00592723 0.05303828
-13.69593471 8.51679037 9.36414496
-0.00013967 0.00001624 -0.00008246
0.00115527 -0.01093658 0.01419667
-13.58543672 5.65618558 -3.99439480
0.00033395 -0.00026292 -0.00016174
0.01213479 -0.01023752 0.00582646
-3.77328187 -15.06522190 21.32853549
0.00003037 0.00001436 0.00005733
-0.00488515 -0.00360676 -0.01725286
-6.45335248 8.65710709 -6.31758580
-0.00024589 0.00008765 0.00028866
0.01364132 -0.01157238 -0.00692912
-19.69927616 30.57874475 1.39649412
0.00019578 0.00036090 0.00007219
-0.01050060 -0.00130633 -0.03292019
10.19481194 3.82038674 8.06191459
-0.00007869 0.00042492 0.00007951
0.01069007 0.03865182 0.03255736
7.27810922 16.53245456 -11.61037288
-0.00017226 -0.00000683 0.00028266
-0.00217524 -0.02457301 0.01029976
14.10587318 4.25105304 -0.39803517
0.00015102 -0.00053094 0.00026467
-0.00652854 0.00666500 0.00032307
-5.93416249 11.86017945 -1.31798157
-0.00020939 0.00007105 -0.00013783
0.02050205 0.04377016 -0.04017358
8.44952771 11.07191507 4.94515323
0.00001790 -0.00047934 0.00010061
-0.01436641 0.05734932 -0.00608123
19.92309362 -11.20584907 -10.73493472
0.00014212 -0.00017896 -0.00014071
-0.00005315 -0.00970590 0.03840942
19.29037533 -5.70619063 -0.07590621
0.00007514 0.00016550 0.00013957
0.01076023 0.01451535 -0.03329628
15.78928603 7.53772158 9.66788703
-0.00021444 -0.00010025 0.00006462
0.00496199 -0.00651495 0.00124985
3.71601526 -14.63493363 16.60810285
-0.00004014 -0.00008020 0.00001500
0.03612111 -0.04175739 -0.02006398
-3.82535843 -2.43320624 -14.20438153
-0.00014226 0.00039236 -0.00043754
0.00140351 0.01182185 -0.00700860
16.25948030 -6.40734665 -13.15315374
-0.00014893 -0.00013132 -0.00010149
-0.01779796 -0.02077740 -0.03013565
10.59352552 -4.58973128 6.72496361
0.00021815 -0.00012108 0.00034162
0.00633419 0.02149134 -0.02331148
-19.65488043 0.95428808 25.28027448
-0.00009020 0.00003029 0.00020417
0.01694152 0.02817582 -0.00205084
23.94489595 -0.74163443 -7.40113412
-0.00011145 -0.00004136 0.00009317
0.01204896 -0.00897325 0.01480517
11.55540196 -9.74167861 -11.10190347
0.00016026 -0.00000991 0.00030027
-0.01049536 -0.01021415 0.00552408
-9.78453357 -9.86890505 16.86292905
-0.00017920 0.00023109 0.00016895
0.00132953 0.00130965 -0.02377551
7.30804798 -0.12028530 -28.66519281
-0.00010570 -0.00044085 -0.00004388
0.00672166 -0.00552205 0.01363161
12.61892134 17.84532242 12.29055371
0.00011167 0.00016220 -0.00006871
-0.00196613 -0.01069899 0.02650077
26.02687839 7.63053990 -11.16477546
-0.00000018 0.00024537 0.00003219
-0.02627560 -0.00571245 0.02450128
4.34455782 -29.77699999 -4.94845103
0.00053608 -0.00024573 -0.00023601
-0.01676886 -0.00962942 0.01287611
3.10061813 -30.34690651 -2.13915072
-0.00081295 0.00047366 0.00086956
0.00151893 0.00000210 -0.00238543
-9.56939712 2.62329209 -8.89670934
0.00071949 -0.00048578 0.00053221
-0.00364003 0.00139524 0.00477399
-11.59493909 2.86442231 -10.97983566
-0.00004493 0.00028795 -0.00009331
-0.00926347 0.01318002 -0.03348615
-36.89916846 3.62181200 2.98209401
-0.00021229 0.00001543 0.00053092
0.00714750 -0.01265484 0.01470437
-38.44124023 1.59096667 4.13793463
0.00052375 -0.00013545 0.00021711
-0.05461823 -0.02049472 0.00415224
-9.11710345 -4.82002837 2.18126948
-0.00045703 -0.00033904 -0.00013881
-0.01217351 0.00705984 -0.01452918
-6.35962668 -4.89656346 2.68152998
0.00021925 0.00009903 0.00053573
-0.00067313 0.00997865 0.00511269
3.40931241 -1.19717788 8.60267086
-0.00046965 0.00085130 0.00005680
-0.00279077 0.00554393 0.00606488
1.39659758 0.87103919 8.33073400
-0.00067352 0.00037427 -0.00000404
0.01580171 -0.00716174 0.01846856
-30.47836771 -0.32574169 3.38669473
0.00035704 0.00076638 -0.00115243
-0.02210959 0.02287251 -0.00069204
-33.11624471 1.11510641 4.02492428
-0.00053619 -0.00014064 0.00080291
0.01009375 0.00014611 -0.00773909
15.36679722 12.25879668 -18.38042340
0.00010015 0.00033003 0.00103153
-0.05071743 -0.02832282 -0.02413421
17.90286294 11.93137630 -17.49808942
-0.00085443 -0.00053124 -0.00081634
0.01091873 0.00276967 0.00306625
-2.36077336 5.93439460 4.75526845
-0.00014117 -0.00114239 -0.00068761
0.00746618 0.01726809 0.00936459
-3.47170636 5.57302817 2.14079495
0.00046144 -0.00010699 -0.00135369
-0.00038422 0.00058712 0.00211721
5.88504317 17.57799326 -8.17505825
-0.00072056 0.00042394 0.00024084
0.02715216 -0.00469279 -0.04562839
5.75153984 18.28887076 -5.47172512
0.00102489 -0.00043180 0.00069458
-0.00237559 -0.00562296 -0.00511988
8.86208375 6.55905602 -22.72846531
-0.00013109 0.00053639 -0.00027507
0.01713001 -0.00537512 -0.00516403
9.55865211 8.06661819 -20.02278382
0.00041248 0.00100060 0.00000731
0.00050869 -0.01169917 -0.01823579
19.47960459 20.25487552 -4.41045968
-0.00044161 0.00019785 0.00036811
0.00047651 0.03122069 0.01369515
21.53992395 19.40477069 -6.43654274
0.00125771 -0.00010649 0.00000559
-0.01056287 0.01280244 0.01354627
1.78858240 13.15104155 -20.19700668
0.00078637 0.00029784 0.00087715
-0.00133309 0.01458937 -0.01480508
0.23605217 15.22425313 -21.86697620
0.00002099 0.00070597 0.00018473
0.01853311 -0.01189280 0.01597736
9.77774966 -7.09482577 -0.57171261
-0.00012723 -0.00051187 -0.00038044
0.00922725 0.01865749 0.00634642
9.45760027 -4.07502710 -0.30784509
0.00035137 0.00082308 0.00002723
0.00921762 -0.01218191 0.00069910
-17.01273907 -6.39903603 6.25184605
0.00015408 0.00038445 0.00031683
-0.01315073 -0.00489817 0.01200480
-17.81067892 -5.34358108 3.59674163
0.00018880 -0.00022368 -0.00125762
-0.01193609 -0.00588863 -0.00458566
-14.17695405 -0.96600771 19.03379657
-0.00000944 0.00014375 -0.00070550
-0.00623993 0.02132109 -0.05210555
-15.23723695 -0.28679158 21.67438038
-0.00042991 -0.00002463 0.00058023
-0.00018794 0.00202154 -0.00190431
-0.28118797 2.77961339 -3.44216084
-0.00031121 -0.00005957 -0.00095757
-0.01195681 0.00687050 0.00599387
1.27329160 2.20579901 -5.62771073
-0.00006627 -0.00009416 0.00099695
0.00123532 0.00015804 -0.01116426
20.23410022 -8.83388823 -6.06307660
-0.00054381 0.00013308 0.00039085
-0.01552408 -0.00341753 0.00782395
22.46005322 -9.03496891 -4.45342469
-0.00112906 -0.00025199 0.00043754
-0.01767887 -0.01481495 0.01473045
4.34640604 -11.31226055 6.35250979
0.00058502 -0.00096271 -0.00060279
0.04825636 -0.01880179 -0.01171656
2.52960074 -11.02553379 8.48465014
0.00075436 0.00049073 0.00021610
-0.00118790 -0.00863684 0.05502747
-2.33835522 -3.37623760 -20.06299596
0.00123624 -0.00026430 0.00033356
-0.00866029 -0.04783483 -0.03012164
-3.09772392 -1.82476043 -17.84858458
0.00023040 -0.00036020 0.00010978
0.01308074 0.00343424 -0.00285299
1.07071174 5.60177355 -11.13664754
-0.00080280 -0.00012286 0.00023459
0.06090925 0.01373609 -0.00302011
-1.10983714 4.64016937 -9.66817450
-0.00076207 0.00031748 0.00031653
-0.00498350 0.01185565 -0.03301995
-4.04615942 16.93502442 14.59706182
-0.00000144 0.00015317 0.00017240
0.03244705 0.05677294 0.03126071
-6.51126120 16.10418201 13.43715961
0.00047653 0.00016347 0.00026411
-0.00485160 0.00362602 0.00642089
-5.05242690 2.15800785 -6.69223007
0.00055638 0.00000533 0.00011511
0.00014965 -0.00115180 0.00126484
-5.17842632 2.22680118 -9.63422604
0.00014326 0.00099745 0.00001678
-0.00514679 -0.00818867 -0.01299929
-9.11804778 -1.76818100 -4.38239091
0.00058030 -0.00075632 -0.00015983
0.01490906 0.02505881 0.00157385
-9.63056773 0.64545310 -2.83734397
0.00028630 -0.00019269 0.00025780
0.02955244 -0.00525788 -0.02639160
2.55339394 28.92721927 4.52329759
0.00097414 -0.00033616 -0.00061421
-0.01156027 0.04128991 -0.03768635
1.93133496 27.80498483 7.05275626
0.00002517 -0.00112165 -0.00046232
0.01304715 -0.00146409 -0.00936679
6.73215529 -9.48163191 -2.27943518
0.00064009 0.00022834 0.00178874
0.00308524 -0.00166447 -0.00211086
8.79355810 -11.30376360 -1.29973606
-0.00092524 -0.00020920 -0.00105024
-0.00140013 0.01559028 -0.00491747
-5.27564537 -0.02541802 9.09055156
-0.00122423 0.00065284 -0.00065210
-0.00303887 -0.01865210 -0.00693154
-8.01016506 1.17811027 9.92189664
0.00072446 0.00003082 -0.00011112
0.00883718 -0.00875855 -0.00266519
19.03004702 9.67183514 7.34997847
0.00005600 -0.00033661 0.00006442
-0.01044850 -0.00195891 0.03600423
21.68732847 9.91807593 6.08612658
0.00141992 0.00007755 0.00071328
-0.00914090 0.00436993 0.00297728
-3.46076080 0.53565042 -22.34657236
-0.00044595 -0.00058414 -0.00080025
0.00781673 -0.00558295 -0.04257547
-5.10245496 0.28259739 -24.73214271
-0.00107276 -0.00005924 -0.00065640
-0.03881086 0.00142474 -0.00960730
-12.70906956 9.66237249 10.40421271
0.00047654 0.00042443 -0.00099272
0.00307006 0.00100778 -0.00346719
-13.94547853 9.42590004 7.79900720
-0.00032188 0.00016006 -0.00063775
0.00259237 0.00832000 -0.01410746
-13.42302347 4.01440133 -4.82192653
0.00012530 0.00090035 0.00045127
-0.00884830 0.01497735 0.00295649
-15.21338870 6.40802420 -4.34798258
-0.00017587 -0.00091255 0.00078053
-0.00407493 -0.00404534 -0.01131502
-5.42773587 -15.93241579 21.00677228
-0.00007126 -0.00021463 0.00026135
0.01909324 -0.00058945 0.00251317
-2.87252065 -14.96382691 19.71037211
0.00013589 0.00078353 0.00020493
-0.01377825 -0.00253466 0.01142143
-6.43642670 6.86025470 -6.63621876
0.00044109 -0.00030940 -0.00026890
0.00111885 -0.00137361 -0.00134773
-8.18796879 9.12745803 -6.09747630
-0.00019214 0.00001663 -0.00130131
-0.00877931 0.00681811 0.00352744
-21.10575416 30.63892150 0.17490157
-0.00042362 -0.00072736 0.00018006
0.01022989 -0.00021553 0.01818395
-18.28467637 30.09558800 0.30864845
-0.00117401 -0.00035530 0.00011946
-0.00044205 0.00486352 0.01444648
8.92143646 3.07076409 7.03635985
-0.00086094 -0.00027883 -0.00055148
-0.01449745 -0.00483477 -0.01564284
9.54265770 5.57976090 8.57388846
-0.00015702 -0.00037153 -0.00027895
0.01080526 -0.02693169 -0.01298094
8.41629138 17.68273632 -12.38871619
-0.00049072 -0.00019216 -0.00036526
0.00994360 0.01448483 -0.00929603
8.42248524 15.05967419 -11.48706254
-0.00108166 -0.00018592 0.00001710
-0.01290705 0.00898962 0.00414418
13.26313648 5.75011190 0.22846322
0.00064045 0.00080910 0.00106351
0.00008412 0.00721202 -0.00439256
13.85825279 3.22231172 1.13035380
-0.00144052 0.00081293 -0.00001029
0.00354007 -0.00851553 -0.00290860
-4.76004114 12.43729236 -2.79166382
-0.00039651 0.00148986 -0.00013219
-0.02517760 -0.02966490 0.04019562
-5.45703241 10.14708358 -0.89889224
-0.00041384 -0.00025783 0.00019772
0.00858731 -0.00367973 -0.00371919
7.92342463 12.92008628 4.59870318
0.00054149 -0.00044998 -0.00039399
0.01435493 -0.04575614 0.00750751
10.27560013 11.01239586 4.57792963
0.00061850 -0.00088559 -0.00000347
-0.00500780 -0.00403048 0.00244796
19.30854374 -10.47351149 -9.08175304
0.00065234 0.00083682 -0.00089249
0.00918065 -0.01913472 -0.03492484
20.58478905 -12.93620566 -10.31574527
-0.00038092 0.00078892 -0.00022210
-0.00971102 0.02571962 -0.00738689
19.39994846 -5.04145428 -1.85190265
0.00087684 -0.00073477 0.00010654
0.00043514 -0.00949757 0.02475065
18.32165067 -7.23061292 -0.22498131
-0.00003774 0.00020122 -0.00008714
-0.01094305 -0.01646245 0.00223993
14.53740352 8.77903899 9.27248659
-0.00115585 -0.00032455 -0.00006426
-0.00448242 0.00798271 0.00198298
16.57654992 8.00437087 11.25244049
-0.00014498 0.00047738 0.00019319
-0.00526743 0.00222204 -0.00241674
2.83385710 -16.11111468 17.29704388
-0.00064080 0.00041743 -0.00088558
-0.01791971 0.01684964 0.00212844
3.21945492 -12.98922456 16.98758821
-0.00049727 -0.00051177 -0.00010638
-0.02073723 0.02650469 0.01780566
-4.66570365 -4.07323225 -13.69987630
-0.00062371 0.00096882 -0.00011521
-0.00191811 0.00057943 -0.00429942
-2.21645601 -2.46582762 -13.40243835
0.00001570 -0.00061488 -0.00003578
0.01244654 0.00066230 0.00310076
16.28534513 -7.51136692 -14.72337585
0.00084635 -0.00024985 0.00058006
0.00279307 0.00810675 0.00896414
17.23947602 -7.19501883 -11.85949289
0.00000484 0.00056997 0.00037515
0.00861001 -0.00913339 0.01060966
9.07758864 -4.20867042 5.71139340
-0.00057682 -0.00009493 0.00066035
0.00544076 -0.01054812 0.00825416
11.94438747 -3.90217216 5.61322231
-0.00177099 0.00054723 -0.00002696
-0.00773560 -0.01198686 0.01473528
-20.95667561 -0.27019640 25.03254383
0.00015345 0.00088841 0.00117650
-0.02025441 -0.00135220 -0.00253809
-20.28942107 2.72479694 25.15245458
-0.00101551 -0.00006717 0.00009124
0.00279794 -0.03193952 0.00847596
24.96534981 -2.25869076 -6.97655397
0.00073881 0.00071899 -0.00049461
-0.00454533 0.00547600 -0.00897489
23.97662026 -0.57992941 -9.21047662
-0.00003564 0.00021815 -0.00055893
0.00233358 0.00237314 -0.01789679
12.27624942 -9.71547821 -9.43572724
-0.00078036 0.00127187 0.00002327
-0.00022084 -0.00177928 0.01684879
12.64298774 -8.64080162 -12.00101687
0.00015075 -0.00063809 0.00010434
0.01007959 0.01069343 -0.01671374
-8.69334606 -9.56586395 18.30610526
0.00105920 -0.00110252 -0.00018144
-0.00670150 -0.00084513 0.00418441
-11.47903730 -9.24806124 17.16102175
0.00114859 -0.00000116 0.00131376
0.00861995 -0.00388905 0.01448368
8.69423272 0.38581521 -29.78643083
0.00013269 0.00084807 0.00049499
-0.00877930 0.00668796 -0.00724571
5.64058727 0.09070036 -29.37079260
0.00070512 -0.00079734 -0.00051642
0.00663978 0.00797929 -0.00685320
12.61357867 19.61135067 12.51112350
0.00001192 0.00058713 0.00073386
-0.00262849 0.02627149 0.01183091
12.91809637 17.73776729 10.55090936
-0.00132404 0.00014684 0.00022595
0.00565227 -0.00992529 -0.03481840
27.78495627 7.66367666 -11.57096443
0.00029537 -0.00014840 -0.00002653
0.02055916 0.00216336 -0.00625459
25.91799926 7.33781969 -9.32758906
0.00104763 0.00095653 0.00035043
0.00630694 0.00921869 -0.00931917
-6.93127317 4.49349509 6.60874587
0.00023629 -0.00013097 -0.00015995
-0.00347331 0.00053098 -0.00578648
-8.79312427 8.63930219 3.87666271
0.00017412 -0.00015668 -0.00001429
-0.00387426 -0.00281573 -0.00208674
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08077260
0.32511679
433.20182502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4352261330 (a.u.)
total exchange computation time: 3.0006659031 s
-154.1559154145
-931.40805543
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4342137524 (a.u.)
total exchange computation time: 3.0028851032 s
-154.1647504704
Anderson extrapolation: theta=1.3408351349 (1.3408351349)
-931.40832232
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4327485958 (a.u.)
total exchange computation time: 3.0033509731 s
-154.1771618300
Anderson extrapolation: theta=0.0512010544 (0.0512010544)
-931.40848081
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4325887703 (a.u.)
total exchange computation time: 3.0027790070 s
-154.1783134380
Anderson extrapolation: theta=1.9143535299 (1.9143535299)
-931.40848676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.796 s
total exchange = -52.4322570095 (a.u.)
total exchange computation time: 3.0028049946 s
-154.1806419285
Anderson extrapolation: theta=0.2209367029 (0.2209367029)
-931.40849300
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4321764945 (a.u.)
total exchange computation time: 3.0015439987 s
-154.1811548831
Anderson extrapolation: theta=1.8761020841 (1.8761020841)
-931.40849423
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.796 s
total exchange = -52.4320477165 (a.u.)
total exchange computation time: 3.0021650791 s
-154.1819149008
Anderson extrapolation: theta=0.2777489671 (0.2777489671)
-931.40849581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4320356311 (a.u.)
total exchange computation time: 3.0026640892 s
-154.1819221581
Anderson extrapolation: theta=1.2984069943 (1.2984069943)
-931.40849621
30.977851 -22.548524 -250.884290
544.473342 1081.350474 -416.411474
575.451193 1058.801950 -667.295763
1377.493840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0640261628
ExchangeOperator: pair fraction: ispin=0: 0.1620984316
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4320390080 (a.u.)
total exchange computation time: 3.0049290657 s
679.78836797
-1085.62381079
89.67922999
-387.84761671
-174.97262800
79.29541890
551.60419304
0.00000000
-931.40849656
3.44606812 -31.02240910 -3.85328340
-0.00013370 0.00044286 -0.00012610
0.01103839 0.00663527 -0.00306458
-11.23325891 2.05620304 -9.42508003
-0.00014262 -0.00034437 -0.00015240
0.02052390 -0.01744473 0.03307246
-36.76036433 2.08321201 4.03659332
0.00050449 0.00029560 0.00003221
0.04323539 0.02885752 -0.01983369
-7.77077726 -3.71683412 2.79054282
-0.00011346 -0.00028591 -0.00025647
0.00804426 -0.01252030 0.00753177
2.45897354 0.00179976 9.61665190
0.00028942 -0.00011024 -0.00022264
-0.02025690 0.00851688 -0.02246320
-31.35099597 1.37445687 3.52133718
0.00001835 -0.00022805 0.00013461
0.00817616 -0.02553238 0.01220038
16.60858290 13.23693339 -17.64690151
0.00033333 0.00019603 0.00011664
0.04214477 0.03893878 0.02517772
-3.41532987 4.82607115 3.81722273
-0.00012430 -0.00017677 -0.00039946
-0.01137119 -0.02543177 -0.01865058
4.84918429 17.33005049 -6.77731676
0.00004708 -0.00007671 -0.00035299
-0.01814942 0.01004578 0.06069931
8.32987994 7.61512876 -21.35267041
-0.00010136 0.00034502 -0.00027525
-0.01887643 0.01391545 0.01609854
20.18428336 18.88444822 -5.30022336
0.00045644 0.00002009 0.00003729
0.00368390 -0.04025401 -0.01940568
1.97109340 14.58383738 -21.37179961
-0.00024379 -0.00019206 0.00009789
-0.01722162 0.00214966 0.00246860
10.62467691 -5.49869709 0.02524525
0.00026275 0.00008779 0.00003713
-0.01639024 -0.00936452 -0.00485421
-16.43957474 -5.63785670 4.73277359
0.00011602 -0.00013953 -0.00005655
0.02139635 0.00944499 -0.00818375
-14.20184658 -1.42598679 20.71200541
0.00000172 0.00019106 -0.00004232
-0.00053812 -0.01473027 0.04946764
0.47176683 3.66367701 -4.84684060
-0.00042127 -0.00002877 0.00004208
0.01105316 -0.00471990 0.00277695
20.61804003 -9.57462905 -4.43534032
-0.00031391 0.00010895 -0.00057505
0.02513553 0.01289319 -0.01636504
2.72164636 -10.85662800 6.76952690
-0.00031873 0.00012586 0.00003932
-0.03538608 0.02344463 -0.04456252
-1.97332572 -1.84655447 -19.31686217
-0.00036149 -0.00006676 0.00019257
0.00165187 0.05315187 0.03504522
-0.64320383 5.41990627 -11.35512615
-0.00005146 0.00039119 -0.00011170
-0.07202208 -0.02753907 0.03800689
-4.85673784 15.54709249 13.99733955
0.00002584 0.00007517 0.00060139
-0.02568541 -0.06043555 -0.02763648
-4.97599332 3.24966467 -8.14307376
0.00003596 0.00030077 -0.00012619
0.00662225 0.02304897 0.03605699
-8.45083403 -0.01048560 -4.19950763
0.00017560 -0.00016421 0.00040228
-0.04046990 -0.02372107 0.02501880
3.05909514 27.64971537 5.59264215
-0.00003409 -0.00022667 -0.00002571
0.00242421 -0.03821174 0.04469363
8.55167216 -9.61475607 -2.09015348
-0.00038275 -0.00007268 0.00002740
-0.00304348 -0.01830877 0.01040592
-6.17930473 1.25109981 10.05882521
0.00016681 -0.00033136 -0.00007919
-0.01689560 0.02104490 -0.00453282
19.89238538 9.55617633 5.80509154
0.00014520 0.00000393 -0.00039128
0.03361539 0.00035663 -0.02842605
-3.40309300 0.51483440 -24.27909047
0.00009726 -0.00011309 0.00020012
0.01682225 0.00415805 0.04395829
-13.69802527 8.51699178 9.36296289
-0.00013908 0.00001140 -0.00007609
0.00114624 -0.00786819 0.01055274
-13.58038062 5.65220235 -3.99679849
0.00033975 -0.00026585 -0.00015767
0.01040818 -0.00116289 0.01000410
-3.77284519 -15.06502043 21.32932883
0.00002763 0.00001246 0.00004868
-0.00577323 -0.00376934 -0.01638629
-6.45698824 8.65837724 -6.31328268
-0.00023830 0.00008068 0.00028490
0.01589951 -0.01554816 -0.00768363
-19.69637995 30.58415324 1.39745003
0.00018863 0.00036055 0.00005578
-0.01732150 -0.00004598 -0.03089279
10.19367288 3.82690968 8.06323281
-0.00007470 0.00044273 0.00009451
0.00481714 0.03060312 0.02579060
7.27551699 16.53225730 -11.60609327
-0.00017393 -0.00001885 0.00028779
-0.00434522 -0.02214398 0.00966944
14.10811337 4.24311466 -0.39406384
0.00014674 -0.00052489 0.00026466
-0.01013002 0.01686199 -0.00035364
-5.93722418 11.86141410 -1.32020404
-0.00019885 0.00009332 -0.00015834
0.02045677 0.04283215 -0.03956269
8.44974081 11.06494619 4.94663895
0.00001157 -0.00045003 0.00009723
-0.01025566 0.05664361 -0.00708121
19.92522519 -11.20857084 -10.73689718
0.00014169 -0.00018250 -0.00012205
-0.00160981 -0.00408423 0.03415891
19.29154398 -5.70365207 -0.07394114
0.00008065 0.00017247 0.00012267
0.01064074 0.01257516 -0.03241719
15.78608865 7.53619273 9.66886113
-0.00021243 -0.00010274 0.00006544
0.00284402 -0.00316696 0.00195053
3.71555254 -14.63629773 16.60825043
-0.00002111 -0.00010157 0.00000445
0.03786606 -0.04134771 -0.02094304
-3.82748690 -2.42727524 -14.21097169
-0.00014079 0.00039827 -0.00044079
0.00430182 0.01116891 -0.00562771
16.25717777 -6.40939666 -13.15479227
-0.00015777 -0.00014177 -0.00011609
-0.01661319 -0.01985744 -0.02665224
10.59682227 -4.59146463 6.72999796
0.00021942 -0.00011032 0.00032996
-0.00142114 0.02037495 -0.02203291
-19.65616808 0.95485107 25.28332915
-0.00008054 0.00004631 0.00020323
0.02061367 0.03414839 -0.00159418
23.94327061 -0.74228951 -7.39967949
-0.00010540 -0.00004548 0.00009918
0.01149475 -0.00704235 0.00857281
11.55776539 -9.74186664 -11.09737809
0.00015411 -0.00001550 0.00030230
-0.01343863 -0.01151240 0.00236176
-9.78721648 -9.86543365 16.86537153
-0.00017617 0.00023109 0.00015673
0.01045945 -0.00130834 -0.02372819
7.30648848 -0.12691936 -28.66579839
-0.00010087 -0.00044367 -0.00003670
0.01205159 -0.00543422 0.01427617
12.62058876 17.84771411 12.28962530
0.00011055 0.00015799 -0.00005367
-0.00237883 -0.00566258 0.03199788
26.02677427 7.63419842 -11.16419809
-0.00001282 0.00024243 0.00004495
-0.02285045 -0.00570370 0.02510546
4.35208519 -29.78098103 -4.95159661
0.00046726 -0.00028390 -0.00018276
-0.01691921 -0.00905655 0.01319040
3.08847043 -30.33980159 -2.12618039
-0.00080326 0.00046977 0.00084811
0.00322646 -0.00190616 -0.00811340
-9.55871632 2.61604812 -8.88857986
0.00069162 -0.00048383 0.00054687
-0.01000366 -0.00043826 0.00240200
-11.59589690 2.86914545 -10.98226144
-0.00008114 0.00034022 -0.00022623
-0.00846044 0.01240630 -0.03158065
-36.90213385 3.62165563 2.99050840
-0.00018266 -0.00003049 0.00058697
0.00736111 -0.00982419 0.01273425
-38.43505771 1.58830696 4.14131850
0.00030485 -0.00021851 0.00023421
-0.05253116 -0.02016515 0.00421825
-9.12433196 -4.82489767 2.17874215
-0.00050253 -0.00030897 -0.00019711
-0.01009838 0.00766235 -0.01400944
-6.35635852 -4.89477225 2.68972262
0.00021529 0.00013889 0.00055589
-0.00126616 0.00953360 0.00475649
3.40218214 -1.18423843 8.60370874
-0.00047151 0.00086179 0.00007128
0.00188166 -0.00041023 0.00102176
1.38697899 0.87643377 8.33123938
-0.00060427 0.00034110 0.00007639
0.01809487 -0.00907514 0.02090091
-30.47368955 -0.31354518 3.36938711
0.00026850 0.00085208 -0.00115421
-0.02123150 0.01907932 -0.00018132
-33.12397826 1.11300130 4.03673084
-0.00048532 -0.00014006 0.00076827
0.01480894 0.00013654 -0.00922050
15.36674527 12.26287919 -18.36568997
-0.00011188 0.00021409 0.00093158
-0.05307012 -0.02843079 -0.02479221
17.89038114 11.92349264 -17.51024060
-0.00080337 -0.00052260 -0.00080205
0.01407288 0.00145560 0.00392815
-2.36266206 5.91778793 4.74524131
-0.00010257 -0.00106349 -0.00064265
0.01142554 0.02135216 0.01263954
-3.46479658 5.57144137 2.12055449
0.00046030 -0.00010925 -0.00133341
-0.00017030 -0.00169638 0.00780813
5.87506672 17.58420857 -8.17284389
-0.00060062 0.00040731 0.00004287
0.03156273 -0.00344811 -0.05127638
5.76684043 18.28222140 -5.46146325
0.00100770 -0.00046191 0.00066294
-0.00604259 -0.00911405 -0.01036857
8.86064229 6.56693714 -22.73274957
-0.00006002 0.00051336 -0.00029711
0.01766124 -0.00589788 -0.00562423
9.56485490 8.08126864 -20.02323300
0.00040875 0.00095018 -0.00007370
-0.00233668 -0.01298192 -0.02141902
19.47299510 20.25879996 -4.40451837
-0.00043374 0.00031597 0.00041761
0.00337584 0.02659928 0.01053734
21.55846587 19.40356563 -6.43604375
0.00120864 -0.00005488 0.00006567
-0.01345784 0.01246024 0.01586260
1.80033703 13.15595616 -20.18430305
0.00077857 0.00035732 0.00081615
-0.00248044 0.01453023 -0.01505600
0.23693493 15.23447832 -21.86371565
0.00009547 0.00065541 0.00025131
0.01792655 -0.01286017 0.01661587
9.77612389 -7.10193215 -0.57722466
-0.00008610 -0.00042815 -0.00035182
0.01090758 0.02232700 0.00765947
9.46315329 -4.06305412 -0.30741515
0.00039200 0.00076812 0.00003063
0.01067175 -0.01472333 0.00096472
-17.01083089 -6.39341936 6.25696641
0.00009963 0.00036525 0.00036353
-0.01349948 -0.00449924 0.01085498
-17.80821269 -5.34711675 3.57773678
0.00014828 -0.00025015 -0.00126763
-0.00789867 -0.00706643 -0.00031500
-14.17728679 -0.96319819 19.02161745
-0.00003619 0.00022783 -0.00090397
-0.00685608 0.01983934 -0.04504806
-15.24369136 -0.28709903 21.68302546
-0.00042668 -0.00002035 0.00056731
0.00176965 0.00006996 -0.00441979
-0.28622258 2.77893034 -3.45634078
-0.00036660 -0.00003618 -0.00092198
-0.01515423 0.00457873 0.01142757
1.27233540 2.20439142 -5.61309864
-0.00005884 -0.00009498 0.00094812
0.00240012 -0.00055857 -0.01273805
20.22546742 -8.83199678 -6.05697404
-0.00060896 0.00012409 0.00041212
-0.01637146 -0.00098193 0.00258635
22.44257559 -9.03920279 -4.44641018
-0.00119196 -0.00030915 0.00049598
-0.01310982 -0.01316540 0.01387559
4.35666010 -11.32727735 6.34310894
0.00075474 -0.00103222 -0.00064414
0.03481950 -0.01522309 -0.00852722
2.54087969 -11.01843748 8.48957788
0.00075025 0.00045584 0.00043894
-0.00082367 -0.00844108 0.05405570
-2.32007695 -3.38166791 -20.05891564
0.00120049 -0.00046141 0.00021067
-0.00884275 -0.04865063 -0.03003102
-3.09386707 -1.83005816 -17.84702528
0.00027946 -0.00034697 0.00010230
0.01093278 0.00304272 -0.00080974
1.06053625 5.60035160 -11.13322116
-0.00054001 -0.00006532 0.00022472
0.06772745 0.01442735 -0.00181463
-1.12142097 4.64529485 -9.66443835
-0.00078035 0.00036831 0.00017627
-0.00396143 0.01302660 -0.03563890
-4.04518676 16.93906167 14.60060581
0.00013171 0.00038485 0.00029973
0.03273052 0.05663679 0.03106672
-6.50426199 16.10674524 13.44131801
0.00045261 0.00017902 0.00028877
-0.00685300 0.00398207 0.00564822
-5.04407654 2.15805245 -6.69046464
0.00055725 0.00000375 0.00011488
0.00027640 0.00037904 -0.00138064
-5.17643507 2.24151198 -9.63437261
0.00012203 0.00095900 -0.00004182
-0.00524698 -0.01063012 -0.01568656
-9.10888641 -1.77875788 -4.38474006
0.00064209 -0.00064849 -0.00015163
0.01533781 0.02772559 0.00243751
-9.62536760 0.64240161 -2.83428567
0.00040479 -0.00021432 0.00015192
0.02844558 -0.00532776 -0.02543642
2.56765187 28.92344214 4.51292963
0.00092649 -0.00016872 -0.00076547
-0.01176900 0.04067279 -0.03635742
1.93211236 27.78811517 7.04553437
0.00007377 -0.00112489 -0.00049656
0.01073969 -0.00011846 -0.00739241
6.74185124 -9.47825782 -2.25266871
0.00063478 0.00022465 0.00177716
-0.00568631 -0.00014388 -0.00355781
8.77963667 -11.30642392 -1.31564032
-0.00092803 -0.00015027 -0.00106725
0.00003216 0.01325890 -0.00341088
-5.29410192 -0.01619703 9.08055760
-0.00122819 0.00056805 -0.00068681
0.00110041 -0.02285235 -0.01005646
-7.99902744 1.17830416 9.92014817
0.00075131 -0.00000444 -0.00012217
0.00430998 -0.00850053 -0.00274139
19.03056680 9.66672598 7.35204799
0.00001733 -0.00034513 0.00020329
-0.00848133 -0.00221394 0.03197567
21.70834713 9.91937312 6.09691695
0.00136496 0.00009191 0.00072170
-0.01775918 0.00265949 0.00114651
-3.46721049 0.52671728 -22.35988069
-0.00041405 -0.00060647 -0.00096256
0.00779499 -0.00535023 -0.03687909
-5.11973569 0.28175246 -24.74228311
-0.00120728 -0.00005021 -0.00068917
-0.02703598 0.00299653 -0.00643144
-12.70182744 9.66876987 10.38921562
0.00048841 0.00042767 -0.00100615
0.00274207 0.00057474 -0.00310481
-13.95022722 9.42855591 7.78900862
-0.00031045 0.00018924 -0.00068804
0.00300236 0.00596437 -0.01050991
-13.42141513 4.02836555 -4.81506696
0.00009164 0.00094290 0.00045447
-0.00762754 0.00585053 -0.00138915
-15.21615165 6.39421193 -4.33662138
-0.00019164 -0.00092856 0.00073461
-0.00364531 -0.00378842 -0.01116327
-5.42821970 -15.93565337 21.01076961
0.00000848 -0.00021634 0.00027081
0.01994213 -0.00024401 0.00211705
-2.87090457 -14.95215164 19.71379605
0.00007932 0.00077262 0.00025042
-0.01391111 -0.00280580 0.01084617
-6.42977605 6.85557164 -6.64029359
0.00044467 -0.00030713 -0.00027300
0.00063231 0.00248214 -0.00065978
-8.19111995 9.12791639 -6.11688786
-0.00023175 0.00004451 -0.00128664
-0.01061118 0.00682936 0.00365415
-21.11179500 30.62800451 0.17815966
-0.00037918 -0.00072742 0.00025790
0.01152621 0.00018434 0.01992088
-18.30230004 30.09040761 0.31088297
-0.00116437 -0.00033871 0.00017088
0.00516211 0.00325321 0.01072708
8.90807807 3.06643346 7.02760823
-0.00090549 -0.00029002 -0.00060396
-0.00730980 -0.00063982 -0.01004282
9.54063355 5.57336274 8.56930638
-0.00011526 -0.00047407 -0.00032966
0.00963508 -0.02326199 -0.01183874
8.40923527 17.68029774 -12.39448000
-0.00044983 -0.00013396 -0.00040274
0.01007458 0.01400415 -0.00905034
8.40586482 15.05716086 -11.48667908
-0.00113004 -0.00015305 0.00003429
-0.01077545 0.00709882 0.00427056
13.27274586 5.76246937 0.24428124
0.00064834 0.00082626 0.00103862
0.00377636 0.00118804 -0.00778874
13.83675353 3.23424473 1.13011028
-0.00142569 0.00076991 -0.00001397
0.00371503 -0.01254375 0.00111033
-4.76676036 12.45873129 -2.79241498
-0.00049915 0.00136469 0.00003332
-0.02506199 -0.03160612 0.04082146
-5.46297681 10.14310338 -0.89604041
-0.00037864 -0.00026712 0.00017960
0.00864152 -0.00086779 -0.00514969
7.93198683 12.91193449 4.59302345
0.00059902 -0.00063551 -0.00036287
0.01380792 -0.04506535 0.00772502
10.28472411 10.99898855 4.57795260
0.00059082 -0.00090199 0.00000815
-0.00854156 -0.00399862 0.00324161
19.31861017 -10.46154550 -9.09621053
0.00068810 0.00075974 -0.00102983
0.00832626 -0.01859597 -0.03230652
20.57877765 -12.92358376 -10.31930314
-0.00041563 0.00088175 -0.00024866
-0.00727642 0.01972158 -0.00561611
19.41311441 -5.05276689 -1.84954606
0.00087850 -0.00077071 0.00020420
0.00037846 -0.00809526 0.02305408
18.32074929 -7.22809912 -0.22621976
-0.00008156 0.00013515 -0.00007672
-0.01050700 -0.01587713 0.00286162
14.51992839 8.77441531 9.27158341
-0.00116767 -0.00029799 -0.00005386
-0.00130467 0.00501888 0.00310813
16.57421380 8.01159968 11.25526423
-0.00016852 0.00048566 0.00017959
-0.00625516 0.00183110 -0.00424058
2.82369602 -16.10433684 17.28382544
-0.00071606 0.00048111 -0.00087489
-0.01892107 0.01432206 0.00310557
3.21136042 -12.99608890 16.98653815
-0.00058307 -0.00039898 -0.00003347
-0.02126260 0.02870620 0.01788186
-4.67511801 -4.05868214 -13.70173619
-0.00063199 0.00096981 -0.00013325
-0.00213906 -0.00009475 -0.00452970
-2.21583904 -2.47503055 -13.40288004
0.00006076 -0.00061154 -0.00002588
0.00961033 0.00097221 0.00174743
16.29812595 -7.51486626 -14.71440030
0.00085725 -0.00021892 0.00061265
0.00254470 0.00703381 0.00698886
17.23981245 -7.18674918 -11.85354053
0.00003842 0.00053409 0.00041643
0.00782733 -0.00842754 0.00959726
9.06910299 -4.21041756 5.72155160
-0.00055081 -0.00014009 0.00069780
0.00729604 -0.01155989 0.01007565
11.91758556 -3.89433101 5.61326943
-0.00179081 0.00050241 0.00002666
-0.00196581 -0.00995337 0.01151062
-20.95499446 -0.25691173 25.05011355
0.00006081 0.00087139 0.00116411
-0.02509421 -0.00697604 -0.00352865
-20.30456799 2.72281064 25.15408288
-0.00100127 -0.00019886 0.00012643
0.00417406 -0.03252426 0.00875091
24.97629273 -2.24773812 -6.98424818
0.00072183 0.00073773 -0.00052938
-0.00376952 0.00369586 -0.00804355
23.97615719 -0.57658451 -9.21940897
-0.00002647 0.00022730 -0.00062112
0.00215241 0.00210772 -0.01254729
12.26453724 -9.69645465 -9.43486186
-0.00077799 0.00126445 0.00010082
0.00138225 -0.00185353 0.02111187
12.64555789 -8.65004535 -11.99996391
0.00019463 -0.00059175 0.00003342
0.01140026 0.01199156 -0.01800522
-8.67766349 -9.58242770 18.30351189
0.00102951 -0.00110652 -0.00016683
-0.00782886 -0.00111273 0.00296661
-11.46154430 -9.24819787 17.18117197
0.00116723 -0.00001101 0.00137531
0.00050317 -0.00092881 0.01564764
8.69595410 0.39874126 -29.77922808
0.00009547 0.00087407 0.00046679
-0.00944253 0.00603714 -0.00655774
5.65136748 0.07898478 -29.37874883
0.00072343 -0.00076340 -0.00054740
0.00232302 0.00863284 -0.00831468
12.61367688 19.62096267 12.52249401
0.00000139 0.00068331 0.00077937
-0.00252556 0.02080957 0.01044402
12.89840900 17.73966579 10.55323169
-0.00130036 0.00010710 0.00007529
0.00593648 -0.00952745 -0.03893005
27.79001684 7.66151694 -11.57155398
0.00037397 -0.00013912 -0.00005199
0.01791419 0.00237806 -0.00621172
25.93390698 7.35245009 -9.32261816
0.00107143 0.00099369 0.00031069
0.00534299 0.00897272 -0.01013519
-6.92773812 4.49153203 6.60633108
0.00023506 -0.00013077 -0.00016203
-0.00343010 0.00056696 -0.00581697
-8.79051918 8.63694713 3.87644474
0.00017321 -0.00015732 -0.00001479
-0.00399330 -0.00271050 -0.00222841
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08073504
0.32776151
436.72578604
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4348661160 (a.u.)
total exchange computation time: 3.0622510910 s
-154.1487267839
-931.41171760
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4338211250 (a.u.)
total exchange computation time: 3.0644409657 s
-154.1575855945
Anderson extrapolation: theta=1.3685573118 (1.3685573118)
-931.41198881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4322616504 (a.u.)
total exchange computation time: 3.0633780956 s
-154.1703159970
Anderson extrapolation: theta=0.0624349175 (0.0624349175)
-931.41215717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4320655053 (a.u.)
total exchange computation time: 3.0644578934 s
-154.1716300905
Anderson extrapolation: theta=2.2035297696 (2.0000000000)
-931.41216589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4316463139 (a.u.)
total exchange computation time: 3.0645389557 s
-154.1743320451
Anderson extrapolation: theta=0.3525357391 (0.3525357391)
-931.41217700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4315002445 (a.u.)
total exchange computation time: 3.0641200542 s
-154.1751827010
Anderson extrapolation: theta=1.2537086070 (1.2537086070)
-931.41217990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4313479463 (a.u.)
total exchange computation time: 3.0661070347 s
-154.1759706867
Anderson extrapolation: theta=0.4391610855 (0.4391610855)
-931.41218243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4313150729 (a.u.)
total exchange computation time: 3.0644400120 s
-154.1760348605
Anderson extrapolation: theta=0.9055728955 (0.9055728955)
-931.41218326
31.006169 -22.520997 -250.904720
544.428237 1081.403802 -416.409021
575.434406 1058.882805 -667.313742
1377.557687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0643168605
ExchangeOperator: pair fraction: ispin=0: 0.1629204976
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4313130382 (a.u.)
total exchange computation time: 3.0790159702 s
679.76585025
-1085.56809580
89.67652362
-387.88616413
-174.96898459
79.26540666
551.60419304
0.00000000
-931.41218370
3.44410520 -31.01574062 -3.85518673
-0.00012854 0.00044634 -0.00012619
0.00903943 0.00690354 0.00272650
-11.23531906 2.05097023 -9.42723850
-0.00013085 -0.00035260 -0.00013555
0.02523984 -0.01455212 0.03247142
-36.75263017 2.08775734 4.03699997
0.00052550 0.00030930 0.00002267
0.03845703 0.02441118 -0.01727231
-7.77244807 -3.72117105 2.78672483
-0.00010973 -0.00029231 -0.00025268
0.00643428 -0.01235361 0.00721356
2.46323677 0.00017895 9.61322559
0.00027723 -0.00010387 -0.00023323
-0.02716146 0.01628291 -0.01868624
-31.35068911 1.37093767 3.52340344
0.00002110 -0.00024003 0.00014120
0.00249235 -0.02106341 0.01343023
16.61374541 13.24002404 -17.64505477
0.00035433 0.00021594 0.00012918
0.03953141 0.03850149 0.02359118
-3.41723830 4.82332155 3.81115885
-0.00013102 -0.00019017 -0.00041109
-0.01475007 -0.02670664 -0.02658364
4.84982042 17.32893865 -6.78237751
0.00003782 -0.00007098 -0.00031962
-0.01783619 0.01223120 0.06906608
8.32828669 7.62035771 -21.35673708
-0.00011050 0.00035247 -0.00026624
-0.01664580 0.01508088 0.01893020
20.19114422 18.88459425 -5.29973886
0.00045810 0.00000074 0.00002776
0.00275635 -0.03497634 -0.01764651
1.96737015 14.58096474 -21.37032169
-0.00025213 -0.00019068 0.00009900
-0.01520032 0.00324326 0.00185249
10.62855495 -5.49741635 0.02578343
0.00025359 0.00008269 0.00003424
-0.01922363 -0.01046245 -0.00635587
-16.43775195 -5.63991325 4.73189370
0.00012603 -0.00013454 -0.00006144
0.01754904 0.00997430 -0.01081234
-14.20182281 -1.42317773 20.71156135
0.00000114 0.00018443 -0.00001852
-0.00172726 -0.01106189 0.04311760
0.46549042 3.66322731 -4.84619863
-0.00041510 -0.00003046 0.00004251
0.01295831 -0.00186612 -0.00112774
20.61342829 -9.57294509 -4.44402917
-0.00030205 0.00011448 -0.00058187
0.02099055 0.00862099 -0.01016812
2.71672889 -10.85464974 6.76994480
-0.00033353 0.00013679 0.00001640
-0.02217715 0.01908202 -0.04454649
-1.97874170 -1.84735081 -19.31383848
-0.00036011 -0.00003968 0.00020969
0.00370816 0.05213333 0.03154896
-0.64425356 5.42566792 -11.35665506
-0.00008966 0.00037672 -0.00009191
-0.07651707 -0.02873134 0.03893957
-4.85644932 15.54798685 14.00625380
0.00001347 0.00004469 0.00058755
-0.02242058 -0.05805612 -0.02618202
-4.97542833 3.25426509 -8.14482755
0.00003938 0.00031272 -0.00010647
0.00666768 0.02344633 0.04062893
-8.44835619 -0.01304026 -4.19337688
0.00015520 -0.00017696 0.00041454
-0.03886068 -0.02584651 0.02264736
3.05859309 27.64616789 5.59242896
-0.00003232 -0.00024595 -0.00000409
0.00447246 -0.03674745 0.03937311
8.54591922 -9.61591696 -2.08970229
-0.00038232 -0.00008174 0.00003270
0.00469880 -0.01692438 0.01017289
-6.17686780 1.24621058 10.05761988
0.00015834 -0.00031944 -0.00008058
-0.01603542 0.02532796 -0.00088587
19.89469299 9.55623661 5.79911264
0.00016375 0.00000453 -0.00040419
0.03852253 0.00197358 -0.02176640
-3.40156918 0.51315412 -24.27591909
0.00010283 -0.00011139 0.00022002
0.00482032 0.00245019 0.03342196
-13.70010699 8.51713250 9.36186224
-0.00013849 0.00000818 -0.00007164
0.00111965 -0.00465510 0.00674857
-13.57524423 5.64821016 -3.99912501
0.00034457 -0.00026388 -0.00015136
0.00834425 0.00881142 0.01454032
-3.77245305 -15.06484804 21.32999574
0.00002446 0.00001052 0.00004058
-0.00655371 -0.00377776 -0.01509643
-6.46050135 8.65952744 -6.30903883
-0.00022968 0.00007175 0.00028079
0.01759795 -0.01915881 -0.00831389
-19.69361736 30.58956138 1.39816761
0.00017803 0.00036090 0.00004060
-0.02387643 0.00137771 -0.02816691
10.19257098 3.83366872 8.06475000
-0.00007361 0.00045623 0.00010604
-0.00056551 0.02188868 0.01903499
7.27289123 16.53188921 -11.60173905
-0.00017668 -0.00002938 0.00029253
-0.00631827 -0.01881524 0.00873702
14.11027541 4.23530637 -0.39009523
0.00014074 -0.00051376 0.00026430
-0.01319259 0.02640778 -0.00107458
-5.94012806 11.86297919 -1.32273173
-0.00018845 0.00011497 -0.00017834
0.01998065 0.04135478 -0.03821445
8.44987480 11.05841430 4.94807004
0.00000735 -0.00042132 0.00009339
-0.00615953 0.05498811 -0.00782551
19.92734434 -11.21132413 -10.73859611
0.00014045 -0.00018303 -0.00010585
-0.00320705 0.00202379 0.02883239
19.29279471 -5.70101649 -0.07222615
0.00008598 0.00017825 0.00010637
0.01011154 0.00991169 -0.03098124
15.78291320 7.53463944 9.66985028
-0.00021155 -0.00010351 0.00006658
0.00056070 0.00017797 0.00247281
3.71538194 -14.63798082 16.60823645
-0.00000131 -0.00012230 -0.00000643
0.03913584 -0.03923607 -0.02139073
-3.82958218 -2.42125807 -14.21760526
-0.00013778 0.00040384 -0.00044329
0.00741824 0.01047132 -0.00410373
16.25474708 -6.41159985 -13.15663641
-0.00016613 -0.00015167 -0.00012884
-0.01586408 -0.01863063 -0.02294078
10.60010806 -4.59304080 6.73486233
0.00021671 -0.00010023 0.00031914
-0.00910818 0.01884512 -0.02001924
-19.65729670 0.95567749 25.28637152
-0.00006906 0.00006508 0.00020250
0.02402565 0.03883278 -0.00127343
23.94173396 -0.74299891 -7.39815873
-0.00009965 -0.00004856 0.00010192
0.01085353 -0.00493666 0.00209263
11.56002514 -9.74214347 -11.09283449
0.00014664 -0.00002164 0.00030273
-0.01560858 -0.01237270 -0.00068096
-9.78981869 -9.86197234 16.86763097
-0.00016836 0.00022972 0.00014451
0.01990309 -0.00402169 -0.02378577
7.30502195 -0.13359535 -28.66629384
-0.00009330 -0.00044643 -0.00002920
0.01739124 -0.00531276 0.01487395
12.62223782 17.85006212 12.28894374
0.00010930 0.00015648 -0.00003617
-0.00247776 -0.00020212 0.03602119
26.02649387 7.63781293 -11.16342703
-0.00002353 0.00023951 0.00005791
-0.01882393 -0.00565862 0.02529175
4.35857564 -29.78551711 -4.95393380
0.00039842 -0.00031902 -0.00012894
-0.01677818 -0.00813478 0.01315604
3.07652047 -30.33281349 -2.11370730
-0.00078672 0.00045847 0.00080422
0.00486719 -0.00362275 -0.01337108
-9.54864861 2.60877730 -8.88030317
0.00063896 -0.00048886 0.00055211
-0.01577307 -0.00202535 0.00016434
-11.59737321 2.87462893 -10.98662268
-0.00011350 0.00038807 -0.00034917
-0.00738199 0.01101647 -0.02859612
-36.90464811 3.62089716 2.99970323
-0.00015244 -0.00006384 0.00063429
0.00742782 -0.00649942 0.01042956
-38.43209462 1.58441139 4.14496089
0.00009925 -0.00029864 0.00025111
-0.04811316 -0.01905898 0.00405394
-9.13217936 -4.82929737 2.17535625
-0.00053919 -0.00027634 -0.00025312
-0.00784909 0.00830705 -0.01340732
-6.35316795 -4.89239676 2.69820678
0.00020919 0.00017654 0.00057459
-0.00171845 0.00889801 0.00439691
3.39516719 -1.17132412 8.60480924
-0.00045376 0.00084729 0.00006444
0.00680675 -0.00668625 -0.00436983
1.37846937 0.88127218 8.33302570
-0.00052665 0.00030094 0.00016551
0.01990129 -0.01058174 0.02272583
-30.47031260 -0.30017937 3.35206838
0.00018444 0.00092102 -0.00115416
-0.01991732 0.01467064 0.00020424
-33.13080422 1.11090456 4.04797231
-0.00041637 -0.00013964 0.00072780
0.01894141 0.00006923 -0.01058855
15.36344086 12.26521928 -18.35247597
-0.00032870 0.00010105 0.00083171
-0.05306719 -0.02690041 -0.02409492
17.87876180 11.91569819 -17.52215103
-0.00074019 -0.00051907 -0.00078449
0.01685394 0.00027329 0.00467049
-2.36385054 5.90248985 4.73598881
-0.00004887 -0.00096916 -0.00058528
0.01486304 0.02482552 0.01544347
-3.45789724 5.56975061 2.10079256
0.00045990 -0.00012041 -0.00129077
-0.00002680 -0.00376359 0.01306797
5.86702464 17.59021255 -8.17377207
-0.00046563 0.00039514 -0.00017410
0.03451683 -0.00250715 -0.05493290
5.78177070 18.27501347 -5.45183682
0.00097630 -0.00050522 0.00061091
-0.00932568 -0.01208772 -0.01510052
8.86028323 6.57445680 -22.73737851
0.00001273 0.00048883 -0.00032030
0.01795083 -0.00610971 -0.00572910
9.57091448 8.09512347 -20.02499487
0.00039412 0.00089486 -0.00016669
-0.00482462 -0.01409620 -0.02409961
19.46659250 20.26435456 -4.39793127
-0.00041342 0.00041396 0.00045364
0.00656906 0.02137044 0.00709747
21.57618302 19.40312421 -6.43457261
0.00114866 -0.00000454 0.00013433
-0.01589844 0.01218343 0.01774760
1.81193965 13.16176127 -20.17252214
0.00076615 0.00041581 0.00075484
-0.00360368 0.01409859 -0.01495783
0.23891635 15.24391535 -21.85943678
0.00016662 0.00060137 0.00032013
0.01690128 -0.01358932 0.01706941
9.77516661 -7.10767019 -0.58226729
-0.00003872 -0.00033075 -0.00031827
0.01228657 0.02535093 0.00876580
9.46936034 -4.05198349 -0.30692608
0.00043786 0.00070366 0.00003493
0.01177762 -0.01683217 0.00113906
-17.00975005 -6.38807844 6.26275203
0.00004425 0.00034815 0.00040446
-0.01360932 -0.00387286 0.00918168
-17.80623054 -5.35108549 3.55871262
0.00012423 -0.00028131 -0.00126009
-0.00387419 -0.00818719 0.00400537
-14.17803971 -0.95917280 19.00667750
-0.00006552 0.00030488 -0.00107011
-0.00750140 0.01787838 -0.03628061
-15.25003731 -0.28740218 21.69139968
-0.00041573 -0.00002370 0.00054442
0.00358952 -0.00170810 -0.00678475
-0.29218594 2.77852790 -3.46982036
-0.00043485 -0.00002215 -0.00086471
-0.01825444 0.00229155 0.01660801
1.27152630 2.20294959 -5.59926722
-0.00004688 -0.00009844 0.00089326
0.00345445 -0.00113536 -0.01411639
20.21583129 -8.83016550 -6.05071297
-0.00067756 0.00012535 0.00041161
-0.01720657 0.00159625 -0.00283663
22.42429451 -9.04424352 -4.43854530
-0.00123504 -0.00035913 0.00055081
-0.00797734 -0.01129853 0.01296278
4.36904812 -11.34322711 6.33318549
0.00086853 -0.00108641 -0.00067187
0.02088198 -0.01130256 -0.00504728
2.55210816 -11.01185849 8.49781848
0.00074819 0.00042215 0.00065247
-0.00018240 -0.00805417 0.05046557
-2.30234061 -3.39007982 -20.05667580
0.00116507 -0.00065661 0.00009076
-0.00849488 -0.04690167 -0.02866736
-3.08934020 -1.83516941 -17.84551561
0.00031928 -0.00033544 0.00010377
0.00856219 0.00259972 0.00153068
1.05451151 5.59981385 -11.12990599
-0.00025592 -0.00000574 0.00021907
0.07133710 0.01473761 -0.00095097
-1.13324759 4.65121868 -9.66288637
-0.00079473 0.00042311 0.00002714
-0.00307638 0.01379623 -0.03736038
-4.04220818 16.94656997 14.60605377
0.00026275 0.00061024 0.00042363
0.03141659 0.05369169 0.02958359
-6.49768277 16.10955252 13.44582257
0.00042055 0.00019605 0.00031014
-0.00884346 0.00435615 0.00481318
-5.03570925 2.15812028 -6.68878382
0.00055859 0.00000828 0.00010405
0.00037750 0.00184093 -0.00391789
-5.17476538 2.25557130 -9.63548056
0.00010051 0.00091142 -0.00011033
-0.00528955 -0.01266319 -0.01784965
-9.09878504 -1.78763556 -4.38693983
0.00070496 -0.00053142 -0.00014007
0.01543785 0.02957997 0.00322222
-9.61842414 0.63902360 -2.83278627
0.00051747 -0.00023553 0.00005137
0.02671275 -0.00505655 -0.02378528
2.58118852 28.92215768 4.50033347
0.00087939 -0.00000786 -0.00090787
-0.01128432 0.03806728 -0.03334546
1.93354795 27.77123825 7.03785943
0.00011216 -0.00112257 -0.00052187
0.00805606 0.00125446 -0.00499748
6.75119870 -9.47489255 -2.22612029
0.00059321 0.00022732 0.00176011
-0.01466140 0.00145508 -0.00478907
8.76571720 -11.30827165 -1.33175363
-0.00092491 -0.00010170 -0.00107792
0.00149291 0.01051363 -0.00180935
-5.31249103 -0.00837657 9.06994731
-0.00121562 0.00046667 -0.00073407
0.00505385 -0.02677500 -0.01308003
-7.98762567 1.17797709 9.91823168
0.00075895 -0.00003852 -0.00013343
-0.00057113 -0.00818108 -0.00277085
19.03056678 9.66148114 7.35607719
-0.00001213 -0.00035479 0.00032343
-0.00593847 -0.00251272 0.02683521
21.72827741 9.92083329 6.10777758
0.00127720 0.00009979 0.00072277
-0.02520385 0.00119481 -0.00062124
-3.47318245 0.51745625 -22.37544920
-0.00038245 -0.00062792 -0.00109884
0.00767413 -0.00515064 -0.02982852
-5.13867336 0.28109118 -24.75281767
-0.00129361 -0.00003483 -0.00070873
-0.01522350 0.00452982 -0.00314455
-12.69441727 9.67520246 10.37402825
0.00049885 0.00042905 -0.00101812
0.00236707 0.00010354 -0.00275388
-13.95479192 9.43157730 7.77836594
-0.00029728 0.00020860 -0.00072322
0.00344051 0.00351091 -0.00670788
-13.42027425 4.04268833 -4.80829252
0.00006324 0.00094640 0.00043907
-0.00627643 -0.00413854 -0.00614694
-15.21913801 6.38016748 -4.32594434
-0.00020522 -0.00094359 0.00068948
-0.00300121 -0.00356784 -0.01092847
-5.42748134 -15.93890590 21.01489669
0.00009087 -0.00021698 0.00027855
0.02038610 -0.00006960 0.00166952
-2.87014105 -14.94064833 19.71788471
0.00002277 0.00076070 0.00029271
-0.01376960 -0.00303040 0.00985744
-6.42308665 6.85104069 -6.64440885
0.00044619 -0.00028956 -0.00027434
0.00011050 0.00612192 0.00000472
-8.19492142 9.12879329 -6.13607548
-0.00027759 0.00007208 -0.00127170
-0.01182797 0.00666727 0.00366066
-21.11712944 30.61709882 0.18263862
-0.00033039 -0.00072578 0.00034193
0.01235532 0.00062129 0.02121071
-18.31960735 30.08542659 0.31377491
-0.00113143 -0.00032912 0.00020656
0.01096264 0.00144287 0.00673843
8.89427169 3.06206361 7.01824112
-0.00092110 -0.00028430 -0.00063398
-0.00032840 0.00343920 -0.00465156
9.53919990 5.56553894 8.56399875
-0.00007890 -0.00056002 -0.00037524
0.00816578 -0.01881416 -0.01047231
8.40279659 17.67871743 -12.40079847
-0.00040937 -0.00007884 -0.00043849
0.00973086 0.01298054 -0.00844743
8.38858402 15.05508258 -11.48603390
-0.00116918 -0.00012865 0.00005201
-0.00838532 0.00484684 0.00440305
13.28258667 5.77489966 0.25962193
0.00067054 0.00081962 0.00100035
0.00709107 -0.00443898 -0.01094814
13.81548195 3.24540897 1.12993481
-0.00141051 0.00071100 -0.00000156
0.00371567 -0.01629294 0.00496466
-4.77501553 12.47823320 -2.79066434
-0.00060019 0.00123249 0.00019969
-0.02439725 -0.03311121 0.04062094
-5.46839160 10.13906999 -0.89350419
-0.00034343 -0.00026466 0.00015575
0.00859232 0.00207313 -0.00652480
7.94139527 12.90102083 4.58781716
0.00065372 -0.00081615 -0.00033125
0.01296703 -0.04335658 0.00775363
10.29332462 10.98533618 4.57817423
0.00054933 -0.00091829 0.00002288
-0.01176608 -0.00398229 0.00396775
19.32918688 -10.45071918 -9.11264797
0.00071976 0.00068586 -0.00115479
0.00717131 -0.01756882 -0.02885947
20.57232030 -12.90975319 -10.32320520
-0.00043964 0.00094806 -0.00026750
-0.00448118 0.01274017 -0.00360372
19.42630356 -5.06457562 -1.84577657
0.00088006 -0.00080052 0.00029366
0.00038303 -0.00649857 0.02073346
18.31920398 -7.22655836 -0.22728283
-0.00012291 0.00007261 -0.00006361
-0.00973521 -0.01473995 0.00355430
14.50237330 8.77009921 9.27087072
-0.00116638 -0.00028354 -0.00003888
0.00193830 0.00205682 0.00422483
16.57149433 8.01894072 11.25782808
-0.00019587 0.00049235 0.00015892
-0.00713350 0.00144457 -0.00587684
2.81237535 -16.09668126 17.27079732
-0.00079544 0.00053417 -0.00086030
-0.01993509 0.01164858 0.00403559
3.20196282 -13.00119393 16.98658400
-0.00066986 -0.00028046 0.00003887
-0.02122379 0.02930772 0.01753324
-4.68466347 -4.04413784 -13.70387369
-0.00064112 0.00096812 -0.00015217
-0.00233002 -0.00073644 -0.00473526
-2.21463310 -2.48417390 -13.40321464
0.00009364 -0.00060688 -0.00002180
0.00648473 0.00130887 0.00024877
16.31106273 -7.51793452 -14.70499643
0.00086727 -0.00019273 0.00063645
0.00236062 0.00578642 0.00466476
17.24062860 -7.17899602 -11.84700000
0.00006981 0.00050137 0.00045634
0.00753771 -0.00759284 0.00993664
9.06106449 -4.21287316 5.73232730
-0.00051792 -0.00018918 0.00074208
0.00880327 -0.01246776 0.01160185
11.89066317 -3.88709986 5.61402200
-0.00178646 0.00046658 0.00006614
0.00409587 -0.00758401 0.00781920
-20.95485123 -0.24405459 25.06746701
-0.00005052 0.00083232 0.00114813
-0.02940516 -0.01215184 -0.00429188
-20.31945910 2.71883104 25.15624750
-0.00098189 -0.00033115 0.00016258
0.00530973 -0.03223131 0.00894560
24.98700463 -2.23655898 -6.99243536
0.00070828 0.00074891 -0.00056024
-0.00286024 0.00177790 -0.00706261
23.97582603 -0.57311043 -9.22911030
-0.00001810 0.00023530 -0.00066110
0.00194854 0.00180971 -0.00702328
12.25290977 -9.67754468 -9.43270261
-0.00076962 0.00125699 0.00019439
0.00271334 -0.00179739 0.02469151
12.64882671 -8.65855415 -12.00001441
0.00024288 -0.00054129 -0.00004167
0.01221644 0.01271182 -0.01874818
-8.66246072 -9.59905965 18.30110033
0.00099511 -0.00111162 -0.00015745
-0.00900845 -0.00138439 0.00162379
-11.44402047 -9.24839143 17.20228118
0.00115217 -0.00000856 0.00144201
-0.00787516 0.00212475 0.01699844
8.69709677 0.41203731 -29.77242723
0.00005563 0.00089732 0.00044151
-0.01005941 0.00534261 -0.00581633
5.66229006 0.06779826 -29.38721464
0.00072408 -0.00072694 -0.00058431
-0.00200249 0.00921406 -0.00975460
12.61362031 19.63185001 12.53450458
-0.00000870 0.00075592 0.00081868
-0.00241475 0.01473200 0.00879648
12.87908546 17.74098038 10.55316815
-0.00127620 0.00006940 -0.00008857
0.00589147 -0.00892910 -0.04128249
27.79617531 7.65950297 -11.57252422
0.00044055 -0.00012895 -0.00007706
0.01468040 0.00260095 -0.00605769
25.95014216 7.36763039 -9.31826841
0.00109125 0.00102977 0.00026832
0.00435660 0.00868633 -0.01060468
-6.92422149 4.48957202 6.60388506
0.00023384 -0.00013056 -0.00016411
-0.00335909 0.00059849 -0.00584065
-8.78792799 8.63458264 3.87621900
0.00017227 -0.00015793 -0.00001532
-0.00410872 -0.00257276 -0.00237572
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08163647
0.33054723
440.43761160
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4316152272 (a.u.)
total exchange computation time: 3.0927231312 s
-154.1383196273
-931.41477667
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4306851391 (a.u.)
total exchange computation time: 3.0942990780 s
-154.1464566619
Anderson extrapolation: theta=1.3894141485 (1.3894141485)
-931.41504620
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4293097653 (a.u.)
total exchange computation time: 3.0954349041 s
-154.1581382933
Anderson extrapolation: theta=0.0714024380 (0.0714024380)
-931.41521906
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.792 s
total exchange = -52.4291513698 (a.u.)
total exchange computation time: 3.0915708542 s
-154.1592978925
Anderson extrapolation: theta=2.3445056869 (2.0000000000)
-931.41522984
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4288254700 (a.u.)
total exchange computation time: 3.0950238705 s
-154.1616080573
Anderson extrapolation: theta=0.4153257834 (0.4153257834)
-931.41524446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4287047004 (a.u.)
total exchange computation time: 3.0920529366 s
-154.1624052897
Anderson extrapolation: theta=0.9423479310 (0.9423479310)
-931.41524872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4286227797 (a.u.)
total exchange computation time: 3.0921540260 s
-154.1628826240
Anderson extrapolation: theta=0.5322883150 (0.5322883150)
-931.41525175
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4286119392 (a.u.)
total exchange computation time: 3.0939478874 s
-154.1628683493
Anderson extrapolation: theta=0.7379433412 (0.7379433412)
-931.41525300
31.031445 -22.501851 -250.938431
544.383100 1081.456480 -416.408726
575.414545 1058.954630 -667.347157
1377.620788
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0644622093
ExchangeOperator: pair fraction: ispin=0: 0.1633964305
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4286293627 (a.u.)
total exchange computation time: 3.0942130089 s
679.71958019
-1085.46061434
89.67594255
-387.96014722
-174.96138549
79.20624284
551.60419304
0.00000000
-931.41525367
3.44221202 -31.00901889 -3.85706902
-0.00012445 0.00044982 -0.00012334
0.00683695 0.00661108 0.00833068
-11.23718449 2.04562516 -9.42914646
-0.00011691 -0.00035926 -0.00011931
0.02897801 -0.01135129 0.03067604
-36.74459933 2.09249099 4.03727338
0.00054356 0.00032041 0.00001459
0.03177448 0.01877820 -0.01416085
-7.77406925 -3.72560329 2.78296249
-0.00010691 -0.00029858 -0.00024904
0.00455224 -0.01205318 0.00692524
2.46729047 -0.00131625 9.60965511
0.00026161 -0.00009358 -0.00024166
-0.03358032 0.02372121 -0.01411353
-31.35036303 1.36725597 3.52557332
0.00002098 -0.00024954 0.00014842
-0.00295756 -0.01590127 0.01463558
16.61921289 13.24341172 -17.64302604
0.00037350 0.00023515 0.00014060
0.03499203 0.03618440 0.02080546
-3.41926052 4.82036592 3.80488988
-0.00013927 -0.00020408 -0.00042649
-0.01730740 -0.02737562 -0.03327554
4.85031894 17.32792117 -6.78690543
0.00002906 -0.00006417 -0.00028274
-0.01624226 0.01423907 0.07437567
8.32656502 7.62570300 -21.36065772
-0.00011852 0.00036040 -0.00025602
-0.01454125 0.01571899 0.02081419
20.19802635 18.88447046 -5.29939050
0.00045911 -0.00001581 0.00001927
0.00116519 -0.02939411 -0.01537127
1.96352963 14.57811712 -21.36882947
-0.00025931 -0.00018870 0.00009976
-0.01275528 0.00442851 0.00107247
10.63228468 -5.49621633 0.02627258
0.00024315 0.00007709 0.00003067
-0.02136644 -0.01131542 -0.00754325
-16.43579377 -5.64189286 4.73093040
0.00013404 -0.00012935 -0.00006753
0.01358831 0.01020926 -0.01286356
-14.20181236 -1.42045402 20.71144993
-0.00000000 0.00017971 0.00000166
-0.00272826 -0.00727921 0.03535907
0.45931398 3.66276322 -4.84556537
-0.00040796 -0.00003076 0.00004099
0.01477114 0.00069254 -0.00476675
20.60897849 -9.57119462 -4.45279647
-0.00029248 0.00011775 -0.00058549
0.01623051 0.00408034 -0.00391543
2.71164033 -10.85252427 6.77001903
-0.00034171 0.00014543 -0.00000588
-0.00960425 0.01450972 -0.04212932
-1.98412908 -1.84774495 -19.31057139
-0.00035773 -0.00001377 0.00022462
0.00554755 0.04864490 0.02651681
-0.64589359 5.43120792 -11.35788357
-0.00012918 0.00036185 -0.00007179
-0.07716785 -0.02911094 0.03931144
-4.85633377 15.54843332 14.01496606
0.00000318 0.00001617 0.00057474
-0.01759453 -0.05285359 -0.02362211
-4.97481189 3.25904641 -8.14626791
0.00004280 0.00032478 -0.00008464
0.00663539 0.02343225 0.04426004
-8.44617815 -0.01579432 -4.18707141
0.00013588 -0.00019066 0.00042541
-0.03623898 -0.02744574 0.01962987
3.05812555 27.64233691 5.59251952
-0.00002955 -0.00026401 0.00001429
0.00629333 -0.03347889 0.03210313
8.54020253 -9.61720842 -2.08917262
-0.00037796 -0.00009000 0.00003777
0.01226438 -0.01517857 0.00957016
-6.17455458 1.24151674 10.05640772
0.00015047 -0.00030547 -0.00008019
-0.01455476 0.02899823 0.00242817
19.89729779 9.55631212 5.79296583
0.00018441 0.00000590 -0.00041347
0.04181849 0.00335809 -0.01430989
-3.40000818 0.51149275 -24.27248988
0.00010237 -0.00011053 0.00023413
-0.00661218 0.00088374 0.02144843
-13.70218007 8.51723730 9.36081365
-0.00013792 0.00000663 -0.00006916
0.00112546 -0.00137647 0.00289769
-13.57004347 5.64428594 -4.00133936
0.00034826 -0.00025664 -0.00014267
0.00600503 0.01935375 0.01926066
-3.77211147 -15.06470480 21.33054620
0.00002092 0.00000862 0.00003326
-0.00718392 -0.00362154 -0.01337357
-6.46387869 8.66052983 -6.30485912
-0.00022037 0.00006111 0.00027639
0.01861491 -0.02223166 -0.00879555
-19.69103898 30.59498014 1.39866789
0.00016420 0.00036200 0.00002698
-0.02991529 0.00292564 -0.02479285
10.19146472 3.84059662 8.06641404
-0.00007509 0.00046509 0.00011412
-0.00521704 0.01255850 0.01239840
7.27021673 16.53137596 -11.59731744
-0.00018037 -0.00003798 0.00029670
-0.00806171 -0.01462775 0.00749727
14.11233568 4.22770180 -0.38613492
0.00013332 -0.00049797 0.00026357
-0.01567997 0.03500893 -0.00174339
-5.94287779 11.86486331 -1.32555423
-0.00017843 0.00013571 -0.00019744
0.01898983 0.03929382 -0.03606480
8.44996127 11.05230662 4.94944076
0.00000513 -0.00039374 0.00008927
-0.00246545 0.05224821 -0.00822782
19.92943875 -11.21406180 -10.74007260
0.00013839 -0.00018033 -0.00009267
-0.00480389 0.00847107 0.02241914
19.29412346 -5.69830445 -0.07075018
0.00009094 0.00018249 0.00009096
0.00915640 0.00657380 -0.02894009
15.77974208 7.53308752 9.67085850
-0.00021187 -0.00010259 0.00006794
-0.00180753 0.00340654 0.00282557
3.71551326 -14.63996660 16.60805744
0.00001897 -0.00014148 -0.00001741
0.03972375 -0.03538505 -0.02130565
-3.83162024 -2.41516012 -14.22427048
-0.00013313 0.00040905 -0.00044499
0.01064453 0.00978228 -0.00247889
16.25219399 -6.41394678 -13.15865752
-0.00017387 -0.00016098 -0.00013949
-0.01424849 -0.01756047 -0.01846108
10.60332359 -4.59447157 6.73957226
0.00021010 -0.00009104 0.00030954
-0.01658719 0.01689091 -0.01730926
-19.65823997 0.95680351 25.28940406
-0.00005599 0.00008583 0.00020188
0.02682410 0.04185864 -0.00111491
23.94028103 -0.74374640 -7.39662182
-0.00009427 -0.00005053 0.00010133
0.01009587 -0.00272134 -0.00440919
11.56216448 -9.74251576 -11.08829615
0.00013829 -0.00002809 0.00030167
-0.01685511 -0.01269988 -0.00342814
-9.79226736 -9.85854206 16.86970690
-0.00015573 0.00022697 0.00013225
0.02920457 -0.00667935 -0.02390264
7.30368958 -0.14031233 -28.66667454
-0.00008304 -0.00044912 -0.00002144
0.02248974 -0.00513574 0.01533299
12.62386777 17.85240856 12.28854007
0.00010809 0.00015781 -0.00001708
-0.00221586 0.00535566 0.03823760
26.02606825 7.64138379 -11.16246086
-0.00003205 0.00023662 0.00007085
-0.01427880 -0.00557097 0.02503680
4.36403782 -29.79055173 -4.95546470
0.00033077 -0.00034967 -0.00007597
-0.01633628 -0.00686869 0.01277042
3.06486881 -30.32604741 -2.10205368
-0.00076368 0.00044062 0.00073996
0.00641199 -0.00511599 -0.01808575
-9.53954757 2.60138235 -8.87201641
0.00056416 -0.00049981 0.00054854
-0.02083998 -0.00333352 -0.00191243
-11.59930194 2.88078756 -10.99273647
-0.00014100 0.00042912 -0.00045805
-0.00607845 0.00907986 -0.02470159
-36.90670715 3.61974037 3.00953724
-0.00012228 -0.00008274 0.00067162
0.00733603 -0.00274931 0.00783989
-38.43208021 1.57934778 4.14885174
-0.00008426 -0.00037280 0.00026688
-0.04171649 -0.01724345 0.00366810
-9.14050781 -4.83318797 2.17114866
-0.00056640 -0.00024105 -0.00030655
-0.00546939 0.00897147 -0.01274878
-6.35008271 -4.88947595 2.70696040
0.00020148 0.00021129 0.00059180
-0.00205551 0.00810928 0.00402482
3.38856941 -1.15881959 8.60564193
-0.00041576 0.00080700 0.00003529
0.01179370 -0.01303618 -0.00989947
1.37117942 0.88546207 8.33620480
-0.00044270 0.00025552 0.00026079
0.02119272 -0.01165343 0.02391318
-30.46815630 -0.28591445 3.33476217
0.00010662 0.00097078 -0.00115287
-0.01817687 0.00968278 0.00042930
-33.13646934 1.10881207 4.05856485
-0.00033190 -0.00013963 0.00068204
0.02240460 -0.00006405 -0.01180900
15.35688417 12.26591075 -18.34073866
-0.00054072 -0.00000253 0.00073723
-0.05071579 -0.02380339 -0.02215421
17.86817538 11.90792049 -17.53377523
-0.00066662 -0.00051992 -0.00076418
0.01915931 -0.00069095 0.00526895
-2.36412813 5.88871323 4.72768277
0.00001733 -0.00086234 -0.00051784
0.01754405 0.02746053 0.01757156
-3.45099954 5.56782919 2.08183152
0.00045995 -0.00013948 -0.00122777
0.00004917 -0.00557410 0.01777122
5.86109796 17.59606289 -8.17806688
-0.00032206 0.00038596 -0.00040117
0.03575764 -0.00198844 -0.05622085
5.79612942 18.26706474 -5.44313585
0.00093239 -0.00055956 0.00054080
-0.01216937 -0.01451180 -0.01922163
8.86102430 6.58160202 -22.74235856
0.00008615 0.00046409 -0.00034316
0.01798774 -0.00599882 -0.00545954
9.57667838 8.10811441 -20.02823371
0.00037010 0.00083537 -0.00026954
-0.00693088 -0.01502307 -0.02624490
19.46059249 20.27121888 -4.39090919
-0.00037977 0.00048990 0.00047537
0.00990266 0.01579825 0.00354217
21.59292581 19.40342946 -6.43201379
0.00107969 0.00004478 0.00020980
-0.01786602 0.01195895 0.01919680
1.82332141 13.16843043 -20.16165794
0.00074922 0.00047179 0.00069463
-0.00467955 0.01330521 -0.01451586
0.24193358 15.25251954 -21.85411179
0.00023274 0.00054487 0.00039039
0.01546375 -0.01406948 0.01732567
9.77496232 -7.11185458 -0.58677270
0.00001367 -0.00022232 -0.00028063
0.01336043 0.02772503 0.00965742
9.47628920 -4.04194443 -0.30636721
0.00048751 0.00063152 0.00003975
0.01252362 -0.01847953 0.00121761
-17.00950326 -6.38297486 6.26910035
-0.00001107 0.00033396 0.00043758
-0.01347467 -0.00307175 0.00702763
-17.80448582 -5.35555599 3.53993393
0.00011629 -0.00031685 -0.00123512
-0.00001428 -0.00920839 0.00822123
-14.17925236 -0.95405170 18.98951405
-0.00009748 0.00037326 -0.00119820
-0.00814603 0.01559207 -0.02641903
-15.25616328 -0.28781003 21.69935809
-0.00039773 -0.00003387 0.00051230
0.00522312 -0.00326779 -0.00894040
-0.29926805 2.77826590 -3.48228211
-0.00051529 -0.00001717 -0.00078728
-0.02112183 0.00014421 0.02129672
1.27092891 2.20143818 -5.58630094
-0.00003092 -0.00010391 0.00083324
0.00435945 -0.00154003 -0.01526366
20.20514062 -8.82823639 -6.04462574
-0.00074952 0.00013732 0.00038899
-0.01802014 0.00426563 -0.00823730
22.40552453 -9.04997670 -4.42988597
-0.00125617 -0.00040107 0.00060182
-0.00236737 -0.00923332 0.01200613
4.38271591 -11.35986957 6.32295272
0.00092869 -0.00112472 -0.00068590
0.00856649 -0.00745409 -0.00181832
2.56332545 -11.00577311 8.50915193
0.00074932 0.00039030 0.00084656
0.00073456 -0.00753367 0.04454220
-2.28512489 -3.40136616 -20.05619288
0.00113186 -0.00083966 -0.00002117
-0.00776099 -0.04270437 -0.02612014
-3.08428858 -1.84012133 -17.84391212
0.00034910 -0.00032581 0.00011526
0.00603557 0.00211211 0.00409032
1.05285876 5.60017931 -11.12664911
0.00003559 0.00005432 0.00021608
0.07135818 0.01466152 -0.00051403
-1.14526274 4.65798803 -9.66362407
-0.00080580 0.00048021 -0.00012715
-0.00234615 0.01415787 -0.03816795
-4.03730420 16.95736884 14.61331479
0.00038506 0.00081801 0.00053947
0.02845364 0.04801141 0.02711875
-6.49164553 16.11262677 13.45062212
0.00038093 0.00021452 0.00032842
-0.01055206 0.00468653 0.00413488
-5.02731882 2.15830093 -6.68734312
0.00056034 0.00001858 0.00008317
0.00047969 0.00320208 -0.00630151
-5.17341987 2.26885455 -9.63768243
0.00007895 0.00085655 -0.00018627
-0.00526182 -0.01419548 -0.01932571
-9.08773755 -1.79470039 -4.38894212
0.00076759 -0.00040852 -0.00012543
0.01521844 0.03058079 0.00394333
-9.60984357 0.63533570 -2.83274458
0.00062178 -0.00025491 -0.00004106
0.02435025 -0.00443081 -0.02145744
2.59403359 28.92320623 4.48569368
0.00083542 0.00013876 -0.00103486
-0.01023867 0.03370538 -0.02881840
1.93547727 27.75443821 7.02987821
0.00013895 -0.00111465 -0.00053667
0.00505397 0.00262053 -0.00224627
6.75964762 -9.47143810 -2.19986538
0.00051540 0.00023661 0.00173856
-0.02343003 0.00308867 -0.00575914
8.75188923 -11.30947504 -1.34797782
-0.00091583 -0.00006510 -0.00108192
0.00295355 0.00740554 -0.00015102
-5.33057041 -0.00219705 9.05853540
-0.00118761 0.00035032 -0.00079306
0.00865303 -0.03017504 -0.01579334
-7.97625890 1.17714863 9.91614539
0.00074620 -0.00007116 -0.00014469
-0.00566868 -0.00779811 -0.00274443
19.03020282 9.65608230 7.36175101
-0.00003038 -0.00036572 0.00042086
-0.00299347 -0.00283663 0.02085754
21.74666303 9.92236669 6.11860014
0.00116141 0.00010210 0.00071676
-0.03147430 -0.00006171 -0.00231987
-3.47868409 0.50787956 -22.39284580
-0.00035159 -0.00064867 -0.00120350
0.00743553 -0.00500529 -0.02140680
-5.15854402 0.28070750 -24.76354495
-0.00133276 -0.00001345 -0.00071496
-0.00393924 0.00593521 0.00009302
-12.68686202 9.68164141 10.35867210
0.00050764 0.00042845 -0.00102866
0.00193776 -0.00039886 -0.00240572
-13.95914576 9.43481387 7.76731215
-0.00028252 0.00021794 -0.00074273
0.00378546 0.00105932 -0.00284323
-13.41951803 4.05675746 -4.80189481
0.00004051 0.00090800 0.00040372
-0.00484624 -0.01465890 -0.01115570
-15.22230829 6.36590437 -4.31593706
-0.00021581 -0.00095775 0.00064544
-0.00218371 -0.00336729 -0.01062693
-5.42549360 -15.94216270 21.01912608
0.00017423 -0.00021726 0.00028435
0.02041688 -0.00007032 0.00116823
-2.87022141 -14.92933074 19.72257750
-0.00003265 0.00074797 0.00033015
-0.01335760 -0.00319796 0.00846707
-6.41639049 6.84688493 -6.64852383
0.00044553 -0.00025778 -0.00027305
-0.00043349 0.00943411 0.00062584
-8.19944778 9.13007880 -6.15503875
-0.00032701 0.00009863 -0.00125692
-0.01235993 0.00632714 0.00357067
-21.12170666 30.60623121 0.18841750
-0.00027922 -0.00072231 0.00043025
0.01269085 0.00107619 0.02202424
-18.33624279 30.08053400 0.31707982
-0.00107478 -0.00032720 0.00022569
0.01676571 -0.00050499 0.00262629
8.88044518 3.05790454 7.00858895
-0.00090912 -0.00026247 -0.00064280
0.00619260 0.00724532 0.00033325
9.53826669 5.55656210 8.55804931
-0.00004918 -0.00062619 -0.00041478
0.00638097 -0.01357536 -0.00888342
8.39695428 17.67793264 -12.40763466
-0.00037121 -0.00002893 -0.00047106
0.00894744 0.01144882 -0.00749483
8.37078932 15.05330134 -11.48511887
-0.00119814 -0.00011410 0.00007026
-0.00578792 0.00227681 0.00453289
13.29286207 5.78705790 0.27429164
0.00070539 0.00079106 0.00094977
0.00996806 -0.00953830 -0.01380953
13.79443809 3.25557468 1.13006360
-0.00139561 0.00063758 0.00002589
0.00358146 -0.01964756 0.00846909
-4.78476591 12.49570585 -2.78642420
-0.00069736 0.00109514 0.00036348
-0.02317073 -0.03412190 0.03955247
-5.47327980 10.13516366 -0.89136785
-0.00030860 -0.00025010 0.00012643
0.00846096 0.00505244 -0.00783021
7.95159841 12.88745000 4.58308606
0.00070426 -0.00098760 -0.00029991
0.01177185 -0.04056841 0.00758684
10.30120403 10.97143975 4.57863903
0.00049561 -0.00093466 0.00004041
-0.01452825 -0.00402772 0.00461166
19.34020310 -10.44096960 -9.13085410
0.00074608 0.00061726 -0.00126377
0.00571137 -0.01601333 -0.02449109
20.56558831 -12.89514183 -10.32732811
-0.00045157 0.00098395 -0.00027764
-0.00135698 0.00482845 -0.00135856
19.43951618 -5.07678263 -1.84073641
0.00088176 -0.00082347 0.00037234
0.00045208 -0.00473557 0.01778395
18.31706203 -7.22592096 -0.22812808
-0.00016049 0.00001573 -0.00004758
-0.00866084 -0.01310236 0.00429045
14.48493700 8.76590916 9.27041695
-0.00115196 -0.00028097 -0.00001944
0.00511966 -0.00079919 0.00529364
16.56833767 8.02637029 11.26003175
-0.00022655 0.00049748 0.00013205
-0.00788456 0.00106255 -0.00727557
2.79983293 -16.08831177 17.25801653
-0.00087889 0.00057618 -0.00084208
-0.02091410 0.00891542 0.00488247
3.19126449 -13.00450281 16.98770439
-0.00075526 -0.00016283 0.00010892
-0.02057831 0.02827583 0.01675576
-4.69435173 -4.02963868 -13.70630140
-0.00065101 0.00096379 -0.00017192
-0.00251156 -0.00138201 -0.00492862
-2.21302973 -2.49323703 -13.40353399
0.00011347 -0.00060072 -0.00002402
0.00321854 0.00170803 -0.00133478
16.32414418 -7.52064815 -14.69530667
0.00087658 -0.00017216 0.00065031
0.00219391 0.00428244 0.00211730
17.24190670 -7.17170820 -11.83985048
0.00009770 0.00047284 0.00049303
0.00611791 -0.00636873 0.00802405
9.05356551 -4.21609286 5.74381403
-0.00047967 -0.00024172 0.00079194
0.00991939 -0.01325309 0.01280616
11.86399181 -3.88033351 5.61525377
-0.00175706 0.00044102 0.00008976
0.01029443 -0.00493062 0.00373864
-20.95651013 -0.23194220 25.08455744
-0.00017777 0.00077358 0.00112956
-0.03288209 -0.01659922 -0.00479987
-20.33402480 2.71287612 25.15896036
-0.00095842 -0.00046042 0.00019935
0.00617966 -0.03104639 0.00905145
24.99754124 -2.22527088 -7.00105537
0.00069865 0.00075208 -0.00058701
-0.00185595 -0.00022695 -0.00604222
23.97561430 -0.56952544 -9.23924206
-0.00001061 0.00024206 -0.00067852
0.00171783 0.00149674 -0.00150367
12.24144860 -9.65874487 -9.42903012
-0.00075651 0.00124998 0.00030079
0.00370660 -0.00163294 0.02739382
12.65284424 -8.66628390 -12.00121392
0.00029327 -0.00048914 -0.00011852
0.01244907 0.01281122 -0.01887373
-8.64781005 -9.61577645 18.29878829
0.00095592 -0.00111777 -0.00015370
-0.01017819 -0.00162343 0.00021543
-11.42697927 -9.24845477 17.22443215
0.00110317 0.00000625 0.00151449
-0.01610761 0.00512688 0.01848267
8.69762294 0.42566078 -29.76598284
0.00001342 0.00091765 0.00041931
-0.01060318 0.00460809 -0.00504808
5.67308991 0.05717644 -29.39627827
0.00070742 -0.00068830 -0.00062691
-0.00615142 0.00970291 -0.01109524
12.61341574 19.64364021 12.54705426
-0.00001832 0.00080303 0.00085084
-0.00229393 0.00832879 0.00694965
12.86012298 17.74174775 10.55057455
-0.00125290 0.00003459 -0.00025789
0.00551208 -0.00810858 -0.04159837
27.80323348 7.65764839 -11.57386571
0.00049304 -0.00011783 -0.00010134
0.01100967 0.00284304 -0.00582904
25.96664434 7.38334304 -9.31456857
0.00110701 0.00106459 0.00022476
0.00336115 0.00836146 -0.01072033
-6.92072290 4.48761522 6.60140768
0.00023266 -0.00013034 -0.00016621
-0.00326472 0.00062373 -0.00585403
-8.78535111 8.63220918 3.87598499
0.00017130 -0.00015851 -0.00001590
-0.00423365 -0.00243538 -0.00253800
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08209020
0.33316347
443.92362604
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.796 s
total exchange = -52.4274790431 (a.u.)
total exchange computation time: 3.1054880619 s
-154.1201299592
-931.41740589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4265718656 (a.u.)
total exchange computation time: 3.1056160927 s
-154.1279430024
Anderson extrapolation: theta=1.3779139327 (1.3779139327)
-931.41766103
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.796 s
total exchange = -52.4252212706 (a.u.)
total exchange computation time: 3.1026859283 s
-154.1391919068
Anderson extrapolation: theta=0.0663231880 (0.0663231880)
-931.41782119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4250563022 (a.u.)
total exchange computation time: 3.1025300026 s
-154.1403519495
Anderson extrapolation: theta=2.2929263453 (2.0000000000)
-931.41783012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.792 s
total exchange = -52.4247097666 (a.u.)
total exchange computation time: 3.1044518948 s
-154.1427009996
Anderson extrapolation: theta=0.3898817506 (0.3898817506)
-931.41784183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4245839508 (a.u.)
total exchange computation time: 3.1033329964 s
-154.1434779460
Anderson extrapolation: theta=1.0372734239 (1.0372734239)
-931.41784508
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4244838546 (a.u.)
total exchange computation time: 3.1041510105 s
-154.1440099376
Anderson extrapolation: theta=0.4888973989 (0.4888973989)
-931.41784757
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4244668904 (a.u.)
total exchange computation time: 3.1093690395 s
-154.1439993632
Anderson extrapolation: theta=0.7791517974 (0.7791517974)
-931.41784853
31.058480 -22.492504 -250.986480
544.338101 1081.507761 -416.410534
575.396580 1059.015256 -667.397014
1377.684039
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4244786280 (a.u.)
total exchange computation time: 3.1048629284 s
679.65049066
-1085.30585942
89.67815064
-388.06612666
-174.95002566
79.12125906
551.60419304
0.00000000
-931.41784906
3.44037158 -31.00224615 -3.85888705
-0.00012154 0.00045300 -0.00011768
0.00449353 0.00576959 0.01368963
-11.23882637 2.04019252 -9.43081777
-0.00010129 -0.00036423 -0.00010424
0.03175658 -0.00800463 0.02792900
-36.73632336 2.09736950 4.03743753
0.00055784 0.00032838 0.00000821
0.02376470 0.01223109 -0.01061198
-7.77565531 -3.73012852 2.77925358
-0.00010511 -0.00030466 -0.00024556
0.00244592 -0.01159410 0.00662787
2.47108510 -0.00262844 9.60597576
0.00024287 -0.00007964 -0.00024761
-0.03927879 0.03048285 -0.00901450
-31.35005976 1.36345160 3.52785611
0.00001815 -0.00025624 0.00015626
-0.00805271 -0.01015073 0.01584703
16.62495033 13.24707855 -17.64083680
0.00038992 0.00025275 0.00015037
0.02888449 0.03225887 0.01718411
-3.42141626 4.81719909 3.79836420
-0.00014857 -0.00021815 -0.00044494
-0.01887144 -0.02732112 -0.03846820
4.85069216 17.32701354 -6.79085956
0.00002146 -0.00005636 -0.00024394
-0.01332124 0.01614865 0.07647169
8.32473118 7.63116956 -21.36441778
-0.00012549 0.00036851 -0.00024507
-0.01259253 0.01582686 0.02176117
20.20491747 18.88411989 -5.29916072
0.00045919 -0.00002947 0.00001205
-0.00084948 -0.02373083 -0.01269088
1.95959071 14.57530367 -21.36732898
-0.00026515 -0.00018610 0.00010007
-0.00993898 0.00567504 0.00015454
10.63584957 -5.49510359 0.02670353
0.00023178 0.00007111 0.00002657
-0.02284782 -0.01196294 -0.00839443
-16.43373076 -5.64379370 4.72986786
0.00014003 -0.00012410 -0.00007451
0.00971719 0.01018109 -0.01428514
-14.20182295 -1.41778646 20.71161130
-0.00000161 0.00017691 0.00001766
-0.00352969 -0.00359808 0.02684374
0.45325150 3.66230446 -4.84496888
-0.00039995 -0.00002987 0.00003773
0.01639991 0.00278684 -0.00791808
20.60465390 -9.56941267 -4.46159397
-0.00028548 0.00011864 -0.00058595
0.01099057 -0.00061762 0.00213532
2.70647767 -10.85028686 6.76976825
-0.00034359 0.00015170 -0.00002639
0.00228805 0.00985685 -0.03762791
-1.98947366 -1.84776382 -19.30709974
-0.00035444 0.00000983 0.00023667
0.00724889 0.04310295 0.02032148
-0.64812895 5.43652335 -11.35880879
-0.00016807 0.00034698 -0.00005160
-0.07405380 -0.02871085 0.03919831
-4.85635396 15.54847204 14.02349608
-0.00000440 -0.00000910 0.00056355
-0.01185887 -0.04544076 -0.01990279
-4.97414426 3.26400849 -8.14736682
0.00004618 0.00033673 -0.00006122
0.00651288 0.02303631 0.04682327
-8.44427968 -0.01876012 -4.18061450
0.00011816 -0.00020507 0.00043459
-0.03268039 -0.02856793 0.01606561
3.05770656 27.63824766 5.59285774
-0.00002588 -0.00028003 0.00002855
0.00798864 -0.02881846 0.02332757
8.53458045 -9.61861697 -2.08856912
-0.00036985 -0.00009727 0.00004244
0.01925055 -0.01310857 0.00858340
-6.17235365 1.23704662 10.05521429
0.00014352 -0.00028982 -0.00007824
-0.01248441 0.03183569 0.00513631
19.90022521 9.55641354 5.78670862
0.00020640 0.00000792 -0.00041880
0.04370746 0.00451644 -0.00641562
-3.39849819 0.50983819 -24.26889520
0.00009629 -0.00011042 0.00024178
-0.01700280 -0.00043307 0.00831779
-13.70424446 8.51733149 9.35978742
-0.00013731 0.00000673 -0.00006865
0.00123099 0.00174561 -0.00089901
-13.56479638 5.64051103 -4.00340511
0.00035071 -0.00024396 -0.00013155
0.00352399 0.02995316 0.02396644
-3.77182531 -15.06458950 21.33099348
0.00001711 0.00000683 0.00002692
-0.00765532 -0.00331584 -0.01125331
-6.46711242 8.66136072 -6.30074727
-0.00021071 0.00004904 0.00027177
0.01893074 -0.02469778 -0.00915633
-19.68869138 30.60042147 1.39897690
0.00014745 0.00036392 0.00001521
-0.03520247 0.00451051 -0.02098014
10.19031821 3.84762140 8.06817373
-0.00007874 0.00046912 0.00011891
-0.00898176 0.00311096 0.00621017
7.26748004 16.53074986 -11.59283798
-0.00018491 -0.00004425 0.00030017
-0.00957801 -0.00974505 0.00599571
14.11427498 4.22036732 -0.38218806
0.00012475 -0.00047804 0.00026256
-0.01763385 0.04248703 -0.00220714
-5.94548102 11.86705058 -1.32865495
-0.00016906 0.00015527 -0.00021523
0.01746402 0.03673882 -0.03311569
8.45002872 11.04660203 4.95074801
0.00000484 -0.00036787 0.00008501
0.00133063 0.04835675 -0.00831425
19.93149610 -11.21673412 -10.74137614
0.00013551 -0.00017425 -0.00008307
-0.00638603 0.01518691 0.01491665
19.29552284 -5.69554169 -0.06949747
0.00009531 0.00018488 0.00007675
0.00783476 0.00270348 -0.02630187
15.77655702 7.53156189 9.67188852
-0.00021340 -0.00010006 0.00006944
-0.00414226 0.00640989 0.00299347
3.71595103 -14.64222537 16.60771406
0.00003937 -0.00015831 -0.00002821
0.03961495 -0.03005207 -0.02069800
-3.83357617 -2.40898670 -14.23095484
-0.00012685 0.00041387 -0.00044583
0.01379967 0.00895892 -0.00081397
16.24953099 -6.41642918 -13.16082106
-0.00018069 -0.00016977 -0.00014760
-0.01228627 -0.01664035 -0.01306680
10.60641115 -4.59577205 6.74414865
0.00019977 -0.00008294 0.00030148
-0.02358219 0.01460365 -0.01403977
-19.65897630 0.95825244 25.29242801
-0.00004169 0.00010766 0.00020131
0.02878145 0.04301586 -0.00112563
23.93890599 -0.74451489 -7.39511893
-0.00008927 -0.00005135 0.00009743
0.00931411 -0.00045258 -0.01072524
11.56417379 -9.74298603 -11.08378425
0.00012955 -0.00003456 0.00029931
-0.01713057 -0.01248428 -0.00576878
-9.79449072 -9.85516330 16.87159843
-0.00013859 0.00022289 0.00011997
0.03744794 -0.00916064 -0.02386414
7.30253072 -0.14706892 -28.66693695
-0.00007028 -0.00045169 -0.00001348
0.02713226 -0.00485324 0.01560926
12.62548062 17.85479633 12.28843139
0.00010707 0.00016195 0.00000266
-0.00176758 0.01077082 0.03850149
26.02553247 7.64491168 -11.16130154
-0.00003815 0.00023379 0.00008356
-0.00945552 -0.00546349 0.02440762
4.36849881 -29.79600732 -4.95621296
0.00026554 -0.00037448 -0.00002528
-0.01559677 -0.00527552 0.01204197
3.05361011 -30.31959487 -2.09150846
-0.00073456 0.00041716 0.00065762
0.00784241 -0.00636898 -0.02221920
-9.53172373 2.59378310 -8.86384686
0.00047032 -0.00051553 0.00053701
-0.02509548 -0.00436515 -0.00373558
-11.60160319 2.88750266 -11.00036412
-0.00016286 0.00046143 -0.00054965
-0.00462107 0.00673243 -0.02013601
-36.90831659 3.61841509 3.01985173
-0.00009281 -0.00008565 0.00069793
0.00709106 0.00132483 0.00504216
-38.43462244 1.57322738 4.15296738
-0.00023867 -0.00043836 0.00028068
-0.03386974 -0.01485043 0.00308766
-9.14917145 -4.83652874 2.16615974
-0.00058376 -0.00020310 -0.00035723
-0.00302676 0.00960388 -0.01206087
-6.34712343 -4.88605815 2.71596069
0.00019267 0.00024249 0.00060749
-0.00225781 0.00716286 0.00365904
3.38269441 -1.14711399 8.60586792
-0.00035777 0.00074126 -0.00001620
0.01659464 -0.01914606 -0.01530502
1.36518829 0.88893777 8.34084944
-0.00035457 0.00020662 0.00035962
0.02195119 -0.01228515 0.02446622
-30.46711399 -0.27105612 3.31748226
0.00003671 0.00099914 -0.00115102
-0.01604594 0.00419986 0.00047417
-33.14076136 1.10671564 4.06843366
-0.00023475 -0.00014030 0.00063165
0.02515143 -0.00026270 -0.01286072
15.34721929 12.26514341 -18.33035909
-0.00073884 -0.00009075 0.00065278
-0.04626632 -0.01938231 -0.01918458
17.85876316 11.90010044 -17.54507652
-0.00058472 -0.00052413 -0.00074169
0.02093401 -0.00136616 0.00574331
-2.36333050 5.87661956 4.72045363
0.00009255 -0.00074677 -0.00044338
0.01927583 0.02911079 0.01887728
-3.44409882 5.56556616 2.06395960
0.00046017 -0.00016538 -0.00114683
0.00006002 -0.00710339 0.02184643
5.85736273 17.60179135 -8.18580725
-0.00017709 0.00037788 -0.00062840
0.03520955 -0.00196537 -0.05501041
5.80974234 18.25822663 -5.43561290
0.00087782 -0.00062267 0.00045519
-0.01454068 -0.01638212 -0.02268194
8.86286777 6.58837959 -22.74767321
0.00015921 0.00044045 -0.00036416
0.01777511 -0.00557242 -0.00482372
9.58201751 8.12018464 -20.03308100
0.00033832 0.00077254 -0.00038000
-0.00862429 -0.01573587 -0.02782545
19.45519938 20.27905141 -4.38367002
-0.00033252 0.00054295 0.00048271
0.01322465 0.01017189 0.00004847
21.60857366 19.40446764 -6.42827847
0.00100369 0.00009330 0.00029030
-0.01933593 0.01178985 0.02020517
1.83441638 13.17591502 -20.15168336
0.00072799 0.00052384 0.00063693
-0.00571354 0.01217427 -0.01372784
0.24589852 15.26026147 -21.84772498
0.00029218 0.00048692 0.00046133
0.01363358 -0.01429818 0.01739850
9.77557685 -7.11433980 -0.59068624
0.00006987 -0.00010550 -0.00023980
0.01414556 0.02945783 0.01033128
9.48398558 -4.03303792 -0.30573372
0.00053947 0.00055360 0.00004469
0.01291169 -0.01966218 0.00120307
-17.01008229 -6.37805954 6.27587938
-0.00006545 0.00032339 0.00046109
-0.01314458 -0.00210315 0.00447904
-17.80274198 -5.36059085 3.52165909
0.00012349 -0.00035628 -0.00119341
0.00354014 -0.01009385 0.01219497
-14.18096426 -0.94797503 18.97073148
-0.00013204 0.00043196 -0.00128507
-0.00876778 0.01314426 -0.01610273
-15.26196914 -0.28841814 21.70676857
-0.00037351 -0.00004988 0.00047189
0.00662977 -0.00457268 -0.01083741
-0.30764463 2.77801274 -3.49343866
-0.00060670 -0.00002038 -0.00069216
-0.02362195 -0.00171700 0.02526170
1.27059869 2.19983238 -5.57427011
-0.00001162 -0.00011062 0.00076905
0.00508667 -0.00174667 -0.01615818
20.19334557 -8.82604586 -6.03904335
-0.00082460 0.00016012 0.00034485
-0.01872958 0.00689234 -0.01336845
22.38660946 -9.05627575 -4.42049083
-0.00125362 -0.00043427 0.00064886
0.00361236 -0.00701413 0.01102462
4.39690871 -11.37696885 6.31260851
0.00093774 -0.00114703 -0.00068632
-0.00413489 -0.00346695 0.00161144
2.57458776 -11.00014943 8.52321520
0.00075401 0.00036082 0.00101242
0.00156131 -0.00689771 0.03664945
-2.26838481 -3.41526968 -20.05731076
0.00110208 -0.00100133 -0.00012066
-0.00681832 -0.03643304 -0.02258194
-3.07886706 -1.84494382 -17.84205795
0.00036844 -0.00031827 0.00013750
0.00342938 0.00157932 0.00679712
1.05557927 5.60144332 -11.12342373
0.00031990 0.00011336 0.00021394
0.06781274 0.01424005 -0.00053248
-1.15742167 4.66562507 -9.66670093
-0.00081423 0.00053799 -0.00028293
-0.00178110 0.01412468 -0.03808686
-4.03065640 16.97111013 14.62223781
0.00049282 0.00099843 0.00064362
0.02429479 0.04030699 0.02386263
-6.48625499 16.11598824 13.45567507
0.00033472 0.00023431 0.00034398
-0.01206450 0.00499994 0.00348133
-5.01889899 2.15867782 -6.68628861
0.00056241 0.00003404 0.00005320
0.00053207 0.00436218 -0.00837124
-5.17239684 2.28126780 -9.64106871
0.00005768 0.00079657 -0.00026668
-0.00514845 -0.01516326 -0.02003587
-9.07575738 -1.79989105 -4.39070273
0.00082867 -0.00028323 -0.00010813
0.01467895 0.03074725 0.00452548
-9.59977066 0.63137625 -2.83401793
0.00071517 -0.00027105 -0.00012248
0.02136580 -0.00347117 -0.01840277
2.60625118 28.92632045 4.46928773
0.00079644 0.00026477 -0.00114090
-0.00884541 0.02797764 -0.02309166
1.93771633 27.73779877 7.02175932
0.00015295 -0.00110121 -0.00053967
0.00180158 0.00395992 0.00077657
6.76666059 -9.46779436 -2.17396342
0.00040309 0.00025252 0.00171361
-0.03154290 0.00470351 -0.00645627
8.73824227 -11.31022457 -1.36421126
-0.00090079 -0.00004180 -0.00107914
0.00440927 0.00399682 0.00151197
-5.34811947 0.00213315 9.04615558
-0.00114594 0.00022160 -0.00086207
0.01174818 -0.03283847 -0.01798802
-7.96523955 1.17584225 9.91389089
0.00071256 -0.00010212 -0.00015571
-0.01080083 -0.00735616 -0.00265015
19.02965540 9.65050961 7.36870311
-0.00003615 -0.00037794 0.00049284
0.00017009 -0.00314627 0.01437446
21.76311971 9.92389631 6.12928052
0.00102253 0.00009982 0.00070408
-0.03650653 -0.00105693 -0.00389039
-3.48373004 0.49799611 -22.41155433
-0.00032195 -0.00066898 -0.00127108
0.00707075 -0.00493510 -0.01167333
-5.17865609 0.28068758 -24.77426652
-0.00132769 0.00001332 -0.00070833
0.00641794 0.00717208 0.00315476
-12.67918802 9.68805591 10.34316852
0.00051470 0.00042572 -0.00103774
0.00151671 -0.00093791 -0.00204240
-13.96326760 9.43811536 7.75608412
-0.00026621 0.00021732 -0.00074667
0.00419773 -0.00136245 0.00091424
-13.41905882 4.06992822 -4.79618078
0.00002368 0.00082649 0.00034786
-0.00339352 -0.02524072 -0.01619094
-15.22561242 6.35143489 -4.30658106
-0.00022281 -0.00097111 0.00060274
-0.00124153 -0.00316945 -0.01027761
-5.42225459 -15.94542380 21.02342707
0.00025688 -0.00021791 0.00028800
0.02004231 -0.00024625 0.00061984
-2.87112042 -14.91820914 19.72778920
-0.00008588 0.00073469 0.00036116
-0.01269976 -0.00330477 0.00671406
-6.40972088 6.84330735 -6.65260045
0.00044262 -0.00021334 -0.00026936
-0.00099114 0.01231883 0.00118204
-8.20473164 9.13175208 -6.17378318
-0.00037713 0.00012337 -0.00124265
-0.01217715 0.00578686 0.00341528
-21.12550612 30.59542956 0.19554616
-0.00022772 -0.00071699 0.00052092
0.01251976 0.00152756 0.02236090
-18.35185073 30.07561046 0.32054570
-0.00099490 -0.00033336 0.00022814
0.02233792 -0.00250781 -0.00142742
8.86699819 3.05418951 6.99895719
-0.00087181 -0.00022597 -0.00063249
0.01207114 0.01062284 0.00471196
9.53772455 5.54675327 8.55155544
-0.00002790 -0.00066891 -0.00044723
0.00403429 -0.00733613 -0.00700113
8.39166032 17.67784951 -12.41493017
-0.00033700 0.00001384 -0.00049909
0.00779851 0.00948618 -0.00622712
8.35263989 15.05165964 -11.48392604
-0.00121618 -0.00011051 0.00008904
-0.00304438 -0.00052242 0.00466062
13.30374838 5.79863157 0.28811503
0.00075105 0.00074294 0.00088820
0.01238148 -0.01402087 -0.01632840
13.77361372 3.26453627 1.13071144
-0.00138141 0.00055148 0.00006658
0.00336813 -0.02249958 0.01145161
-4.79593634 12.51108730 -2.77976004
-0.00078837 0.00095470 0.00052116
-0.02137743 -0.03462421 0.03763475
-5.47764947 10.13156697 -0.88971139
-0.00027442 -0.00022350 0.00009197
0.00827056 0.00796874 -0.00903489
7.96252300 12.87139289 4.57881993
0.00074950 -0.00114557 -0.00026975
0.01037362 -0.03676239 0.00717413
10.30819306 10.95729647 4.57938647
0.00043129 -0.00095117 0.00006037
-0.01695672 -0.00405475 0.00516185
19.35156934 -10.43220140 -9.15056118
0.00076585 0.00055609 -0.00135322
0.00396540 -0.01392864 -0.01929463
20.55877317 -12.88023455 -10.33153429
-0.00045022 0.00098604 -0.00027826
0.00201626 -0.00380898 0.00105129
19.45275650 -5.08927987 -1.83460633
0.00088391 -0.00083896 0.00043784
0.00059877 -0.00284569 0.01428025
18.31438930 -7.22608656 -0.22871037
-0.00019317 -0.00003363 -0.00002847
-0.00733847 -0.01105620 0.00506576
14.46781447 8.76167014 9.27028760
-0.00112489 -0.00028965 0.00000418
0.00813215 -0.00345261 0.00626859
16.56469780 8.03386498 11.26178954
-0.00026000 0.00050109 0.00010000
-0.00848718 0.00070447 -0.00841206
2.78600877 -16.07939590 17.24553497
-0.00096615 0.00060711 -0.00082065
-0.02180307 0.00622720 0.00560504
3.17930499 -13.00607878 16.98985169
-0.00083679 -0.00005251 0.00017497
-0.01932874 0.02572461 0.01557516
-4.70419391 -4.01522421 -13.70903116
-0.00066158 0.00095688 -0.00019239
-0.00266098 -0.00200132 -0.00509257
-2.21122911 -2.50219549 -13.40393515
0.00011992 -0.00059285 -0.00003273
-0.00005800 0.00214323 -0.00292961
16.33736009 -7.52309933 -14.68548715
0.00088537 -0.00015811 0.00065339
0.00211097 0.00259499 -0.00060684
17.24355975 -7.16481069 -11.83220920
0.00011929 0.00044962 0.00052183
0.00444770 -0.00500179 0.00607601
9.04667444 -4.22012479 5.75608561
-0.00043766 -0.00029720 0.00084605
0.01064270 -0.01390557 0.01367908
11.83795135 -3.87386933 5.61671467
-0.00170245 0.00042667 0.00009620
0.01643738 -0.00209022 -0.00058314
-20.96018426 -0.22084710 25.10135371
-0.00031697 0.00069866 0.00110946
-0.03525613 -0.02007790 -0.00503937
-20.34821177 2.70501848 25.16222794
-0.00093198 -0.00058306 0.00023637
0.00676536 -0.02898832 0.00906942
25.00796410 -2.21399668 -7.01004569
0.00069323 0.00074700 -0.00060959
-0.00079830 -0.00225654 -0.00501109
23.97550784 -0.56584872 -9.24946597
-0.00000410 0.00024754 -0.00067382
0.00146505 0.00118529 0.00380567
12.23021458 -9.64004514 -9.42367876
-0.00074012 0.00124378 0.00041606
0.00431327 -0.00140381 0.02902896
12.65762471 -8.67322850 -12.00357013
0.00034346 -0.00043782 -0.00019464
0.01212229 0.01231078 -0.01838320
-8.63378315 -9.63259273 18.29648945
0.00091214 -0.00112479 -0.00015556
-0.01125254 -0.00181434 -0.00112569
-11.41092525 -9.24820390 17.24771586
0.00102153 0.00003287 0.00159344
-0.02385823 0.00790184 0.02016376
8.69749928 0.43956667 -29.75984782
-0.00003080 0.00093492 0.00040027
-0.01104053 0.00384734 -0.00427292
5.68351277 0.04714927 -29.40602189
0.00067457 -0.00064787 -0.00067460
-0.00992927 0.01008565 -0.01225260
12.61307060 19.65594086 12.56002986
-0.00002745 0.00082397 0.00087517
-0.00217269 0.00192403 0.00495988
12.84149832 17.74201817 10.54543156
-0.00123166 0.00000354 -0.00042436
0.00488693 -0.00709224 -0.03989333
27.81096639 7.65596806 -11.57556445
0.00052995 -0.00010576 -0.00012455
0.00706102 0.00306765 -0.00553411
25.98335251 7.39956814 -9.31152575
0.00111872 0.00109803 0.00018142
0.00236930 0.00800608 -0.01049234
-6.91724183 4.48566177 6.59889887
0.00023151 -0.00013011 -0.00016830
-0.00315027 0.00065693 -0.00585703
-8.78278896 8.62982725 3.87574214
0.00017030 -0.00015906 -0.00001650
-0.00438486 -0.00228419 -0.00263985
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08258968
0.33525939
446.71632393
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4213376085 (a.u.)
total exchange computation time: 3.1040430069 s
-154.0972524239
-931.41872343
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4205205179 (a.u.)
total exchange computation time: 3.1038839817 s
-154.1044038359
Anderson extrapolation: theta=1.3572159198 (1.3572159198)
-931.41896188
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4193245197 (a.u.)
total exchange computation time: 3.1031150818 s
-154.1145964553
Anderson extrapolation: theta=0.0566746437 (0.0566746437)
-931.41910586
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.797 s
total exchange = -52.4191907461 (a.u.)
total exchange computation time: 3.1068089008 s
-154.1156022152
Anderson extrapolation: theta=2.0565672303 (2.0000000000)
-931.41911204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4189109419 (a.u.)
total exchange computation time: 3.1037240028 s
-154.1176605964
Anderson extrapolation: theta=0.2584264646 (0.2584264646)
-931.41911921
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4188436582 (a.u.)
total exchange computation time: 3.1070950031 s
-154.1181175784
Anderson extrapolation: theta=1.6213335722 (1.6213335722)
-931.41912078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4187613243 (a.u.)
total exchange computation time: 3.1046698093 s
-154.1186283354
Anderson extrapolation: theta=0.3172670302 (0.3172670302)
-931.41912255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4187613732 (a.u.)
total exchange computation time: 3.1060571671 s
-154.1185707332
Anderson extrapolation: theta=1.1706996394 (1.1706996394)
-931.41912304
31.083789 -22.492712 -251.040697
544.293269 1081.556977 -416.414203
575.377058 1059.064266 -667.454900
1377.741602
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4187803061 (a.u.)
total exchange computation time: 3.1047639847 s
679.56656077
-1085.11329981
89.68051189
-388.19820667
-174.93590929
79.01421312
551.60419304
0.00000000
-931.41912341
3.43856581 -30.99542890 -3.86059946
-0.00011987 0.00045561 -0.00010934
0.00200133 0.00439784 0.01873084
-11.24022326 2.03469812 -9.43227361
-0.00008450 -0.00036748 -0.00009078
0.03352337 -0.00460926 0.02440385
-36.72786405 2.10234238 4.03751982
0.00056779 0.00033282 0.00000375
0.01493395 0.00503346 -0.00674006
-7.77722250 -3.73474319 2.77559580
-0.00010443 -0.00031046 -0.00024223
0.00018136 -0.01093440 0.00632034
2.47457670 -0.00370546 9.60222686
0.00022149 -0.00006250 -0.00025088
-0.04389380 0.03615837 -0.00370151
-31.34981862 1.35956892 3.53026115
0.00001281 -0.00025986 0.00016471
-0.01269776 -0.00394259 0.01700556
16.63091060 13.25099425 -17.63851499
0.00040291 0.00026797 0.00015811
0.02160107 0.02693230 0.01291599
-3.42371758 4.81382149 3.79154176
-0.00015838 -0.00023197 -0.00046562
-0.01926381 -0.02643330 -0.04197195
4.85096261 17.32623050 -6.79422374
0.00001567 -0.00004758 -0.00020491
-0.00915928 0.01796713 0.07530444
8.32280018 7.63675822 -21.36800995
-0.00013152 0.00037653 -0.00023389
-0.01082905 0.01538736 0.02173901
20.21180203 18.88358625 -5.29902885
0.00045814 -0.00004027 0.00000627
-0.00322962 -0.01824701 -0.00978624
1.95557511 14.57253400 -21.36582730
-0.00026944 -0.00018286 0.00009988
-0.00675784 0.00694563 -0.00089521
10.63923821 -5.49408315 0.02706972
0.00021983 0.00006484 0.00002212
-0.02363190 -0.01238429 -0.00891418
-16.43159279 -5.64561600 4.72869511
0.00014408 -0.00011895 -0.00008205
0.00602627 0.00986062 -0.01502778
-14.20186078 -1.41514667 20.71197976
-0.00000358 0.00017594 0.00002920
-0.00411221 -0.00017153 0.01803811
0.44731553 3.66186721 -4.84443347
-0.00039118 -0.00002806 0.00003303
0.01771328 0.00424882 -0.01037230
20.60041410 -9.56763548 -4.47037500
-0.00028128 0.00011713 -0.00058342
0.00532972 -0.00526187 0.00769348
2.70133266 -10.84797340 6.76922718
-0.00033967 0.00015559 -0.00004418
0.01293993 0.00529762 -0.03152204
-1.99476231 -1.84745016 -19.30347131
-0.00035029 0.00003015 0.00024531
0.00888738 0.03594419 0.01326264
-0.65093562 5.44161727 -11.35943162
-0.00020444 0.00033250 -0.00003161
-0.06738242 -0.02757286 0.03853200
-4.85646563 15.54816020 14.03187256
-0.00000887 -0.00003017 0.00055436
-0.00553967 -0.03646445 -0.01582714
-4.97342639 3.26914829 -8.14810450
0.00004948 0.00034837 -0.00003681
0.00629578 0.02222042 0.04810574
-8.44263332 -0.02194631 -4.17403366
0.00010252 -0.00021990 0.00044179
-0.02815867 -0.02911141 0.01192598
3.05734920 27.63393608 5.59337593
-0.00002134 -0.00029338 0.00003802
0.00965228 -0.02310950 0.01351532
8.52910688 -9.62012665 -2.08789941
-0.00035848 -0.00010341 0.00004653
0.02499931 -0.01073529 0.00733689
-6.17024904 1.23282210 10.05406049
0.00013777 -0.00027299 -0.00007511
-0.00988533 0.03360447 0.00705477
19.90348981 9.55654979 5.78040191
0.00022904 0.00001047 -0.00042005
0.04431278 0.00540168 0.00155833
-3.39711937 0.50818030 -24.26523634
0.00008522 -0.00011090 0.00024244
-0.02606907 -0.00147090 -0.00575590
-13.70629936 8.51743914 9.35875424
-0.00013665 0.00000843 -0.00007002
0.00132894 0.00486803 -0.00445388
-13.55952210 5.63696720 -4.00528597
0.00035188 -0.00022598 -0.00011810
0.00101144 0.03995696 0.02834305
-3.77159821 -15.06449978 21.33135395
0.00001310 0.00000525 0.00002177
-0.00792348 -0.00285044 -0.00878222
-6.47020011 8.66200107 -6.29670606
-0.00020109 0.00003589 0.00026700
0.01850557 -0.02645401 -0.00938604
-19.68661536 30.60589760 1.39912406
0.00012827 0.00036663 0.00000547
-0.03941569 0.00604831 -0.01689282
10.18910241 3.85467019 8.06998133
-0.00008407 0.00046815 0.00012059
-0.01173077 -0.00687852 0.00033912
7.26466946 16.53004859 -11.58831227
-0.00019016 -0.00004787 0.00030281
-0.01085399 -0.00436258 0.00427536
14.11607823 4.21336061 -0.37825822
0.00011531 -0.00045461 0.00026139
-0.01909709 0.04863162 -0.00233951
-5.94794952 11.86952128 -1.33201116
-0.00016062 0.00017338 -0.00023129
0.01534951 0.03370893 -0.02933695
8.45010644 11.04127049 4.95199112
0.00000650 -0.00034430 0.00008080
0.00513531 0.04329128 -0.00807935
19.93350419 -11.21928928 -10.74256460
0.00013186 -0.00016474 -0.00007756
-0.00782416 0.02178562 0.00650156
19.29698267 -5.69275807 -0.06844767
0.00009892 0.00018517 0.00006404
0.00619611 -0.00156040 -0.02311482
15.77334000 7.53008570 9.67294164
-0.00021611 -0.00009607 0.00007098
-0.00638522 0.00909262 0.00301242
3.71669443 -14.64471598 16.60721101
0.00005951 -0.00017209 -0.00003856
0.03870333 -0.02352827 -0.01954912
-3.83542565 -2.40274417 -14.23764547
-0.00011899 0.00041825 -0.00044584
0.01676900 0.00807954 0.00079751
16.24677320 -6.41903995 -13.16308541
-0.00018650 -0.00017805 -0.00015289
-0.01027858 -0.01556743 -0.00750838
10.60931678 -4.59695986 6.74861673
0.00018603 -0.00007608 0.00029520
-0.02985329 0.01209417 -0.01038592
-19.65949059 0.96003324 25.29544327
-0.00002666 0.00012954 0.00020068
0.02965351 0.04208226 -0.00129798
23.93760281 -0.74528686 -7.39369877
-0.00008469 -0.00005101 0.00009040
0.00851436 0.00177040 -0.01664276
11.56605093 -9.74355260 -11.07931686
0.00012092 -0.00004078 0.00029589
-0.01643297 -0.01169669 -0.00752726
-9.79642519 -9.85185522 16.87330585
-0.00011746 0.00021765 0.00010768
0.04473462 -0.01125073 -0.02392137
7.30158118 -0.15386296 -28.66707894
-0.00005532 -0.00045406 -0.00000545
0.03104821 -0.00436122 0.01562642
12.62707984 17.85726718 12.28861974
0.00010632 0.00016878 0.00002204
-0.00113934 0.01575459 0.03687034
26.02492374 7.64839741 -11.15995391
-0.00004173 0.00023101 0.00009586
-0.00448328 -0.00531723 0.02339670
4.37200394 -29.80178622 -4.95622321
0.00020391 -0.00039216 0.00002175
-0.01457018 -0.00337866 0.01098249
3.04283204 -30.31353267 -2.08232496
-0.00069986 0.00038908 0.00055963
0.00914162 -0.00737322 -0.02574844
-9.52543790 2.58591633 -8.85590624
0.00036079 -0.00053491 0.00051853
-0.02852154 -0.00511808 -0.00530708
-11.60418765 2.89463037 -11.00922583
-0.00017857 0.00048349 -0.00062173
-0.00307078 0.00406619 -0.01515104
-36.90949145 3.61717100 3.03047523
-0.00006465 -0.00007152 0.00071257
0.00669401 0.00559201 0.00212477
-38.43924042 1.56619685 4.15727226
-0.00035918 -0.00049327 0.00029179
-0.02511767 -0.01202738 0.00234669
-9.15802060 -4.83928093 2.16043167
-0.00059111 -0.00016270 -0.00040508
-0.00057284 0.01017155 -0.01135935
-6.34430253 -4.88220136 2.72518523
0.00018329 0.00026954 0.00062170
-0.00233258 0.00608077 0.00329669
3.37783643 -1.13658178 8.60515592
-0.00028111 0.00065177 -0.00008888
0.02092749 -0.02465926 -0.02027362
1.36054247 0.89166056 8.34699353
-0.00026446 0.00015605 0.00045941
0.02215628 -0.01246747 0.02437894
-30.46705507 -0.25594038 3.30023142
-0.00002381 0.00100431 -0.00114940
-0.01357657 -0.00166883 0.00032215
-33.14351195 1.10460312 4.07751428
-0.00012794 -0.00014191 0.00057738
0.02713249 -0.00052841 -0.01370428
15.33471893 12.26318819 -18.32115527
-0.00091528 -0.00015892 0.00058197
-0.04010416 -0.01398835 -0.01547729
17.85063390 11.89219666 -17.55602581
-0.00049677 -0.00053035 -0.00071751
0.02211648 -0.00168129 0.00609051
-2.36135153 5.86630998 4.71438140
0.00017263 -0.00062670 -0.00036549
0.01992185 0.02966586 0.01924766
-3.43719443 5.56286779 2.04742658
0.00046032 -0.00019693 -0.00105064
0.00001302 -0.00833932 0.02523807
5.85578536 17.60739937 -8.19691900
-0.00003784 0.00036884 -0.00084575
0.03295354 -0.00246121 -0.05138008
5.82246411 18.24838452 -5.42948003
0.00081457 -0.00069231 0.00035687
-0.01642107 -0.01770580 -0.02544887
8.86580061 6.59481566 -22.75328349
0.00023089 0.00041915 -0.00038187
0.01731233 -0.00485433 -0.00384246
9.58682810 8.13129047 -20.03963361
0.00030050 0.00070725 -0.00049575
-0.00989058 -0.01622360 -0.02883470
19.45061676 20.28750734 -4.37642789
-0.00027201 0.00057333 0.00047617
0.01639745 0.00470048 -0.00324958
21.62303649 19.40622836 -6.42330485
0.00092271 0.00014121 0.00037401
-0.02030602 0.01166487 0.02077349
1.84516118 13.18414572 -20.14255011
0.00070268 0.00057064 0.00058312
-0.00667876 0.01073250 -0.01261232
0.25069901 15.26712712 -21.84027187
0.00034338 0.00042856 0.00053219
0.01142782 -0.01426944 0.01728846
9.77705830 -7.11501966 -0.59396662
0.00012861 0.00001710 -0.00019663
0.01461098 0.03055660 0.01080058
9.49247327 -4.02533642 -0.30502649
0.00059228 0.00047183 0.00004938
0.01293890 -0.02036591 0.00109421
-17.01146690 -6.37327312 6.28293291
-0.00011811 0.00031697 0.00047356
-0.01263262 -0.00104106 0.00162899
-17.80078118 -5.36624431 3.50413164
0.00014442 -0.00039901 -0.00113616
0.00670552 -0.01082606 0.01582815
-14.18321349 -0.94109279 18.95096203
-0.00016903 0.00048060 -0.00132995
-0.00934241 0.01066375 -0.00586524
-15.26736868 -0.28930649 21.71351486
-0.00034407 -0.00007066 0.00042434
0.00778075 -0.00560026 -0.01243760
-0.31746891 2.77765435 -3.50304702
-0.00070728 -0.00003033 -0.00058278
-0.02561439 -0.00315293 0.02828390
1.27058022 2.19811954 -5.56322955
0.00001023 -0.00011774 0.00070176
0.00560861 -0.00173799 -0.01677975
20.18040266 -8.82343292 -6.03428026
-0.00090222 0.00019332 0.00028083
-0.01926710 0.00936157 -0.01796955
22.36791578 -9.06300468 -4.41042004
-0.00122623 -0.00045817 0.00069187
0.00979761 -0.00468739 0.01002855
4.41084810 -11.39428062 6.30236305
0.00089760 -0.00115351 -0.00067340
-0.01551542 0.00029641 0.00471557
2.58594575 -10.99494850 8.53952457
0.00076202 0.00033402 0.00114335
0.00235808 -0.00622059 0.02743868
-2.25206261 -3.43140605 -20.05981260
0.00107623 -0.00113416 -0.00020420
-0.00583277 -0.02858657 -0.01831035
-3.07323537 -1.84966951 -17.83978722
0.00037715 -0.00031299 0.00017089
0.00083542 0.00100658 0.00954918
1.06245577 5.60358004 -11.12023098
0.00058315 0.00017009 0.00021086
0.06105188 0.01353153 -0.00097312
-1.16968977 4.67412775 -9.67211199
-0.00082073 0.00059482 -0.00043654
-0.00140058 0.01369151 -0.03710703
-4.02251967 16.98732169 14.63262328
0.00058188 0.00114444 0.00073343
0.01929946 0.03116653 0.02009993
-6.48160383 16.11965614 13.46094138
0.00028303 0.00025522 0.00035714
-0.01324056 0.00523354 0.00296190
-5.01044655 2.15932206 -6.68574714
0.00056463 0.00005379 0.00001542
0.00055545 0.00530870 -0.01012100
-5.17168934 2.29275176 -9.64568291
0.00003706 0.00073386 -0.00034828
-0.00494802 -0.01553622 -0.01990415
-9.06287759 -1.80319733 -4.39218600
0.00088694 -0.00015897 -0.00008867
0.01384917 0.03007762 0.00499895
-9.58838833 0.62720406 -2.83641912
0.00079516 -0.00028257 -0.00019007
0.01778817 -0.00216496 -0.01468128
2.61792667 28.93114931 4.45146658
0.00076350 0.00036551 -0.00122186
-0.00727750 0.02133748 -0.01653518
1.94006580 27.72140202 7.01368803
0.00015338 -0.00108240 -0.00053003
-0.00159095 0.00524570 0.00394457
6.77174043 -9.46386235 -2.14845714
0.00026011 0.00027483 0.00168642
-0.03844750 0.00621504 -0.00685346
8.72486553 -11.31072915 -1.38035205
-0.00087999 -0.00003282 -0.00106960
0.00577478 0.00040119 0.00316060
-5.36494854 0.00445081 9.03267334
-0.00109288 0.00008388 -0.00093858
0.01422203 -0.03457201 -0.01946429
-7.95488214 1.17408504 9.91147398
0.00065826 -0.00013116 -0.00016621
-0.01577691 -0.00686087 -0.00248664
19.02911840 9.64474410 7.37653616
-0.00002891 -0.00039136 0.00053792
0.00337027 -0.00342057 0.00769498
21.77733905 9.92536116 6.13972248
0.00086540 0.00009388 0.00068521
-0.04041170 -0.00184640 -0.00534710
-3.48834264 0.48781020 -22.43097827
-0.00029407 -0.00068920 -0.00129651
0.00657638 -0.00496588 -0.00077375
-5.19837484 0.28110720 -24.78479476
-0.00128270 0.00004474 -0.00068971
0.01560600 0.00820845 0.00595676
-12.67142107 9.69441293 10.32753977
0.00051990 0.00042074 -0.00104537
0.00102866 -0.00149954 -0.00169163
-13.96713218 9.44133335 7.74491211
-0.00024833 0.00020710 -0.00073560
0.00455684 -0.00363594 0.00450533
-13.41880759 4.08155206 -4.79145904
0.00001268 0.00070285 0.00027197
-0.00199374 -0.03528153 -0.02095483
-15.22899262 6.33677117 -4.29785494
-0.00022582 -0.00098363 0.00056153
-0.00023030 -0.00295892 -0.00989429
-5.41778726 -15.94870000 21.02776605
0.00033719 -0.00021963 0.00028932
0.01926887 -0.00059606 0.00002745
-2.87279774 -14.90729008 19.73341238
-0.00013596 0.00072110 0.00038435
-0.01181686 -0.00334461 0.00463441
-6.40311203 6.84048475 -6.65660463
0.00043744 -0.00015811 -0.00026356
-0.00154430 0.01471849 0.00165955
-8.21076178 9.13378001 -6.19231831
-0.00042508 0.00014559 -0.00122910
-0.01129323 0.00508889 0.00321920
-21.12853829 30.58472152 0.20404524
-0.00017795 -0.00070987 0.00061200
0.01184278 0.00195621 0.02222157
-18.36608967 30.07053323 0.32392409
-0.00089324 -0.00034758 0.00021458
0.02742311 -0.00445540 -0.00521069
8.85429100 3.05112552 6.98961421
-0.00081196 -0.00017650 -0.00060541
0.01722250 0.01359023 0.00854395
9.53742966 5.53649483 8.54463249
-0.00001625 -0.00068533 -0.00047180
0.00166896 -0.00070388 -0.00502824
8.38684430 17.67834775 -12.42260732
-0.00030808 0.00004787 -0.00052140
0.00635914 0.00717260 -0.00469218
8.33430389 15.04998593 -11.48244757
-0.00122288 -0.00011866 0.00010831
-0.00023449 -0.00346636 0.00477298
13.31539349 5.80934595 0.30093770
0.00080562 0.00067784 0.00081709
0.01433115 -0.01784288 -0.01848066
13.75299577 3.27211895 1.13206109
-0.00136812 0.00045493 0.00011806
0.00313919 -0.02476219 0.01374798
-4.80841691 12.52434677 -2.77078939
-0.00087081 0.00081335 0.00066916
-0.01898137 -0.03456662 0.03481432
-5.48151226 10.12845866 -0.88860864
-0.00024109 -0.00018529 0.00005284
0.00804013 0.01073567 -0.01011919
7.97408334 12.85308276 4.57499348
0.00078839 -0.00128564 -0.00024181
0.00866580 -0.03179804 0.00650625
10.31414288 10.94290470 4.58045025
0.00035794 -0.00096777 0.00008235
-0.01895186 -0.00407192 0.00559798
19.36317861 -10.42428684 -9.17145077
0.00077793 0.00050454 -0.00141980
0.00194697 -0.01130582 -0.01329317
20.55208159 -12.86556071 -10.33567603
-0.00043479 0.00095184 -0.00026880
0.00554019 -0.01293017 0.00358314
19.46603353 -5.10195150 -1.82760108
0.00088682 -0.00084655 0.00048801
0.00082722 -0.00087055 0.01027570
18.31126681 -7.22692974 -0.22898221
-0.00022007 -0.00007398 -0.00000616
-0.00582493 -0.00869578 0.00585394
14.45119032 8.75721951 9.27054244
-0.00108602 -0.00030860 0.00003156
0.01089429 -0.00582263 0.00713019
16.56053778 8.04140284 11.26303178
-0.00029556 0.00050331 0.00006390
-0.00892085 0.00038386 -0.00925958
2.77084838 -16.07009838 17.23339692
-0.00105672 0.00062738 -0.00079662
-0.02252933 0.00369604 0.00616146
3.16616092 -13.00607817 16.99295352
-0.00091204 0.00004470 0.00023546
-0.01750908 0.02186115 0.01403640
-4.71419917 -4.00093240 -13.71207302
-0.00067270 0.00094749 -0.00021349
-0.00278081 -0.00259317 -0.00523800
-2.20943204 -2.51102259 -13.40451585
0.00011322 -0.00058313 -0.00004785
-0.00322197 0.00261610 -0.00447455
16.35070537 -7.52539147 -14.67570483
0.00089393 -0.00015122 0.00064506
0.00207870 0.00077680 -0.00347523
17.24548537 -7.15821972 -11.82419555
0.00013367 0.00043216 0.00054204
0.00259149 -0.00354150 0.00381866
9.04043563 -4.22500894 5.76919552
-0.00039353 -0.00035506 0.00090303
0.01095858 -0.01441455 0.01421444
11.81291827 -3.86753326 5.61813984
-0.00162332 0.00042407 0.00008489
0.02229612 0.00081581 -0.00495296
-20.96601909 -0.21098251 25.11784113
-0.00046316 0.00061187 0.00108891
-0.03630529 -0.02240415 -0.00501998
-20.36198411 2.69538425 25.16605136
-0.00090376 -0.00069555 0.00027328
0.00704870 -0.02607477 0.00899765
25.01833804 -2.20286079 -7.01934312
0.00069213 0.00073371 -0.00062798
0.00026375 -0.00425060 -0.00398793
23.97549117 -0.56209936 -9.25945665
0.00000132 0.00025177 -0.00064815
0.00118889 0.00088730 0.00875988
12.21924491 -9.62143144 -9.41654833
-0.00072206 0.00123855 0.00053566
0.00452706 -0.00115837 0.02951505
12.66314812 -8.67941861 -12.00705297
0.00039118 -0.00038971 -0.00026748
0.01123464 0.01123899 -0.01727265
-8.62044588 -9.64952022 18.29412162
0.00086410 -0.00113252 -0.00016286
-0.01226088 -0.00196744 -0.00245066
-11.39633340 -9.24746875 17.27223533
0.00091073 0.00006994 0.00167880
-0.03037783 0.01024572 0.02162118
8.69669899 0.45370834 -29.75397468
-0.00007655 0.00094904 0.00038436
-0.01135313 0.00306746 -0.00351509
5.69332710 0.03774022 -29.41651642
0.00062743 -0.00060614 -0.00072647
-0.01314694 0.01034518 -0.01313582
12.61259229 19.66835942 12.57330943
-0.00003608 0.00081924 0.00089121
-0.00205391 -0.00423935 0.00289217
12.82317316 17.74185394 10.53784365
-0.00121332 -0.00002301 -0.00057993
0.00409335 -0.00590573 -0.03625916
27.81913204 7.65447573 -11.57760235
0.00055052 -0.00009271 -0.00014651
0.00300900 0.00331848 -0.00521206
26.00020588 7.41628390 -9.30912596
0.00112641 0.00112997 0.00013968
0.00139351 0.00763070 -0.00994017
-6.91377767 4.48371185 6.59635862
0.00023041 -0.00012987 -0.00017040
-0.00300941 0.00068818 -0.00584884
-8.78024208 8.62743737 3.87549011
0.00016927 -0.00015958 -0.00001712
-0.00449383 -0.00215833 -0.00275476
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08259708
0.33652633
448.40446649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4145655163 (a.u.)
total exchange computation time: 3.1028108597 s
-154.0680520200
-931.41900905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.792 s
total exchange = -52.4137796365 (a.u.)
total exchange computation time: 3.1049170494 s
-154.0748082000
Anderson extrapolation: theta=1.3430010894 (1.3430010894)
-931.41923679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4126118520 (a.u.)
total exchange computation time: 3.1042292118 s
-154.0845247874
Anderson extrapolation: theta=0.0505619253 (0.0505619253)
-931.41937126
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4124633557 (a.u.)
total exchange computation time: 3.1037890911 s
-154.0855872935
Anderson extrapolation: theta=1.9106454965 (1.9106454965)
-931.41937609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4121497374 (a.u.)
total exchange computation time: 3.1034181118 s
-154.0877761045
Anderson extrapolation: theta=0.2179168446 (0.2179168446)
-931.41938108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4120705623 (a.u.)
total exchange computation time: 3.1035459042 s
-154.0882801593
Anderson extrapolation: theta=1.8781028683 (1.8781028683)
-931.41938204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.797 s
total exchange = -52.4119413889 (a.u.)
total exchange computation time: 3.1079928875 s
-154.0890447586
Anderson extrapolation: theta=0.2819227411 (0.2819227411)
-931.41938325
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.795 s
total exchange = -52.4119263128 (a.u.)
total exchange computation time: 3.1057181358 s
-154.0890736968
Anderson extrapolation: theta=1.3062514228 (1.3062514228)
-931.41938356
31.108846 -22.504348 -251.100746
544.248613 1081.603524 -416.419468
575.357459 1059.099176 -667.520214
1377.791895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.793 s
total exchange = -52.4119241666 (a.u.)
total exchange computation time: 3.1083929539 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0648982558
ExchangeOperator: pair fraction: ispin=0: 0.1654299621
ExchangeOperator: bisection time: 1.794 s
total exchange = -52.4119241666 (a.u.)
total exchange computation time: 3.1058979034 s
[qbox] save md165.xml
SampleWriter: write time: 1.311 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1160.47 MB/s
[qbox] End of command stream
6122.72
2013-11-22T23:13:57Z