============================
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
Q0H-I6-J00.mira.i2b
2013-11-15T13:05:18Z
Task 0 of 4096 (0,0,0,0,0,0) R0E-M0-N08-J04
Task 1 of 4096 (0,0,0,0,0,1) R0E-M0-N08-J04
Task 2 of 4096 (0,0,0,0,0,2) R0E-M0-N08-J04
Task 3 of 4096 (0,0,0,0,0,3) R0E-M0-N08-J04
Task 4 of 4096 (0,0,0,0,0,4) R0E-M0-N08-J04
Task 5 of 4096 (0,0,0,0,0,5) R0E-M0-N08-J04
Task 6 of 4096 (0,0,0,0,0,6) R0E-M0-N08-J04
Task 7 of 4096 (0,0,0,0,0,7) R0E-M0-N08-J04
Task 8 of 4096 (0,0,0,0,0,8) R0E-M0-N08-J04
Task 9 of 4096 (0,0,0,0,0,9) R0E-M0-N08-J04
Task 10 of 4096 (0,0,0,0,0,10) R0E-M0-N08-J04
Task 11 of 4096 (0,0,0,0,0,11) R0E-M0-N08-J04
Task 12 of 4096 (0,0,0,0,0,12) R0E-M0-N08-J04
Task 13 of 4096 (0,0,0,0,0,13) R0E-M0-N08-J04
Task 14 of 4096 (0,0,0,0,0,14) R0E-M0-N08-J04
Task 15 of 4096 (0,0,0,0,0,15) R0E-M0-N08-J04
Task 16 of 4096 (0,0,0,0,1,0) R0E-M0-N08-J03
Task 17 of 4096 (0,0,0,0,1,1) R0E-M0-N08-J03
Task 18 of 4096 (0,0,0,0,1,2) R0E-M0-N08-J03
Task 19 of 4096 (0,0,0,0,1,3) R0E-M0-N08-J03
Task 20 of 4096 (0,0,0,0,1,4) R0E-M0-N08-J03
Task 21 of 4096 (0,0,0,0,1,5) R0E-M0-N08-J03
Task 22 of 4096 (0,0,0,0,1,6) R0E-M0-N08-J03
Task 23 of 4096 (0,0,0,0,1,7) R0E-M0-N08-J03
Task 24 of 4096 (0,0,0,0,1,8) R0E-M0-N08-J03
Task 25 of 4096 (0,0,0,0,1,9) R0E-M0-N08-J03
Task 26 of 4096 (0,0,0,0,1,10) R0E-M0-N08-J03
Task 27 of 4096 (0,0,0,0,1,11) R0E-M0-N08-J03
Task 28 of 4096 (0,0,0,0,1,12) R0E-M0-N08-J03
Task 29 of 4096 (0,0,0,0,1,13) R0E-M0-N08-J03
Task 30 of 4096 (0,0,0,0,1,14) R0E-M0-N08-J03
Task 31 of 4096 (0,0,0,0,1,15) R0E-M0-N08-J03
Task 32 of 4096 (0,0,0,1,0,0) R0E-M0-N08-J08
Task 33 of 4096 (0,0,0,1,0,1) R0E-M0-N08-J08
Task 34 of 4096 (0,0,0,1,0,2) R0E-M0-N08-J08
Task 35 of 4096 (0,0,0,1,0,3) R0E-M0-N08-J08
Task 36 of 4096 (0,0,0,1,0,4) R0E-M0-N08-J08
Task 37 of 4096 (0,0,0,1,0,5) R0E-M0-N08-J08
Task 38 of 4096 (0,0,0,1,0,6) R0E-M0-N08-J08
Task 39 of 4096 (0,0,0,1,0,7) R0E-M0-N08-J08
Task 40 of 4096 (0,0,0,1,0,8) R0E-M0-N08-J08
Task 41 of 4096 (0,0,0,1,0,9) R0E-M0-N08-J08
Task 42 of 4096 (0,0,0,1,0,10) R0E-M0-N08-J08
Task 43 of 4096 (0,0,0,1,0,11) R0E-M0-N08-J08
Task 44 of 4096 (0,0,0,1,0,12) R0E-M0-N08-J08
Task 45 of 4096 (0,0,0,1,0,13) R0E-M0-N08-J08
Task 46 of 4096 (0,0,0,1,0,14) R0E-M0-N08-J08
Task 47 of 4096 (0,0,0,1,0,15) R0E-M0-N08-J08
Task 48 of 4096 (0,0,0,1,1,0) R0E-M0-N08-J15
Task 49 of 4096 (0,0,0,1,1,1) R0E-M0-N08-J15
Task 50 of 4096 (0,0,0,1,1,2) R0E-M0-N08-J15
Task 51 of 4096 (0,0,0,1,1,3) R0E-M0-N08-J15
Task 52 of 4096 (0,0,0,1,1,4) R0E-M0-N08-J15
Task 53 of 4096 (0,0,0,1,1,5) R0E-M0-N08-J15
Task 54 of 4096 (0,0,0,1,1,6) R0E-M0-N08-J15
Task 55 of 4096 (0,0,0,1,1,7) R0E-M0-N08-J15
Task 56 of 4096 (0,0,0,1,1,8) R0E-M0-N08-J15
Task 57 of 4096 (0,0,0,1,1,9) R0E-M0-N08-J15
Task 58 of 4096 (0,0,0,1,1,10) R0E-M0-N08-J15
Task 59 of 4096 (0,0,0,1,1,11) R0E-M0-N08-J15
Task 60 of 4096 (0,0,0,1,1,12) R0E-M0-N08-J15
Task 61 of 4096 (0,0,0,1,1,13) R0E-M0-N08-J15
Task 62 of 4096 (0,0,0,1,1,14) R0E-M0-N08-J15
Task 63 of 4096 (0,0,0,1,1,15) R0E-M0-N08-J15
Task 64 of 4096 (0,0,0,2,0,0) R0E-M0-N10-J08
Task 65 of 4096 (0,0,0,2,0,1) R0E-M0-N10-J08
Task 66 of 4096 (0,0,0,2,0,2) R0E-M0-N10-J08
Task 67 of 4096 (0,0,0,2,0,3) R0E-M0-N10-J08
Task 68 of 4096 (0,0,0,2,0,4) R0E-M0-N10-J08
Task 69 of 4096 (0,0,0,2,0,5) R0E-M0-N10-J08
Task 70 of 4096 (0,0,0,2,0,6) R0E-M0-N10-J08
Task 71 of 4096 (0,0,0,2,0,7) R0E-M0-N10-J08
Task 72 of 4096 (0,0,0,2,0,8) R0E-M0-N10-J08
Task 73 of 4096 (0,0,0,2,0,9) R0E-M0-N10-J08
Task 74 of 4096 (0,0,0,2,0,10) R0E-M0-N10-J08
Task 75 of 4096 (0,0,0,2,0,11) R0E-M0-N10-J08
Task 76 of 4096 (0,0,0,2,0,12) R0E-M0-N10-J08
Task 77 of 4096 (0,0,0,2,0,13) R0E-M0-N10-J08
Task 78 of 4096 (0,0,0,2,0,14) R0E-M0-N10-J08
Task 79 of 4096 (0,0,0,2,0,15) R0E-M0-N10-J08
Task 80 of 4096 (0,0,0,2,1,0) R0E-M0-N10-J15
Task 81 of 4096 (0,0,0,2,1,1) R0E-M0-N10-J15
Task 82 of 4096 (0,0,0,2,1,2) R0E-M0-N10-J15
Task 83 of 4096 (0,0,0,2,1,3) R0E-M0-N10-J15
Task 84 of 4096 (0,0,0,2,1,4) R0E-M0-N10-J15
Task 85 of 4096 (0,0,0,2,1,5) R0E-M0-N10-J15
Task 86 of 4096 (0,0,0,2,1,6) R0E-M0-N10-J15
Task 87 of 4096 (0,0,0,2,1,7) R0E-M0-N10-J15
Task 88 of 4096 (0,0,0,2,1,8) R0E-M0-N10-J15
Task 89 of 4096 (0,0,0,2,1,9) R0E-M0-N10-J15
Task 90 of 4096 (0,0,0,2,1,10) R0E-M0-N10-J15
Task 91 of 4096 (0,0,0,2,1,11) R0E-M0-N10-J15
Task 92 of 4096 (0,0,0,2,1,12) R0E-M0-N10-J15
Task 93 of 4096 (0,0,0,2,1,13) R0E-M0-N10-J15
Task 94 of 4096 (0,0,0,2,1,14) R0E-M0-N10-J15
Task 95 of 4096 (0,0,0,2,1,15) R0E-M0-N10-J15
Task 96 of 4096 (0,0,0,3,0,0) R0E-M0-N10-J04
Task 97 of 4096 (0,0,0,3,0,1) R0E-M0-N10-J04
Task 98 of 4096 (0,0,0,3,0,2) R0E-M0-N10-J04
Task 99 of 4096 (0,0,0,3,0,3) R0E-M0-N10-J04
Task 100 of 4096 (0,0,0,3,0,4) R0E-M0-N10-J04
Task 101 of 4096 (0,0,0,3,0,5) R0E-M0-N10-J04
Task 102 of 4096 (0,0,0,3,0,6) R0E-M0-N10-J04
Task 103 of 4096 (0,0,0,3,0,7) R0E-M0-N10-J04
Task 104 of 4096 (0,0,0,3,0,8) R0E-M0-N10-J04
Task 105 of 4096 (0,0,0,3,0,9) R0E-M0-N10-J04
Task 106 of 4096 (0,0,0,3,0,10) R0E-M0-N10-J04
Task 107 of 4096 (0,0,0,3,0,11) R0E-M0-N10-J04
Task 108 of 4096 (0,0,0,3,0,12) R0E-M0-N10-J04
Task 109 of 4096 (0,0,0,3,0,13) R0E-M0-N10-J04
Task 110 of 4096 (0,0,0,3,0,14) R0E-M0-N10-J04
Task 111 of 4096 (0,0,0,3,0,15) R0E-M0-N10-J04
Task 112 of 4096 (0,0,0,3,1,0) R0E-M0-N10-J03
Task 113 of 4096 (0,0,0,3,1,1) R0E-M0-N10-J03
Task 114 of 4096 (0,0,0,3,1,2) R0E-M0-N10-J03
Task 115 of 4096 (0,0,0,3,1,3) R0E-M0-N10-J03
Task 116 of 4096 (0,0,0,3,1,4) R0E-M0-N10-J03
Task 117 of 4096 (0,0,0,3,1,5) R0E-M0-N10-J03
Task 118 of 4096 (0,0,0,3,1,6) R0E-M0-N10-J03
Task 119 of 4096 (0,0,0,3,1,7) R0E-M0-N10-J03
Task 120 of 4096 (0,0,0,3,1,8) R0E-M0-N10-J03
Task 121 of 4096 (0,0,0,3,1,9) R0E-M0-N10-J03
Task 122 of 4096 (0,0,0,3,1,10) R0E-M0-N10-J03
Task 123 of 4096 (0,0,0,3,1,11) R0E-M0-N10-J03
Task 124 of 4096 (0,0,0,3,1,12) R0E-M0-N10-J03
Task 125 of 4096 (0,0,0,3,1,13) R0E-M0-N10-J03
Task 126 of 4096 (0,0,0,3,1,14) R0E-M0-N10-J03
Task 127 of 4096 (0,0,0,3,1,15) R0E-M0-N10-J03
Task 128 of 4096 (0,0,1,0,0,0) R0E-M0-N08-J05
Task 129 of 4096 (0,0,1,0,0,1) R0E-M0-N08-J05
Task 130 of 4096 (0,0,1,0,0,2) R0E-M0-N08-J05
Task 131 of 4096 (0,0,1,0,0,3) R0E-M0-N08-J05
Task 132 of 4096 (0,0,1,0,0,4) R0E-M0-N08-J05
Task 133 of 4096 (0,0,1,0,0,5) R0E-M0-N08-J05
Task 134 of 4096 (0,0,1,0,0,6) R0E-M0-N08-J05
Task 135 of 4096 (0,0,1,0,0,7) R0E-M0-N08-J05
Task 136 of 4096 (0,0,1,0,0,8) R0E-M0-N08-J05
Task 137 of 4096 (0,0,1,0,0,9) R0E-M0-N08-J05
Task 138 of 4096 (0,0,1,0,0,10) R0E-M0-N08-J05
Task 139 of 4096 (0,0,1,0,0,11) R0E-M0-N08-J05
Task 140 of 4096 (0,0,1,0,0,12) R0E-M0-N08-J05
Task 141 of 4096 (0,0,1,0,0,13) R0E-M0-N08-J05
Task 142 of 4096 (0,0,1,0,0,14) R0E-M0-N08-J05
Task 143 of 4096 (0,0,1,0,0,15) R0E-M0-N08-J05
Task 144 of 4096 (0,0,1,0,1,0) R0E-M0-N08-J02
Task 145 of 4096 (0,0,1,0,1,1) R0E-M0-N08-J02
Task 146 of 4096 (0,0,1,0,1,2) R0E-M0-N08-J02
Task 147 of 4096 (0,0,1,0,1,3) R0E-M0-N08-J02
Task 148 of 4096 (0,0,1,0,1,4) R0E-M0-N08-J02
Task 149 of 4096 (0,0,1,0,1,5) R0E-M0-N08-J02
Task 150 of 4096 (0,0,1,0,1,6) R0E-M0-N08-J02
Task 151 of 4096 (0,0,1,0,1,7) R0E-M0-N08-J02
Task 152 of 4096 (0,0,1,0,1,8) R0E-M0-N08-J02
Task 153 of 4096 (0,0,1,0,1,9) R0E-M0-N08-J02
Task 154 of 4096 (0,0,1,0,1,10) R0E-M0-N08-J02
Task 155 of 4096 (0,0,1,0,1,11) R0E-M0-N08-J02
Task 156 of 4096 (0,0,1,0,1,12) R0E-M0-N08-J02
Task 157 of 4096 (0,0,1,0,1,13) R0E-M0-N08-J02
Task 158 of 4096 (0,0,1,0,1,14) R0E-M0-N08-J02
Task 159 of 4096 (0,0,1,0,1,15) R0E-M0-N08-J02
Task 160 of 4096 (0,0,1,1,0,0) R0E-M0-N08-J09
Task 161 of 4096 (0,0,1,1,0,1) R0E-M0-N08-J09
Task 162 of 4096 (0,0,1,1,0,2) R0E-M0-N08-J09
Task 163 of 4096 (0,0,1,1,0,3) R0E-M0-N08-J09
Task 164 of 4096 (0,0,1,1,0,4) R0E-M0-N08-J09
Task 165 of 4096 (0,0,1,1,0,5) R0E-M0-N08-J09
Task 166 of 4096 (0,0,1,1,0,6) R0E-M0-N08-J09
Task 167 of 4096 (0,0,1,1,0,7) R0E-M0-N08-J09
Task 168 of 4096 (0,0,1,1,0,8) R0E-M0-N08-J09
Task 169 of 4096 (0,0,1,1,0,9) R0E-M0-N08-J09
Task 170 of 4096 (0,0,1,1,0,10) R0E-M0-N08-J09
Task 171 of 4096 (0,0,1,1,0,11) R0E-M0-N08-J09
Task 172 of 4096 (0,0,1,1,0,12) R0E-M0-N08-J09
Task 173 of 4096 (0,0,1,1,0,13) R0E-M0-N08-J09
Task 174 of 4096 (0,0,1,1,0,14) R0E-M0-N08-J09
Task 175 of 4096 (0,0,1,1,0,15) R0E-M0-N08-J09
Task 176 of 4096 (0,0,1,1,1,0) R0E-M0-N08-J14
Task 177 of 4096 (0,0,1,1,1,1) R0E-M0-N08-J14
Task 178 of 4096 (0,0,1,1,1,2) R0E-M0-N08-J14
Task 179 of 4096 (0,0,1,1,1,3) R0E-M0-N08-J14
Task 180 of 4096 (0,0,1,1,1,4) R0E-M0-N08-J14
Task 181 of 4096 (0,0,1,1,1,5) R0E-M0-N08-J14
Task 182 of 4096 (0,0,1,1,1,6) R0E-M0-N08-J14
Task 183 of 4096 (0,0,1,1,1,7) R0E-M0-N08-J14
Task 184 of 4096 (0,0,1,1,1,8) R0E-M0-N08-J14
Task 185 of 4096 (0,0,1,1,1,9) R0E-M0-N08-J14
Task 186 of 4096 (0,0,1,1,1,10) R0E-M0-N08-J14
Task 187 of 4096 (0,0,1,1,1,11) R0E-M0-N08-J14
Task 188 of 4096 (0,0,1,1,1,12) R0E-M0-N08-J14
Task 189 of 4096 (0,0,1,1,1,13) R0E-M0-N08-J14
Task 190 of 4096 (0,0,1,1,1,14) R0E-M0-N08-J14
Task 191 of 4096 (0,0,1,1,1,15) R0E-M0-N08-J14
Task 192 of 4096 (0,0,1,2,0,0) R0E-M0-N10-J09
Task 193 of 4096 (0,0,1,2,0,1) R0E-M0-N10-J09
Task 194 of 4096 (0,0,1,2,0,2) R0E-M0-N10-J09
Task 195 of 4096 (0,0,1,2,0,3) R0E-M0-N10-J09
Task 196 of 4096 (0,0,1,2,0,4) R0E-M0-N10-J09
Task 197 of 4096 (0,0,1,2,0,5) R0E-M0-N10-J09
Task 198 of 4096 (0,0,1,2,0,6) R0E-M0-N10-J09
Task 199 of 4096 (0,0,1,2,0,7) R0E-M0-N10-J09
Task 200 of 4096 (0,0,1,2,0,8) R0E-M0-N10-J09
Task 201 of 4096 (0,0,1,2,0,9) R0E-M0-N10-J09
Task 202 of 4096 (0,0,1,2,0,10) R0E-M0-N10-J09
Task 203 of 4096 (0,0,1,2,0,11) R0E-M0-N10-J09
Task 204 of 4096 (0,0,1,2,0,12) R0E-M0-N10-J09
Task 205 of 4096 (0,0,1,2,0,13) R0E-M0-N10-J09
Task 206 of 4096 (0,0,1,2,0,14) R0E-M0-N10-J09
Task 207 of 4096 (0,0,1,2,0,15) R0E-M0-N10-J09
Task 208 of 4096 (0,0,1,2,1,0) R0E-M0-N10-J14
Task 209 of 4096 (0,0,1,2,1,1) R0E-M0-N10-J14
Task 210 of 4096 (0,0,1,2,1,2) R0E-M0-N10-J14
Task 211 of 4096 (0,0,1,2,1,3) R0E-M0-N10-J14
Task 212 of 4096 (0,0,1,2,1,4) R0E-M0-N10-J14
Task 213 of 4096 (0,0,1,2,1,5) R0E-M0-N10-J14
Task 214 of 4096 (0,0,1,2,1,6) R0E-M0-N10-J14
Task 215 of 4096 (0,0,1,2,1,7) R0E-M0-N10-J14
Task 216 of 4096 (0,0,1,2,1,8) R0E-M0-N10-J14
Task 217 of 4096 (0,0,1,2,1,9) R0E-M0-N10-J14
Task 218 of 4096 (0,0,1,2,1,10) R0E-M0-N10-J14
Task 219 of 4096 (0,0,1,2,1,11) R0E-M0-N10-J14
Task 220 of 4096 (0,0,1,2,1,12) R0E-M0-N10-J14
Task 221 of 4096 (0,0,1,2,1,13) R0E-M0-N10-J14
Task 222 of 4096 (0,0,1,2,1,14) R0E-M0-N10-J14
Task 223 of 4096 (0,0,1,2,1,15) R0E-M0-N10-J14
Task 224 of 4096 (0,0,1,3,0,0) R0E-M0-N10-J05
Task 225 of 4096 (0,0,1,3,0,1) R0E-M0-N10-J05
Task 226 of 4096 (0,0,1,3,0,2) R0E-M0-N10-J05
Task 227 of 4096 (0,0,1,3,0,3) R0E-M0-N10-J05
Task 228 of 4096 (0,0,1,3,0,4) R0E-M0-N10-J05
Task 229 of 4096 (0,0,1,3,0,5) R0E-M0-N10-J05
Task 230 of 4096 (0,0,1,3,0,6) R0E-M0-N10-J05
Task 231 of 4096 (0,0,1,3,0,7) R0E-M0-N10-J05
Task 232 of 4096 (0,0,1,3,0,8) R0E-M0-N10-J05
Task 233 of 4096 (0,0,1,3,0,9) R0E-M0-N10-J05
Task 234 of 4096 (0,0,1,3,0,10) R0E-M0-N10-J05
Task 235 of 4096 (0,0,1,3,0,11) R0E-M0-N10-J05
Task 236 of 4096 (0,0,1,3,0,12) R0E-M0-N10-J05
Task 237 of 4096 (0,0,1,3,0,13) R0E-M0-N10-J05
Task 238 of 4096 (0,0,1,3,0,14) R0E-M0-N10-J05
Task 239 of 4096 (0,0,1,3,0,15) R0E-M0-N10-J05
Task 240 of 4096 (0,0,1,3,1,0) R0E-M0-N10-J02
Task 241 of 4096 (0,0,1,3,1,1) R0E-M0-N10-J02
Task 242 of 4096 (0,0,1,3,1,2) R0E-M0-N10-J02
Task 243 of 4096 (0,0,1,3,1,3) R0E-M0-N10-J02
Task 244 of 4096 (0,0,1,3,1,4) R0E-M0-N10-J02
Task 245 of 4096 (0,0,1,3,1,5) R0E-M0-N10-J02
Task 246 of 4096 (0,0,1,3,1,6) R0E-M0-N10-J02
Task 247 of 4096 (0,0,1,3,1,7) R0E-M0-N10-J02
Task 248 of 4096 (0,0,1,3,1,8) R0E-M0-N10-J02
Task 249 of 4096 (0,0,1,3,1,9) R0E-M0-N10-J02
Task 250 of 4096 (0,0,1,3,1,10) R0E-M0-N10-J02
Task 251 of 4096 (0,0,1,3,1,11) R0E-M0-N10-J02
Task 252 of 4096 (0,0,1,3,1,12) R0E-M0-N10-J02
Task 253 of 4096 (0,0,1,3,1,13) R0E-M0-N10-J02
Task 254 of 4096 (0,0,1,3,1,14) R0E-M0-N10-J02
Task 255 of 4096 (0,0,1,3,1,15) R0E-M0-N10-J02
Task 256 of 4096 (0,0,2,0,0,0) R0E-M0-N09-J05
Task 257 of 4096 (0,0,2,0,0,1) R0E-M0-N09-J05
Task 258 of 4096 (0,0,2,0,0,2) R0E-M0-N09-J05
Task 259 of 4096 (0,0,2,0,0,3) R0E-M0-N09-J05
Task 260 of 4096 (0,0,2,0,0,4) R0E-M0-N09-J05
Task 261 of 4096 (0,0,2,0,0,5) R0E-M0-N09-J05
Task 262 of 4096 (0,0,2,0,0,6) R0E-M0-N09-J05
Task 263 of 4096 (0,0,2,0,0,7) R0E-M0-N09-J05
Task 264 of 4096 (0,0,2,0,0,8) R0E-M0-N09-J05
Task 265 of 4096 (0,0,2,0,0,9) R0E-M0-N09-J05
Task 266 of 4096 (0,0,2,0,0,10) R0E-M0-N09-J05
Task 267 of 4096 (0,0,2,0,0,11) R0E-M0-N09-J05
Task 268 of 4096 (0,0,2,0,0,12) R0E-M0-N09-J05
Task 269 of 4096 (0,0,2,0,0,13) R0E-M0-N09-J05
Task 270 of 4096 (0,0,2,0,0,14) R0E-M0-N09-J05
Task 271 of 4096 (0,0,2,0,0,15) R0E-M0-N09-J05
Task 272 of 4096 (0,0,2,0,1,0) R0E-M0-N09-J02
Task 273 of 4096 (0,0,2,0,1,1) R0E-M0-N09-J02
Task 274 of 4096 (0,0,2,0,1,2) R0E-M0-N09-J02
Task 275 of 4096 (0,0,2,0,1,3) R0E-M0-N09-J02
Task 276 of 4096 (0,0,2,0,1,4) R0E-M0-N09-J02
Task 277 of 4096 (0,0,2,0,1,5) R0E-M0-N09-J02
Task 278 of 4096 (0,0,2,0,1,6) R0E-M0-N09-J02
Task 279 of 4096 (0,0,2,0,1,7) R0E-M0-N09-J02
Task 280 of 4096 (0,0,2,0,1,8) R0E-M0-N09-J02
Task 281 of 4096 (0,0,2,0,1,9) R0E-M0-N09-J02
Task 282 of 4096 (0,0,2,0,1,10) R0E-M0-N09-J02
Task 283 of 4096 (0,0,2,0,1,11) R0E-M0-N09-J02
Task 284 of 4096 (0,0,2,0,1,12) R0E-M0-N09-J02
Task 285 of 4096 (0,0,2,0,1,13) R0E-M0-N09-J02
Task 286 of 4096 (0,0,2,0,1,14) R0E-M0-N09-J02
Task 287 of 4096 (0,0,2,0,1,15) R0E-M0-N09-J02
Task 288 of 4096 (0,0,2,1,0,0) R0E-M0-N09-J09
Task 289 of 4096 (0,0,2,1,0,1) R0E-M0-N09-J09
Task 290 of 4096 (0,0,2,1,0,2) R0E-M0-N09-J09
Task 291 of 4096 (0,0,2,1,0,3) R0E-M0-N09-J09
Task 292 of 4096 (0,0,2,1,0,4) R0E-M0-N09-J09
Task 293 of 4096 (0,0,2,1,0,5) R0E-M0-N09-J09
Task 294 of 4096 (0,0,2,1,0,6) R0E-M0-N09-J09
Task 295 of 4096 (0,0,2,1,0,7) R0E-M0-N09-J09
Task 296 of 4096 (0,0,2,1,0,8) R0E-M0-N09-J09
Task 297 of 4096 (0,0,2,1,0,9) R0E-M0-N09-J09
Task 298 of 4096 (0,0,2,1,0,10) R0E-M0-N09-J09
Task 299 of 4096 (0,0,2,1,0,11) R0E-M0-N09-J09
Task 300 of 4096 (0,0,2,1,0,12) R0E-M0-N09-J09
Task 301 of 4096 (0,0,2,1,0,13) R0E-M0-N09-J09
Task 302 of 4096 (0,0,2,1,0,14) R0E-M0-N09-J09
Task 303 of 4096 (0,0,2,1,0,15) R0E-M0-N09-J09
Task 304 of 4096 (0,0,2,1,1,0) R0E-M0-N09-J14
Task 305 of 4096 (0,0,2,1,1,1) R0E-M0-N09-J14
Task 306 of 4096 (0,0,2,1,1,2) R0E-M0-N09-J14
Task 307 of 4096 (0,0,2,1,1,3) R0E-M0-N09-J14
Task 308 of 4096 (0,0,2,1,1,4) R0E-M0-N09-J14
Task 309 of 4096 (0,0,2,1,1,5) R0E-M0-N09-J14
Task 310 of 4096 (0,0,2,1,1,6) R0E-M0-N09-J14
Task 311 of 4096 (0,0,2,1,1,7) R0E-M0-N09-J14
Task 312 of 4096 (0,0,2,1,1,8) R0E-M0-N09-J14
Task 313 of 4096 (0,0,2,1,1,9) R0E-M0-N09-J14
Task 314 of 4096 (0,0,2,1,1,10) R0E-M0-N09-J14
Task 315 of 4096 (0,0,2,1,1,11) R0E-M0-N09-J14
Task 316 of 4096 (0,0,2,1,1,12) R0E-M0-N09-J14
Task 317 of 4096 (0,0,2,1,1,13) R0E-M0-N09-J14
Task 318 of 4096 (0,0,2,1,1,14) R0E-M0-N09-J14
Task 319 of 4096 (0,0,2,1,1,15) R0E-M0-N09-J14
Task 320 of 4096 (0,0,2,2,0,0) R0E-M0-N11-J09
Task 321 of 4096 (0,0,2,2,0,1) R0E-M0-N11-J09
Task 322 of 4096 (0,0,2,2,0,2) R0E-M0-N11-J09
Task 323 of 4096 (0,0,2,2,0,3) R0E-M0-N11-J09
Task 324 of 4096 (0,0,2,2,0,4) R0E-M0-N11-J09
Task 325 of 4096 (0,0,2,2,0,5) R0E-M0-N11-J09
Task 326 of 4096 (0,0,2,2,0,6) R0E-M0-N11-J09
Task 327 of 4096 (0,0,2,2,0,7) R0E-M0-N11-J09
Task 328 of 4096 (0,0,2,2,0,8) R0E-M0-N11-J09
Task 329 of 4096 (0,0,2,2,0,9) R0E-M0-N11-J09
Task 330 of 4096 (0,0,2,2,0,10) R0E-M0-N11-J09
Task 331 of 4096 (0,0,2,2,0,11) R0E-M0-N11-J09
Task 332 of 4096 (0,0,2,2,0,12) R0E-M0-N11-J09
Task 333 of 4096 (0,0,2,2,0,13) R0E-M0-N11-J09
Task 334 of 4096 (0,0,2,2,0,14) R0E-M0-N11-J09
Task 335 of 4096 (0,0,2,2,0,15) R0E-M0-N11-J09
Task 336 of 4096 (0,0,2,2,1,0) R0E-M0-N11-J14
Task 337 of 4096 (0,0,2,2,1,1) R0E-M0-N11-J14
Task 338 of 4096 (0,0,2,2,1,2) R0E-M0-N11-J14
Task 339 of 4096 (0,0,2,2,1,3) R0E-M0-N11-J14
Task 340 of 4096 (0,0,2,2,1,4) R0E-M0-N11-J14
Task 341 of 4096 (0,0,2,2,1,5) R0E-M0-N11-J14
Task 342 of 4096 (0,0,2,2,1,6) R0E-M0-N11-J14
Task 343 of 4096 (0,0,2,2,1,7) R0E-M0-N11-J14
Task 344 of 4096 (0,0,2,2,1,8) R0E-M0-N11-J14
Task 345 of 4096 (0,0,2,2,1,9) R0E-M0-N11-J14
Task 346 of 4096 (0,0,2,2,1,10) R0E-M0-N11-J14
Task 347 of 4096 (0,0,2,2,1,11) R0E-M0-N11-J14
Task 348 of 4096 (0,0,2,2,1,12) R0E-M0-N11-J14
Task 349 of 4096 (0,0,2,2,1,13) R0E-M0-N11-J14
Task 350 of 4096 (0,0,2,2,1,14) R0E-M0-N11-J14
Task 351 of 4096 (0,0,2,2,1,15) R0E-M0-N11-J14
Task 352 of 4096 (0,0,2,3,0,0) R0E-M0-N11-J05
Task 353 of 4096 (0,0,2,3,0,1) R0E-M0-N11-J05
Task 354 of 4096 (0,0,2,3,0,2) R0E-M0-N11-J05
Task 355 of 4096 (0,0,2,3,0,3) R0E-M0-N11-J05
Task 356 of 4096 (0,0,2,3,0,4) R0E-M0-N11-J05
Task 357 of 4096 (0,0,2,3,0,5) R0E-M0-N11-J05
Task 358 of 4096 (0,0,2,3,0,6) R0E-M0-N11-J05
Task 359 of 4096 (0,0,2,3,0,7) R0E-M0-N11-J05
Task 360 of 4096 (0,0,2,3,0,8) R0E-M0-N11-J05
Task 361 of 4096 (0,0,2,3,0,9) R0E-M0-N11-J05
Task 362 of 4096 (0,0,2,3,0,10) R0E-M0-N11-J05
Task 363 of 4096 (0,0,2,3,0,11) R0E-M0-N11-J05
Task 364 of 4096 (0,0,2,3,0,12) R0E-M0-N11-J05
Task 365 of 4096 (0,0,2,3,0,13) R0E-M0-N11-J05
Task 366 of 4096 (0,0,2,3,0,14) R0E-M0-N11-J05
Task 367 of 4096 (0,0,2,3,0,15) R0E-M0-N11-J05
Task 368 of 4096 (0,0,2,3,1,0) R0E-M0-N11-J02
Task 369 of 4096 (0,0,2,3,1,1) R0E-M0-N11-J02
Task 370 of 4096 (0,0,2,3,1,2) R0E-M0-N11-J02
Task 371 of 4096 (0,0,2,3,1,3) R0E-M0-N11-J02
Task 372 of 4096 (0,0,2,3,1,4) R0E-M0-N11-J02
Task 373 of 4096 (0,0,2,3,1,5) R0E-M0-N11-J02
Task 374 of 4096 (0,0,2,3,1,6) R0E-M0-N11-J02
Task 375 of 4096 (0,0,2,3,1,7) R0E-M0-N11-J02
Task 376 of 4096 (0,0,2,3,1,8) R0E-M0-N11-J02
Task 377 of 4096 (0,0,2,3,1,9) R0E-M0-N11-J02
Task 378 of 4096 (0,0,2,3,1,10) R0E-M0-N11-J02
Task 379 of 4096 (0,0,2,3,1,11) R0E-M0-N11-J02
Task 380 of 4096 (0,0,2,3,1,12) R0E-M0-N11-J02
Task 381 of 4096 (0,0,2,3,1,13) R0E-M0-N11-J02
Task 382 of 4096 (0,0,2,3,1,14) R0E-M0-N11-J02
Task 383 of 4096 (0,0,2,3,1,15) R0E-M0-N11-J02
Task 384 of 4096 (0,0,3,0,0,0) R0E-M0-N09-J04
Task 385 of 4096 (0,0,3,0,0,1) R0E-M0-N09-J04
Task 386 of 4096 (0,0,3,0,0,2) R0E-M0-N09-J04
Task 387 of 4096 (0,0,3,0,0,3) R0E-M0-N09-J04
Task 388 of 4096 (0,0,3,0,0,4) R0E-M0-N09-J04
Task 389 of 4096 (0,0,3,0,0,5) R0E-M0-N09-J04
Task 390 of 4096 (0,0,3,0,0,6) R0E-M0-N09-J04
Task 391 of 4096 (0,0,3,0,0,7) R0E-M0-N09-J04
Task 392 of 4096 (0,0,3,0,0,8) R0E-M0-N09-J04
Task 393 of 4096 (0,0,3,0,0,9) R0E-M0-N09-J04
Task 394 of 4096 (0,0,3,0,0,10) R0E-M0-N09-J04
Task 395 of 4096 (0,0,3,0,0,11) R0E-M0-N09-J04
Task 396 of 4096 (0,0,3,0,0,12) R0E-M0-N09-J04
Task 397 of 4096 (0,0,3,0,0,13) R0E-M0-N09-J04
Task 398 of 4096 (0,0,3,0,0,14) R0E-M0-N09-J04
Task 399 of 4096 (0,0,3,0,0,15) R0E-M0-N09-J04
Task 400 of 4096 (0,0,3,0,1,0) R0E-M0-N09-J03
Task 401 of 4096 (0,0,3,0,1,1) R0E-M0-N09-J03
Task 402 of 4096 (0,0,3,0,1,2) R0E-M0-N09-J03
Task 403 of 4096 (0,0,3,0,1,3) R0E-M0-N09-J03
Task 404 of 4096 (0,0,3,0,1,4) R0E-M0-N09-J03
Task 405 of 4096 (0,0,3,0,1,5) R0E-M0-N09-J03
Task 406 of 4096 (0,0,3,0,1,6) R0E-M0-N09-J03
Task 407 of 4096 (0,0,3,0,1,7) R0E-M0-N09-J03
Task 408 of 4096 (0,0,3,0,1,8) R0E-M0-N09-J03
Task 409 of 4096 (0,0,3,0,1,9) R0E-M0-N09-J03
Task 410 of 4096 (0,0,3,0,1,10) R0E-M0-N09-J03
Task 411 of 4096 (0,0,3,0,1,11) R0E-M0-N09-J03
Task 412 of 4096 (0,0,3,0,1,12) R0E-M0-N09-J03
Task 413 of 4096 (0,0,3,0,1,13) R0E-M0-N09-J03
Task 414 of 4096 (0,0,3,0,1,14) R0E-M0-N09-J03
Task 415 of 4096 (0,0,3,0,1,15) R0E-M0-N09-J03
Task 416 of 4096 (0,0,3,1,0,0) R0E-M0-N09-J08
Task 417 of 4096 (0,0,3,1,0,1) R0E-M0-N09-J08
Task 418 of 4096 (0,0,3,1,0,2) R0E-M0-N09-J08
Task 419 of 4096 (0,0,3,1,0,3) R0E-M0-N09-J08
Task 420 of 4096 (0,0,3,1,0,4) R0E-M0-N09-J08
Task 421 of 4096 (0,0,3,1,0,5) R0E-M0-N09-J08
Task 422 of 4096 (0,0,3,1,0,6) R0E-M0-N09-J08
Task 423 of 4096 (0,0,3,1,0,7) R0E-M0-N09-J08
Task 424 of 4096 (0,0,3,1,0,8) R0E-M0-N09-J08
Task 425 of 4096 (0,0,3,1,0,9) R0E-M0-N09-J08
Task 426 of 4096 (0,0,3,1,0,10) R0E-M0-N09-J08
Task 427 of 4096 (0,0,3,1,0,11) R0E-M0-N09-J08
Task 428 of 4096 (0,0,3,1,0,12) R0E-M0-N09-J08
Task 429 of 4096 (0,0,3,1,0,13) R0E-M0-N09-J08
Task 430 of 4096 (0,0,3,1,0,14) R0E-M0-N09-J08
Task 431 of 4096 (0,0,3,1,0,15) R0E-M0-N09-J08
Task 432 of 4096 (0,0,3,1,1,0) R0E-M0-N09-J15
Task 433 of 4096 (0,0,3,1,1,1) R0E-M0-N09-J15
Task 434 of 4096 (0,0,3,1,1,2) R0E-M0-N09-J15
Task 435 of 4096 (0,0,3,1,1,3) R0E-M0-N09-J15
Task 436 of 4096 (0,0,3,1,1,4) R0E-M0-N09-J15
Task 437 of 4096 (0,0,3,1,1,5) R0E-M0-N09-J15
Task 438 of 4096 (0,0,3,1,1,6) R0E-M0-N09-J15
Task 439 of 4096 (0,0,3,1,1,7) R0E-M0-N09-J15
Task 440 of 4096 (0,0,3,1,1,8) R0E-M0-N09-J15
Task 441 of 4096 (0,0,3,1,1,9) R0E-M0-N09-J15
Task 442 of 4096 (0,0,3,1,1,10) R0E-M0-N09-J15
Task 443 of 4096 (0,0,3,1,1,11) R0E-M0-N09-J15
Task 444 of 4096 (0,0,3,1,1,12) R0E-M0-N09-J15
Task 445 of 4096 (0,0,3,1,1,13) R0E-M0-N09-J15
Task 446 of 4096 (0,0,3,1,1,14) R0E-M0-N09-J15
Task 447 of 4096 (0,0,3,1,1,15) R0E-M0-N09-J15
Task 448 of 4096 (0,0,3,2,0,0) R0E-M0-N11-J08
Task 449 of 4096 (0,0,3,2,0,1) R0E-M0-N11-J08
Task 450 of 4096 (0,0,3,2,0,2) R0E-M0-N11-J08
Task 451 of 4096 (0,0,3,2,0,3) R0E-M0-N11-J08
Task 452 of 4096 (0,0,3,2,0,4) R0E-M0-N11-J08
Task 453 of 4096 (0,0,3,2,0,5) R0E-M0-N11-J08
Task 454 of 4096 (0,0,3,2,0,6) R0E-M0-N11-J08
Task 455 of 4096 (0,0,3,2,0,7) R0E-M0-N11-J08
Task 456 of 4096 (0,0,3,2,0,8) R0E-M0-N11-J08
Task 457 of 4096 (0,0,3,2,0,9) R0E-M0-N11-J08
Task 458 of 4096 (0,0,3,2,0,10) R0E-M0-N11-J08
Task 459 of 4096 (0,0,3,2,0,11) R0E-M0-N11-J08
Task 460 of 4096 (0,0,3,2,0,12) R0E-M0-N11-J08
Task 461 of 4096 (0,0,3,2,0,13) R0E-M0-N11-J08
Task 462 of 4096 (0,0,3,2,0,14) R0E-M0-N11-J08
Task 463 of 4096 (0,0,3,2,0,15) R0E-M0-N11-J08
Task 464 of 4096 (0,0,3,2,1,0) R0E-M0-N11-J15
Task 465 of 4096 (0,0,3,2,1,1) R0E-M0-N11-J15
Task 466 of 4096 (0,0,3,2,1,2) R0E-M0-N11-J15
Task 467 of 4096 (0,0,3,2,1,3) R0E-M0-N11-J15
Task 468 of 4096 (0,0,3,2,1,4) R0E-M0-N11-J15
Task 469 of 4096 (0,0,3,2,1,5) R0E-M0-N11-J15
Task 470 of 4096 (0,0,3,2,1,6) R0E-M0-N11-J15
Task 471 of 4096 (0,0,3,2,1,7) R0E-M0-N11-J15
Task 472 of 4096 (0,0,3,2,1,8) R0E-M0-N11-J15
Task 473 of 4096 (0,0,3,2,1,9) R0E-M0-N11-J15
Task 474 of 4096 (0,0,3,2,1,10) R0E-M0-N11-J15
Task 475 of 4096 (0,0,3,2,1,11) R0E-M0-N11-J15
Task 476 of 4096 (0,0,3,2,1,12) R0E-M0-N11-J15
Task 477 of 4096 (0,0,3,2,1,13) R0E-M0-N11-J15
Task 478 of 4096 (0,0,3,2,1,14) R0E-M0-N11-J15
Task 479 of 4096 (0,0,3,2,1,15) R0E-M0-N11-J15
Task 480 of 4096 (0,0,3,3,0,0) R0E-M0-N11-J04
Task 481 of 4096 (0,0,3,3,0,1) R0E-M0-N11-J04
Task 482 of 4096 (0,0,3,3,0,2) R0E-M0-N11-J04
Task 483 of 4096 (0,0,3,3,0,3) R0E-M0-N11-J04
Task 484 of 4096 (0,0,3,3,0,4) R0E-M0-N11-J04
Task 485 of 4096 (0,0,3,3,0,5) R0E-M0-N11-J04
Task 486 of 4096 (0,0,3,3,0,6) R0E-M0-N11-J04
Task 487 of 4096 (0,0,3,3,0,7) R0E-M0-N11-J04
Task 488 of 4096 (0,0,3,3,0,8) R0E-M0-N11-J04
Task 489 of 4096 (0,0,3,3,0,9) R0E-M0-N11-J04
Task 490 of 4096 (0,0,3,3,0,10) R0E-M0-N11-J04
Task 491 of 4096 (0,0,3,3,0,11) R0E-M0-N11-J04
Task 492 of 4096 (0,0,3,3,0,12) R0E-M0-N11-J04
Task 493 of 4096 (0,0,3,3,0,13) R0E-M0-N11-J04
Task 494 of 4096 (0,0,3,3,0,14) R0E-M0-N11-J04
Task 495 of 4096 (0,0,3,3,0,15) R0E-M0-N11-J04
Task 496 of 4096 (0,0,3,3,1,0) R0E-M0-N11-J03
Task 497 of 4096 (0,0,3,3,1,1) R0E-M0-N11-J03
Task 498 of 4096 (0,0,3,3,1,2) R0E-M0-N11-J03
Task 499 of 4096 (0,0,3,3,1,3) R0E-M0-N11-J03
Task 500 of 4096 (0,0,3,3,1,4) R0E-M0-N11-J03
Task 501 of 4096 (0,0,3,3,1,5) R0E-M0-N11-J03
Task 502 of 4096 (0,0,3,3,1,6) R0E-M0-N11-J03
Task 503 of 4096 (0,0,3,3,1,7) R0E-M0-N11-J03
Task 504 of 4096 (0,0,3,3,1,8) R0E-M0-N11-J03
Task 505 of 4096 (0,0,3,3,1,9) R0E-M0-N11-J03
Task 506 of 4096 (0,0,3,3,1,10) R0E-M0-N11-J03
Task 507 of 4096 (0,0,3,3,1,11) R0E-M0-N11-J03
Task 508 of 4096 (0,0,3,3,1,12) R0E-M0-N11-J03
Task 509 of 4096 (0,0,3,3,1,13) R0E-M0-N11-J03
Task 510 of 4096 (0,0,3,3,1,14) R0E-M0-N11-J03
Task 511 of 4096 (0,0,3,3,1,15) R0E-M0-N11-J03
Task 512 of 4096 (0,1,0,0,0,0) R0E-M0-N08-J07
Task 513 of 4096 (0,1,0,0,0,1) R0E-M0-N08-J07
Task 514 of 4096 (0,1,0,0,0,2) R0E-M0-N08-J07
Task 515 of 4096 (0,1,0,0,0,3) R0E-M0-N08-J07
Task 516 of 4096 (0,1,0,0,0,4) R0E-M0-N08-J07
Task 517 of 4096 (0,1,0,0,0,5) R0E-M0-N08-J07
Task 518 of 4096 (0,1,0,0,0,6) R0E-M0-N08-J07
Task 519 of 4096 (0,1,0,0,0,7) R0E-M0-N08-J07
Task 520 of 4096 (0,1,0,0,0,8) R0E-M0-N08-J07
Task 521 of 4096 (0,1,0,0,0,9) R0E-M0-N08-J07
Task 522 of 4096 (0,1,0,0,0,10) R0E-M0-N08-J07
Task 523 of 4096 (0,1,0,0,0,11) R0E-M0-N08-J07
Task 524 of 4096 (0,1,0,0,0,12) R0E-M0-N08-J07
Task 525 of 4096 (0,1,0,0,0,13) R0E-M0-N08-J07
Task 526 of 4096 (0,1,0,0,0,14) R0E-M0-N08-J07
Task 527 of 4096 (0,1,0,0,0,15) R0E-M0-N08-J07
Task 528 of 4096 (0,1,0,0,1,0) R0E-M0-N08-J00
Task 529 of 4096 (0,1,0,0,1,1) R0E-M0-N08-J00
Task 530 of 4096 (0,1,0,0,1,2) R0E-M0-N08-J00
Task 531 of 4096 (0,1,0,0,1,3) R0E-M0-N08-J00
Task 532 of 4096 (0,1,0,0,1,4) R0E-M0-N08-J00
Task 533 of 4096 (0,1,0,0,1,5) R0E-M0-N08-J00
Task 534 of 4096 (0,1,0,0,1,6) R0E-M0-N08-J00
Task 535 of 4096 (0,1,0,0,1,7) R0E-M0-N08-J00
Task 536 of 4096 (0,1,0,0,1,8) R0E-M0-N08-J00
Task 537 of 4096 (0,1,0,0,1,9) R0E-M0-N08-J00
Task 538 of 4096 (0,1,0,0,1,10) R0E-M0-N08-J00
Task 539 of 4096 (0,1,0,0,1,11) R0E-M0-N08-J00
Task 540 of 4096 (0,1,0,0,1,12) R0E-M0-N08-J00
Task 541 of 4096 (0,1,0,0,1,13) R0E-M0-N08-J00
Task 542 of 4096 (0,1,0,0,1,14) R0E-M0-N08-J00
Task 543 of 4096 (0,1,0,0,1,15) R0E-M0-N08-J00
Task 544 of 4096 (0,1,0,1,0,0) R0E-M0-N08-J11
Task 545 of 4096 (0,1,0,1,0,1) R0E-M0-N08-J11
Task 546 of 4096 (0,1,0,1,0,2) R0E-M0-N08-J11
Task 547 of 4096 (0,1,0,1,0,3) R0E-M0-N08-J11
Task 548 of 4096 (0,1,0,1,0,4) R0E-M0-N08-J11
Task 549 of 4096 (0,1,0,1,0,5) R0E-M0-N08-J11
Task 550 of 4096 (0,1,0,1,0,6) R0E-M0-N08-J11
Task 551 of 4096 (0,1,0,1,0,7) R0E-M0-N08-J11
Task 552 of 4096 (0,1,0,1,0,8) R0E-M0-N08-J11
Task 553 of 4096 (0,1,0,1,0,9) R0E-M0-N08-J11
Task 554 of 4096 (0,1,0,1,0,10) R0E-M0-N08-J11
Task 555 of 4096 (0,1,0,1,0,11) R0E-M0-N08-J11
Task 556 of 4096 (0,1,0,1,0,12) R0E-M0-N08-J11
Task 557 of 4096 (0,1,0,1,0,13) R0E-M0-N08-J11
Task 558 of 4096 (0,1,0,1,0,14) R0E-M0-N08-J11
Task 559 of 4096 (0,1,0,1,0,15) R0E-M0-N08-J11
Task 560 of 4096 (0,1,0,1,1,0) R0E-M0-N08-J12
Task 561 of 4096 (0,1,0,1,1,1) R0E-M0-N08-J12
Task 562 of 4096 (0,1,0,1,1,2) R0E-M0-N08-J12
Task 563 of 4096 (0,1,0,1,1,3) R0E-M0-N08-J12
Task 564 of 4096 (0,1,0,1,1,4) R0E-M0-N08-J12
Task 565 of 4096 (0,1,0,1,1,5) R0E-M0-N08-J12
Task 566 of 4096 (0,1,0,1,1,6) R0E-M0-N08-J12
Task 567 of 4096 (0,1,0,1,1,7) R0E-M0-N08-J12
Task 568 of 4096 (0,1,0,1,1,8) R0E-M0-N08-J12
Task 569 of 4096 (0,1,0,1,1,9) R0E-M0-N08-J12
Task 570 of 4096 (0,1,0,1,1,10) R0E-M0-N08-J12
Task 571 of 4096 (0,1,0,1,1,11) R0E-M0-N08-J12
Task 572 of 4096 (0,1,0,1,1,12) R0E-M0-N08-J12
Task 573 of 4096 (0,1,0,1,1,13) R0E-M0-N08-J12
Task 574 of 4096 (0,1,0,1,1,14) R0E-M0-N08-J12
Task 575 of 4096 (0,1,0,1,1,15) R0E-M0-N08-J12
Task 576 of 4096 (0,1,0,2,0,0) R0E-M0-N10-J11
Task 577 of 4096 (0,1,0,2,0,1) R0E-M0-N10-J11
Task 578 of 4096 (0,1,0,2,0,2) R0E-M0-N10-J11
Task 579 of 4096 (0,1,0,2,0,3) R0E-M0-N10-J11
Task 580 of 4096 (0,1,0,2,0,4) R0E-M0-N10-J11
Task 581 of 4096 (0,1,0,2,0,5) R0E-M0-N10-J11
Task 582 of 4096 (0,1,0,2,0,6) R0E-M0-N10-J11
Task 583 of 4096 (0,1,0,2,0,7) R0E-M0-N10-J11
Task 584 of 4096 (0,1,0,2,0,8) R0E-M0-N10-J11
Task 585 of 4096 (0,1,0,2,0,9) R0E-M0-N10-J11
Task 586 of 4096 (0,1,0,2,0,10) R0E-M0-N10-J11
Task 587 of 4096 (0,1,0,2,0,11) R0E-M0-N10-J11
Task 588 of 4096 (0,1,0,2,0,12) R0E-M0-N10-J11
Task 589 of 4096 (0,1,0,2,0,13) R0E-M0-N10-J11
Task 590 of 4096 (0,1,0,2,0,14) R0E-M0-N10-J11
Task 591 of 4096 (0,1,0,2,0,15) R0E-M0-N10-J11
Task 592 of 4096 (0,1,0,2,1,0) R0E-M0-N10-J12
Task 593 of 4096 (0,1,0,2,1,1) R0E-M0-N10-J12
Task 594 of 4096 (0,1,0,2,1,2) R0E-M0-N10-J12
Task 595 of 4096 (0,1,0,2,1,3) R0E-M0-N10-J12
Task 596 of 4096 (0,1,0,2,1,4) R0E-M0-N10-J12
Task 597 of 4096 (0,1,0,2,1,5) R0E-M0-N10-J12
Task 598 of 4096 (0,1,0,2,1,6) R0E-M0-N10-J12
Task 599 of 4096 (0,1,0,2,1,7) R0E-M0-N10-J12
Task 600 of 4096 (0,1,0,2,1,8) R0E-M0-N10-J12
Task 601 of 4096 (0,1,0,2,1,9) R0E-M0-N10-J12
Task 602 of 4096 (0,1,0,2,1,10) R0E-M0-N10-J12
Task 603 of 4096 (0,1,0,2,1,11) R0E-M0-N10-J12
Task 604 of 4096 (0,1,0,2,1,12) R0E-M0-N10-J12
Task 605 of 4096 (0,1,0,2,1,13) R0E-M0-N10-J12
Task 606 of 4096 (0,1,0,2,1,14) R0E-M0-N10-J12
Task 607 of 4096 (0,1,0,2,1,15) R0E-M0-N10-J12
Task 608 of 4096 (0,1,0,3,0,0) R0E-M0-N10-J07
Task 609 of 4096 (0,1,0,3,0,1) R0E-M0-N10-J07
Task 610 of 4096 (0,1,0,3,0,2) R0E-M0-N10-J07
Task 611 of 4096 (0,1,0,3,0,3) R0E-M0-N10-J07
Task 612 of 4096 (0,1,0,3,0,4) R0E-M0-N10-J07
Task 613 of 4096 (0,1,0,3,0,5) R0E-M0-N10-J07
Task 614 of 4096 (0,1,0,3,0,6) R0E-M0-N10-J07
Task 615 of 4096 (0,1,0,3,0,7) R0E-M0-N10-J07
Task 616 of 4096 (0,1,0,3,0,8) R0E-M0-N10-J07
Task 617 of 4096 (0,1,0,3,0,9) R0E-M0-N10-J07
Task 618 of 4096 (0,1,0,3,0,10) R0E-M0-N10-J07
Task 619 of 4096 (0,1,0,3,0,11) R0E-M0-N10-J07
Task 620 of 4096 (0,1,0,3,0,12) R0E-M0-N10-J07
Task 621 of 4096 (0,1,0,3,0,13) R0E-M0-N10-J07
Task 622 of 4096 (0,1,0,3,0,14) R0E-M0-N10-J07
Task 623 of 4096 (0,1,0,3,0,15) R0E-M0-N10-J07
Task 624 of 4096 (0,1,0,3,1,0) R0E-M0-N10-J00
Task 625 of 4096 (0,1,0,3,1,1) R0E-M0-N10-J00
Task 626 of 4096 (0,1,0,3,1,2) R0E-M0-N10-J00
Task 627 of 4096 (0,1,0,3,1,3) R0E-M0-N10-J00
Task 628 of 4096 (0,1,0,3,1,4) R0E-M0-N10-J00
Task 629 of 4096 (0,1,0,3,1,5) R0E-M0-N10-J00
Task 630 of 4096 (0,1,0,3,1,6) R0E-M0-N10-J00
Task 631 of 4096 (0,1,0,3,1,7) R0E-M0-N10-J00
Task 632 of 4096 (0,1,0,3,1,8) R0E-M0-N10-J00
Task 633 of 4096 (0,1,0,3,1,9) R0E-M0-N10-J00
Task 634 of 4096 (0,1,0,3,1,10) R0E-M0-N10-J00
Task 635 of 4096 (0,1,0,3,1,11) R0E-M0-N10-J00
Task 636 of 4096 (0,1,0,3,1,12) R0E-M0-N10-J00
Task 637 of 4096 (0,1,0,3,1,13) R0E-M0-N10-J00
Task 638 of 4096 (0,1,0,3,1,14) R0E-M0-N10-J00
Task 639 of 4096 (0,1,0,3,1,15) R0E-M0-N10-J00
Task 640 of 4096 (0,1,1,0,0,0) R0E-M0-N08-J06
Task 641 of 4096 (0,1,1,0,0,1) R0E-M0-N08-J06
Task 642 of 4096 (0,1,1,0,0,2) R0E-M0-N08-J06
Task 643 of 4096 (0,1,1,0,0,3) R0E-M0-N08-J06
Task 644 of 4096 (0,1,1,0,0,4) R0E-M0-N08-J06
Task 645 of 4096 (0,1,1,0,0,5) R0E-M0-N08-J06
Task 646 of 4096 (0,1,1,0,0,6) R0E-M0-N08-J06
Task 647 of 4096 (0,1,1,0,0,7) R0E-M0-N08-J06
Task 648 of 4096 (0,1,1,0,0,8) R0E-M0-N08-J06
Task 649 of 4096 (0,1,1,0,0,9) R0E-M0-N08-J06
Task 650 of 4096 (0,1,1,0,0,10) R0E-M0-N08-J06
Task 651 of 4096 (0,1,1,0,0,11) R0E-M0-N08-J06
Task 652 of 4096 (0,1,1,0,0,12) R0E-M0-N08-J06
Task 653 of 4096 (0,1,1,0,0,13) R0E-M0-N08-J06
Task 654 of 4096 (0,1,1,0,0,14) R0E-M0-N08-J06
Task 655 of 4096 (0,1,1,0,0,15) R0E-M0-N08-J06
Task 656 of 4096 (0,1,1,0,1,0) R0E-M0-N08-J01
Task 657 of 4096 (0,1,1,0,1,1) R0E-M0-N08-J01
Task 658 of 4096 (0,1,1,0,1,2) R0E-M0-N08-J01
Task 659 of 4096 (0,1,1,0,1,3) R0E-M0-N08-J01
Task 660 of 4096 (0,1,1,0,1,4) R0E-M0-N08-J01
Task 661 of 4096 (0,1,1,0,1,5) R0E-M0-N08-J01
Task 662 of 4096 (0,1,1,0,1,6) R0E-M0-N08-J01
Task 663 of 4096 (0,1,1,0,1,7) R0E-M0-N08-J01
Task 664 of 4096 (0,1,1,0,1,8) R0E-M0-N08-J01
Task 665 of 4096 (0,1,1,0,1,9) R0E-M0-N08-J01
Task 666 of 4096 (0,1,1,0,1,10) R0E-M0-N08-J01
Task 667 of 4096 (0,1,1,0,1,11) R0E-M0-N08-J01
Task 668 of 4096 (0,1,1,0,1,12) R0E-M0-N08-J01
Task 669 of 4096 (0,1,1,0,1,13) R0E-M0-N08-J01
Task 670 of 4096 (0,1,1,0,1,14) R0E-M0-N08-J01
Task 671 of 4096 (0,1,1,0,1,15) R0E-M0-N08-J01
Task 672 of 4096 (0,1,1,1,0,0) R0E-M0-N08-J10
Task 673 of 4096 (0,1,1,1,0,1) R0E-M0-N08-J10
Task 674 of 4096 (0,1,1,1,0,2) R0E-M0-N08-J10
Task 675 of 4096 (0,1,1,1,0,3) R0E-M0-N08-J10
Task 676 of 4096 (0,1,1,1,0,4) R0E-M0-N08-J10
Task 677 of 4096 (0,1,1,1,0,5) R0E-M0-N08-J10
Task 678 of 4096 (0,1,1,1,0,6) R0E-M0-N08-J10
Task 679 of 4096 (0,1,1,1,0,7) R0E-M0-N08-J10
Task 680 of 4096 (0,1,1,1,0,8) R0E-M0-N08-J10
Task 681 of 4096 (0,1,1,1,0,9) R0E-M0-N08-J10
Task 682 of 4096 (0,1,1,1,0,10) R0E-M0-N08-J10
Task 683 of 4096 (0,1,1,1,0,11) R0E-M0-N08-J10
Task 684 of 4096 (0,1,1,1,0,12) R0E-M0-N08-J10
Task 685 of 4096 (0,1,1,1,0,13) R0E-M0-N08-J10
Task 686 of 4096 (0,1,1,1,0,14) R0E-M0-N08-J10
Task 687 of 4096 (0,1,1,1,0,15) R0E-M0-N08-J10
Task 688 of 4096 (0,1,1,1,1,0) R0E-M0-N08-J13
Task 689 of 4096 (0,1,1,1,1,1) R0E-M0-N08-J13
Task 690 of 4096 (0,1,1,1,1,2) R0E-M0-N08-J13
Task 691 of 4096 (0,1,1,1,1,3) R0E-M0-N08-J13
Task 692 of 4096 (0,1,1,1,1,4) R0E-M0-N08-J13
Task 693 of 4096 (0,1,1,1,1,5) R0E-M0-N08-J13
Task 694 of 4096 (0,1,1,1,1,6) R0E-M0-N08-J13
Task 695 of 4096 (0,1,1,1,1,7) R0E-M0-N08-J13
Task 696 of 4096 (0,1,1,1,1,8) R0E-M0-N08-J13
Task 697 of 4096 (0,1,1,1,1,9) R0E-M0-N08-J13
Task 698 of 4096 (0,1,1,1,1,10) R0E-M0-N08-J13
Task 699 of 4096 (0,1,1,1,1,11) R0E-M0-N08-J13
Task 700 of 4096 (0,1,1,1,1,12) R0E-M0-N08-J13
Task 701 of 4096 (0,1,1,1,1,13) R0E-M0-N08-J13
Task 702 of 4096 (0,1,1,1,1,14) R0E-M0-N08-J13
Task 703 of 4096 (0,1,1,1,1,15) R0E-M0-N08-J13
Task 704 of 4096 (0,1,1,2,0,0) R0E-M0-N10-J10
Task 705 of 4096 (0,1,1,2,0,1) R0E-M0-N10-J10
Task 706 of 4096 (0,1,1,2,0,2) R0E-M0-N10-J10
Task 707 of 4096 (0,1,1,2,0,3) R0E-M0-N10-J10
Task 708 of 4096 (0,1,1,2,0,4) R0E-M0-N10-J10
Task 709 of 4096 (0,1,1,2,0,5) R0E-M0-N10-J10
Task 710 of 4096 (0,1,1,2,0,6) R0E-M0-N10-J10
Task 711 of 4096 (0,1,1,2,0,7) R0E-M0-N10-J10
Task 712 of 4096 (0,1,1,2,0,8) R0E-M0-N10-J10
Task 713 of 4096 (0,1,1,2,0,9) R0E-M0-N10-J10
Task 714 of 4096 (0,1,1,2,0,10) R0E-M0-N10-J10
Task 715 of 4096 (0,1,1,2,0,11) R0E-M0-N10-J10
Task 716 of 4096 (0,1,1,2,0,12) R0E-M0-N10-J10
Task 717 of 4096 (0,1,1,2,0,13) R0E-M0-N10-J10
Task 718 of 4096 (0,1,1,2,0,14) R0E-M0-N10-J10
Task 719 of 4096 (0,1,1,2,0,15) R0E-M0-N10-J10
Task 720 of 4096 (0,1,1,2,1,0) R0E-M0-N10-J13
Task 721 of 4096 (0,1,1,2,1,1) R0E-M0-N10-J13
Task 722 of 4096 (0,1,1,2,1,2) R0E-M0-N10-J13
Task 723 of 4096 (0,1,1,2,1,3) R0E-M0-N10-J13
Task 724 of 4096 (0,1,1,2,1,4) R0E-M0-N10-J13
Task 725 of 4096 (0,1,1,2,1,5) R0E-M0-N10-J13
Task 726 of 4096 (0,1,1,2,1,6) R0E-M0-N10-J13
Task 727 of 4096 (0,1,1,2,1,7) R0E-M0-N10-J13
Task 728 of 4096 (0,1,1,2,1,8) R0E-M0-N10-J13
Task 729 of 4096 (0,1,1,2,1,9) R0E-M0-N10-J13
Task 730 of 4096 (0,1,1,2,1,10) R0E-M0-N10-J13
Task 731 of 4096 (0,1,1,2,1,11) R0E-M0-N10-J13
Task 732 of 4096 (0,1,1,2,1,12) R0E-M0-N10-J13
Task 733 of 4096 (0,1,1,2,1,13) R0E-M0-N10-J13
Task 734 of 4096 (0,1,1,2,1,14) R0E-M0-N10-J13
Task 735 of 4096 (0,1,1,2,1,15) R0E-M0-N10-J13
Task 736 of 4096 (0,1,1,3,0,0) R0E-M0-N10-J06
Task 737 of 4096 (0,1,1,3,0,1) R0E-M0-N10-J06
Task 738 of 4096 (0,1,1,3,0,2) R0E-M0-N10-J06
Task 739 of 4096 (0,1,1,3,0,3) R0E-M0-N10-J06
Task 740 of 4096 (0,1,1,3,0,4) R0E-M0-N10-J06
Task 741 of 4096 (0,1,1,3,0,5) R0E-M0-N10-J06
Task 742 of 4096 (0,1,1,3,0,6) R0E-M0-N10-J06
Task 743 of 4096 (0,1,1,3,0,7) R0E-M0-N10-J06
Task 744 of 4096 (0,1,1,3,0,8) R0E-M0-N10-J06
Task 745 of 4096 (0,1,1,3,0,9) R0E-M0-N10-J06
Task 746 of 4096 (0,1,1,3,0,10) R0E-M0-N10-J06
Task 747 of 4096 (0,1,1,3,0,11) R0E-M0-N10-J06
Task 748 of 4096 (0,1,1,3,0,12) R0E-M0-N10-J06
Task 749 of 4096 (0,1,1,3,0,13) R0E-M0-N10-J06
Task 750 of 4096 (0,1,1,3,0,14) R0E-M0-N10-J06
Task 751 of 4096 (0,1,1,3,0,15) R0E-M0-N10-J06
Task 752 of 4096 (0,1,1,3,1,0) R0E-M0-N10-J01
Task 753 of 4096 (0,1,1,3,1,1) R0E-M0-N10-J01
Task 754 of 4096 (0,1,1,3,1,2) R0E-M0-N10-J01
Task 755 of 4096 (0,1,1,3,1,3) R0E-M0-N10-J01
Task 756 of 4096 (0,1,1,3,1,4) R0E-M0-N10-J01
Task 757 of 4096 (0,1,1,3,1,5) R0E-M0-N10-J01
Task 758 of 4096 (0,1,1,3,1,6) R0E-M0-N10-J01
Task 759 of 4096 (0,1,1,3,1,7) R0E-M0-N10-J01
Task 760 of 4096 (0,1,1,3,1,8) R0E-M0-N10-J01
Task 761 of 4096 (0,1,1,3,1,9) R0E-M0-N10-J01
Task 762 of 4096 (0,1,1,3,1,10) R0E-M0-N10-J01
Task 763 of 4096 (0,1,1,3,1,11) R0E-M0-N10-J01
Task 764 of 4096 (0,1,1,3,1,12) R0E-M0-N10-J01
Task 765 of 4096 (0,1,1,3,1,13) R0E-M0-N10-J01
Task 766 of 4096 (0,1,1,3,1,14) R0E-M0-N10-J01
Task 767 of 4096 (0,1,1,3,1,15) R0E-M0-N10-J01
Task 768 of 4096 (0,1,2,0,0,0) R0E-M0-N09-J06
Task 769 of 4096 (0,1,2,0,0,1) R0E-M0-N09-J06
Task 770 of 4096 (0,1,2,0,0,2) R0E-M0-N09-J06
Task 771 of 4096 (0,1,2,0,0,3) R0E-M0-N09-J06
Task 772 of 4096 (0,1,2,0,0,4) R0E-M0-N09-J06
Task 773 of 4096 (0,1,2,0,0,5) R0E-M0-N09-J06
Task 774 of 4096 (0,1,2,0,0,6) R0E-M0-N09-J06
Task 775 of 4096 (0,1,2,0,0,7) R0E-M0-N09-J06
Task 776 of 4096 (0,1,2,0,0,8) R0E-M0-N09-J06
Task 777 of 4096 (0,1,2,0,0,9) R0E-M0-N09-J06
Task 778 of 4096 (0,1,2,0,0,10) R0E-M0-N09-J06
Task 779 of 4096 (0,1,2,0,0,11) R0E-M0-N09-J06
Task 780 of 4096 (0,1,2,0,0,12) R0E-M0-N09-J06
Task 781 of 4096 (0,1,2,0,0,13) R0E-M0-N09-J06
Task 782 of 4096 (0,1,2,0,0,14) R0E-M0-N09-J06
Task 783 of 4096 (0,1,2,0,0,15) R0E-M0-N09-J06
Task 784 of 4096 (0,1,2,0,1,0) R0E-M0-N09-J01
Task 785 of 4096 (0,1,2,0,1,1) R0E-M0-N09-J01
Task 786 of 4096 (0,1,2,0,1,2) R0E-M0-N09-J01
Task 787 of 4096 (0,1,2,0,1,3) R0E-M0-N09-J01
Task 788 of 4096 (0,1,2,0,1,4) R0E-M0-N09-J01
Task 789 of 4096 (0,1,2,0,1,5) R0E-M0-N09-J01
Task 790 of 4096 (0,1,2,0,1,6) R0E-M0-N09-J01
Task 791 of 4096 (0,1,2,0,1,7) R0E-M0-N09-J01
Task 792 of 4096 (0,1,2,0,1,8) R0E-M0-N09-J01
Task 793 of 4096 (0,1,2,0,1,9) R0E-M0-N09-J01
Task 794 of 4096 (0,1,2,0,1,10) R0E-M0-N09-J01
Task 795 of 4096 (0,1,2,0,1,11) R0E-M0-N09-J01
Task 796 of 4096 (0,1,2,0,1,12) R0E-M0-N09-J01
Task 797 of 4096 (0,1,2,0,1,13) R0E-M0-N09-J01
Task 798 of 4096 (0,1,2,0,1,14) R0E-M0-N09-J01
Task 799 of 4096 (0,1,2,0,1,15) R0E-M0-N09-J01
Task 800 of 4096 (0,1,2,1,0,0) R0E-M0-N09-J10
Task 801 of 4096 (0,1,2,1,0,1) R0E-M0-N09-J10
Task 802 of 4096 (0,1,2,1,0,2) R0E-M0-N09-J10
Task 803 of 4096 (0,1,2,1,0,3) R0E-M0-N09-J10
Task 804 of 4096 (0,1,2,1,0,4) R0E-M0-N09-J10
Task 805 of 4096 (0,1,2,1,0,5) R0E-M0-N09-J10
Task 806 of 4096 (0,1,2,1,0,6) R0E-M0-N09-J10
Task 807 of 4096 (0,1,2,1,0,7) R0E-M0-N09-J10
Task 808 of 4096 (0,1,2,1,0,8) R0E-M0-N09-J10
Task 809 of 4096 (0,1,2,1,0,9) R0E-M0-N09-J10
Task 810 of 4096 (0,1,2,1,0,10) R0E-M0-N09-J10
Task 811 of 4096 (0,1,2,1,0,11) R0E-M0-N09-J10
Task 812 of 4096 (0,1,2,1,0,12) R0E-M0-N09-J10
Task 813 of 4096 (0,1,2,1,0,13) R0E-M0-N09-J10
Task 814 of 4096 (0,1,2,1,0,14) R0E-M0-N09-J10
Task 815 of 4096 (0,1,2,1,0,15) R0E-M0-N09-J10
Task 816 of 4096 (0,1,2,1,1,0) R0E-M0-N09-J13
Task 817 of 4096 (0,1,2,1,1,1) R0E-M0-N09-J13
Task 818 of 4096 (0,1,2,1,1,2) R0E-M0-N09-J13
Task 819 of 4096 (0,1,2,1,1,3) R0E-M0-N09-J13
Task 820 of 4096 (0,1,2,1,1,4) R0E-M0-N09-J13
Task 821 of 4096 (0,1,2,1,1,5) R0E-M0-N09-J13
Task 822 of 4096 (0,1,2,1,1,6) R0E-M0-N09-J13
Task 823 of 4096 (0,1,2,1,1,7) R0E-M0-N09-J13
Task 824 of 4096 (0,1,2,1,1,8) R0E-M0-N09-J13
Task 825 of 4096 (0,1,2,1,1,9) R0E-M0-N09-J13
Task 826 of 4096 (0,1,2,1,1,10) R0E-M0-N09-J13
Task 827 of 4096 (0,1,2,1,1,11) R0E-M0-N09-J13
Task 828 of 4096 (0,1,2,1,1,12) R0E-M0-N09-J13
Task 829 of 4096 (0,1,2,1,1,13) R0E-M0-N09-J13
Task 830 of 4096 (0,1,2,1,1,14) R0E-M0-N09-J13
Task 831 of 4096 (0,1,2,1,1,15) R0E-M0-N09-J13
Task 832 of 4096 (0,1,2,2,0,0) R0E-M0-N11-J10
Task 833 of 4096 (0,1,2,2,0,1) R0E-M0-N11-J10
Task 834 of 4096 (0,1,2,2,0,2) R0E-M0-N11-J10
Task 835 of 4096 (0,1,2,2,0,3) R0E-M0-N11-J10
Task 836 of 4096 (0,1,2,2,0,4) R0E-M0-N11-J10
Task 837 of 4096 (0,1,2,2,0,5) R0E-M0-N11-J10
Task 838 of 4096 (0,1,2,2,0,6) R0E-M0-N11-J10
Task 839 of 4096 (0,1,2,2,0,7) R0E-M0-N11-J10
Task 840 of 4096 (0,1,2,2,0,8) R0E-M0-N11-J10
Task 841 of 4096 (0,1,2,2,0,9) R0E-M0-N11-J10
Task 842 of 4096 (0,1,2,2,0,10) R0E-M0-N11-J10
Task 843 of 4096 (0,1,2,2,0,11) R0E-M0-N11-J10
Task 844 of 4096 (0,1,2,2,0,12) R0E-M0-N11-J10
Task 845 of 4096 (0,1,2,2,0,13) R0E-M0-N11-J10
Task 846 of 4096 (0,1,2,2,0,14) R0E-M0-N11-J10
Task 847 of 4096 (0,1,2,2,0,15) R0E-M0-N11-J10
Task 848 of 4096 (0,1,2,2,1,0) R0E-M0-N11-J13
Task 849 of 4096 (0,1,2,2,1,1) R0E-M0-N11-J13
Task 850 of 4096 (0,1,2,2,1,2) R0E-M0-N11-J13
Task 851 of 4096 (0,1,2,2,1,3) R0E-M0-N11-J13
Task 852 of 4096 (0,1,2,2,1,4) R0E-M0-N11-J13
Task 853 of 4096 (0,1,2,2,1,5) R0E-M0-N11-J13
Task 854 of 4096 (0,1,2,2,1,6) R0E-M0-N11-J13
Task 855 of 4096 (0,1,2,2,1,7) R0E-M0-N11-J13
Task 856 of 4096 (0,1,2,2,1,8) R0E-M0-N11-J13
Task 857 of 4096 (0,1,2,2,1,9) R0E-M0-N11-J13
Task 858 of 4096 (0,1,2,2,1,10) R0E-M0-N11-J13
Task 859 of 4096 (0,1,2,2,1,11) R0E-M0-N11-J13
Task 860 of 4096 (0,1,2,2,1,12) R0E-M0-N11-J13
Task 861 of 4096 (0,1,2,2,1,13) R0E-M0-N11-J13
Task 862 of 4096 (0,1,2,2,1,14) R0E-M0-N11-J13
Task 863 of 4096 (0,1,2,2,1,15) R0E-M0-N11-J13
Task 864 of 4096 (0,1,2,3,0,0) R0E-M0-N11-J06
Task 865 of 4096 (0,1,2,3,0,1) R0E-M0-N11-J06
Task 866 of 4096 (0,1,2,3,0,2) R0E-M0-N11-J06
Task 867 of 4096 (0,1,2,3,0,3) R0E-M0-N11-J06
Task 868 of 4096 (0,1,2,3,0,4) R0E-M0-N11-J06
Task 869 of 4096 (0,1,2,3,0,5) R0E-M0-N11-J06
Task 870 of 4096 (0,1,2,3,0,6) R0E-M0-N11-J06
Task 871 of 4096 (0,1,2,3,0,7) R0E-M0-N11-J06
Task 872 of 4096 (0,1,2,3,0,8) R0E-M0-N11-J06
Task 873 of 4096 (0,1,2,3,0,9) R0E-M0-N11-J06
Task 874 of 4096 (0,1,2,3,0,10) R0E-M0-N11-J06
Task 875 of 4096 (0,1,2,3,0,11) R0E-M0-N11-J06
Task 876 of 4096 (0,1,2,3,0,12) R0E-M0-N11-J06
Task 877 of 4096 (0,1,2,3,0,13) R0E-M0-N11-J06
Task 878 of 4096 (0,1,2,3,0,14) R0E-M0-N11-J06
Task 879 of 4096 (0,1,2,3,0,15) R0E-M0-N11-J06
Task 880 of 4096 (0,1,2,3,1,0) R0E-M0-N11-J01
Task 881 of 4096 (0,1,2,3,1,1) R0E-M0-N11-J01
Task 882 of 4096 (0,1,2,3,1,2) R0E-M0-N11-J01
Task 883 of 4096 (0,1,2,3,1,3) R0E-M0-N11-J01
Task 884 of 4096 (0,1,2,3,1,4) R0E-M0-N11-J01
Task 885 of 4096 (0,1,2,3,1,5) R0E-M0-N11-J01
Task 886 of 4096 (0,1,2,3,1,6) R0E-M0-N11-J01
Task 887 of 4096 (0,1,2,3,1,7) R0E-M0-N11-J01
Task 888 of 4096 (0,1,2,3,1,8) R0E-M0-N11-J01
Task 889 of 4096 (0,1,2,3,1,9) R0E-M0-N11-J01
Task 890 of 4096 (0,1,2,3,1,10) R0E-M0-N11-J01
Task 891 of 4096 (0,1,2,3,1,11) R0E-M0-N11-J01
Task 892 of 4096 (0,1,2,3,1,12) R0E-M0-N11-J01
Task 893 of 4096 (0,1,2,3,1,13) R0E-M0-N11-J01
Task 894 of 4096 (0,1,2,3,1,14) R0E-M0-N11-J01
Task 895 of 4096 (0,1,2,3,1,15) R0E-M0-N11-J01
Task 896 of 4096 (0,1,3,0,0,0) R0E-M0-N09-J07
Task 897 of 4096 (0,1,3,0,0,1) R0E-M0-N09-J07
Task 898 of 4096 (0,1,3,0,0,2) R0E-M0-N09-J07
Task 899 of 4096 (0,1,3,0,0,3) R0E-M0-N09-J07
Task 900 of 4096 (0,1,3,0,0,4) R0E-M0-N09-J07
Task 901 of 4096 (0,1,3,0,0,5) R0E-M0-N09-J07
Task 902 of 4096 (0,1,3,0,0,6) R0E-M0-N09-J07
Task 903 of 4096 (0,1,3,0,0,7) R0E-M0-N09-J07
Task 904 of 4096 (0,1,3,0,0,8) R0E-M0-N09-J07
Task 905 of 4096 (0,1,3,0,0,9) R0E-M0-N09-J07
Task 906 of 4096 (0,1,3,0,0,10) R0E-M0-N09-J07
Task 907 of 4096 (0,1,3,0,0,11) R0E-M0-N09-J07
Task 908 of 4096 (0,1,3,0,0,12) R0E-M0-N09-J07
Task 909 of 4096 (0,1,3,0,0,13) R0E-M0-N09-J07
Task 910 of 4096 (0,1,3,0,0,14) R0E-M0-N09-J07
Task 911 of 4096 (0,1,3,0,0,15) R0E-M0-N09-J07
Task 912 of 4096 (0,1,3,0,1,0) R0E-M0-N09-J00
Task 913 of 4096 (0,1,3,0,1,1) R0E-M0-N09-J00
Task 914 of 4096 (0,1,3,0,1,2) R0E-M0-N09-J00
Task 915 of 4096 (0,1,3,0,1,3) R0E-M0-N09-J00
Task 916 of 4096 (0,1,3,0,1,4) R0E-M0-N09-J00
Task 917 of 4096 (0,1,3,0,1,5) R0E-M0-N09-J00
Task 918 of 4096 (0,1,3,0,1,6) R0E-M0-N09-J00
Task 919 of 4096 (0,1,3,0,1,7) R0E-M0-N09-J00
Task 920 of 4096 (0,1,3,0,1,8) R0E-M0-N09-J00
Task 921 of 4096 (0,1,3,0,1,9) R0E-M0-N09-J00
Task 922 of 4096 (0,1,3,0,1,10) R0E-M0-N09-J00
Task 923 of 4096 (0,1,3,0,1,11) R0E-M0-N09-J00
Task 924 of 4096 (0,1,3,0,1,12) R0E-M0-N09-J00
Task 925 of 4096 (0,1,3,0,1,13) R0E-M0-N09-J00
Task 926 of 4096 (0,1,3,0,1,14) R0E-M0-N09-J00
Task 927 of 4096 (0,1,3,0,1,15) R0E-M0-N09-J00
Task 928 of 4096 (0,1,3,1,0,0) R0E-M0-N09-J11
Task 929 of 4096 (0,1,3,1,0,1) R0E-M0-N09-J11
Task 930 of 4096 (0,1,3,1,0,2) R0E-M0-N09-J11
Task 931 of 4096 (0,1,3,1,0,3) R0E-M0-N09-J11
Task 932 of 4096 (0,1,3,1,0,4) R0E-M0-N09-J11
Task 933 of 4096 (0,1,3,1,0,5) R0E-M0-N09-J11
Task 934 of 4096 (0,1,3,1,0,6) R0E-M0-N09-J11
Task 935 of 4096 (0,1,3,1,0,7) R0E-M0-N09-J11
Task 936 of 4096 (0,1,3,1,0,8) R0E-M0-N09-J11
Task 937 of 4096 (0,1,3,1,0,9) R0E-M0-N09-J11
Task 938 of 4096 (0,1,3,1,0,10) R0E-M0-N09-J11
Task 939 of 4096 (0,1,3,1,0,11) R0E-M0-N09-J11
Task 940 of 4096 (0,1,3,1,0,12) R0E-M0-N09-J11
Task 941 of 4096 (0,1,3,1,0,13) R0E-M0-N09-J11
Task 942 of 4096 (0,1,3,1,0,14) R0E-M0-N09-J11
Task 943 of 4096 (0,1,3,1,0,15) R0E-M0-N09-J11
Task 944 of 4096 (0,1,3,1,1,0) R0E-M0-N09-J12
Task 945 of 4096 (0,1,3,1,1,1) R0E-M0-N09-J12
Task 946 of 4096 (0,1,3,1,1,2) R0E-M0-N09-J12
Task 947 of 4096 (0,1,3,1,1,3) R0E-M0-N09-J12
Task 948 of 4096 (0,1,3,1,1,4) R0E-M0-N09-J12
Task 949 of 4096 (0,1,3,1,1,5) R0E-M0-N09-J12
Task 950 of 4096 (0,1,3,1,1,6) R0E-M0-N09-J12
Task 951 of 4096 (0,1,3,1,1,7) R0E-M0-N09-J12
Task 952 of 4096 (0,1,3,1,1,8) R0E-M0-N09-J12
Task 953 of 4096 (0,1,3,1,1,9) R0E-M0-N09-J12
Task 954 of 4096 (0,1,3,1,1,10) R0E-M0-N09-J12
Task 955 of 4096 (0,1,3,1,1,11) R0E-M0-N09-J12
Task 956 of 4096 (0,1,3,1,1,12) R0E-M0-N09-J12
Task 957 of 4096 (0,1,3,1,1,13) R0E-M0-N09-J12
Task 958 of 4096 (0,1,3,1,1,14) R0E-M0-N09-J12
Task 959 of 4096 (0,1,3,1,1,15) R0E-M0-N09-J12
Task 960 of 4096 (0,1,3,2,0,0) R0E-M0-N11-J11
Task 961 of 4096 (0,1,3,2,0,1) R0E-M0-N11-J11
Task 962 of 4096 (0,1,3,2,0,2) R0E-M0-N11-J11
Task 963 of 4096 (0,1,3,2,0,3) R0E-M0-N11-J11
Task 964 of 4096 (0,1,3,2,0,4) R0E-M0-N11-J11
Task 965 of 4096 (0,1,3,2,0,5) R0E-M0-N11-J11
Task 966 of 4096 (0,1,3,2,0,6) R0E-M0-N11-J11
Task 967 of 4096 (0,1,3,2,0,7) R0E-M0-N11-J11
Task 968 of 4096 (0,1,3,2,0,8) R0E-M0-N11-J11
Task 969 of 4096 (0,1,3,2,0,9) R0E-M0-N11-J11
Task 970 of 4096 (0,1,3,2,0,10) R0E-M0-N11-J11
Task 971 of 4096 (0,1,3,2,0,11) R0E-M0-N11-J11
Task 972 of 4096 (0,1,3,2,0,12) R0E-M0-N11-J11
Task 973 of 4096 (0,1,3,2,0,13) R0E-M0-N11-J11
Task 974 of 4096 (0,1,3,2,0,14) R0E-M0-N11-J11
Task 975 of 4096 (0,1,3,2,0,15) R0E-M0-N11-J11
Task 976 of 4096 (0,1,3,2,1,0) R0E-M0-N11-J12
Task 977 of 4096 (0,1,3,2,1,1) R0E-M0-N11-J12
Task 978 of 4096 (0,1,3,2,1,2) R0E-M0-N11-J12
Task 979 of 4096 (0,1,3,2,1,3) R0E-M0-N11-J12
Task 980 of 4096 (0,1,3,2,1,4) R0E-M0-N11-J12
Task 981 of 4096 (0,1,3,2,1,5) R0E-M0-N11-J12
Task 982 of 4096 (0,1,3,2,1,6) R0E-M0-N11-J12
Task 983 of 4096 (0,1,3,2,1,7) R0E-M0-N11-J12
Task 984 of 4096 (0,1,3,2,1,8) R0E-M0-N11-J12
Task 985 of 4096 (0,1,3,2,1,9) R0E-M0-N11-J12
Task 986 of 4096 (0,1,3,2,1,10) R0E-M0-N11-J12
Task 987 of 4096 (0,1,3,2,1,11) R0E-M0-N11-J12
Task 988 of 4096 (0,1,3,2,1,12) R0E-M0-N11-J12
Task 989 of 4096 (0,1,3,2,1,13) R0E-M0-N11-J12
Task 990 of 4096 (0,1,3,2,1,14) R0E-M0-N11-J12
Task 991 of 4096 (0,1,3,2,1,15) R0E-M0-N11-J12
Task 992 of 4096 (0,1,3,3,0,0) R0E-M0-N11-J07
Task 993 of 4096 (0,1,3,3,0,1) R0E-M0-N11-J07
Task 994 of 4096 (0,1,3,3,0,2) R0E-M0-N11-J07
Task 995 of 4096 (0,1,3,3,0,3) R0E-M0-N11-J07
Task 996 of 4096 (0,1,3,3,0,4) R0E-M0-N11-J07
Task 997 of 4096 (0,1,3,3,0,5) R0E-M0-N11-J07
Task 998 of 4096 (0,1,3,3,0,6) R0E-M0-N11-J07
Task 999 of 4096 (0,1,3,3,0,7) R0E-M0-N11-J07
Task 1000 of 4096 (0,1,3,3,0,8) R0E-M0-N11-J07
Task 1001 of 4096 (0,1,3,3,0,9) R0E-M0-N11-J07
Task 1002 of 4096 (0,1,3,3,0,10) R0E-M0-N11-J07
Task 1003 of 4096 (0,1,3,3,0,11) R0E-M0-N11-J07
Task 1004 of 4096 (0,1,3,3,0,12) R0E-M0-N11-J07
Task 1005 of 4096 (0,1,3,3,0,13) R0E-M0-N11-J07
Task 1006 of 4096 (0,1,3,3,0,14) R0E-M0-N11-J07
Task 1007 of 4096 (0,1,3,3,0,15) R0E-M0-N11-J07
Task 1008 of 4096 (0,1,3,3,1,0) R0E-M0-N11-J00
Task 1009 of 4096 (0,1,3,3,1,1) R0E-M0-N11-J00
Task 1010 of 4096 (0,1,3,3,1,2) R0E-M0-N11-J00
Task 1011 of 4096 (0,1,3,3,1,3) R0E-M0-N11-J00
Task 1012 of 4096 (0,1,3,3,1,4) R0E-M0-N11-J00
Task 1013 of 4096 (0,1,3,3,1,5) R0E-M0-N11-J00
Task 1014 of 4096 (0,1,3,3,1,6) R0E-M0-N11-J00
Task 1015 of 4096 (0,1,3,3,1,7) R0E-M0-N11-J00
Task 1016 of 4096 (0,1,3,3,1,8) R0E-M0-N11-J00
Task 1017 of 4096 (0,1,3,3,1,9) R0E-M0-N11-J00
Task 1018 of 4096 (0,1,3,3,1,10) R0E-M0-N11-J00
Task 1019 of 4096 (0,1,3,3,1,11) R0E-M0-N11-J00
Task 1020 of 4096 (0,1,3,3,1,12) R0E-M0-N11-J00
Task 1021 of 4096 (0,1,3,3,1,13) R0E-M0-N11-J00
Task 1022 of 4096 (0,1,3,3,1,14) R0E-M0-N11-J00
Task 1023 of 4096 (0,1,3,3,1,15) R0E-M0-N11-J00
Task 1024 of 4096 (1,0,0,0,0,0) R0E-M0-N08-J25
Task 1025 of 4096 (1,0,0,0,0,1) R0E-M0-N08-J25
Task 1026 of 4096 (1,0,0,0,0,2) R0E-M0-N08-J25
Task 1027 of 4096 (1,0,0,0,0,3) R0E-M0-N08-J25
Task 1028 of 4096 (1,0,0,0,0,4) R0E-M0-N08-J25
Task 1029 of 4096 (1,0,0,0,0,5) R0E-M0-N08-J25
Task 1030 of 4096 (1,0,0,0,0,6) R0E-M0-N08-J25
Task 1031 of 4096 (1,0,0,0,0,7) R0E-M0-N08-J25
Task 1032 of 4096 (1,0,0,0,0,8) R0E-M0-N08-J25
Task 1033 of 4096 (1,0,0,0,0,9) R0E-M0-N08-J25
Task 1034 of 4096 (1,0,0,0,0,10) R0E-M0-N08-J25
Task 1035 of 4096 (1,0,0,0,0,11) R0E-M0-N08-J25
Task 1036 of 4096 (1,0,0,0,0,12) R0E-M0-N08-J25
Task 1037 of 4096 (1,0,0,0,0,13) R0E-M0-N08-J25
Task 1038 of 4096 (1,0,0,0,0,14) R0E-M0-N08-J25
Task 1039 of 4096 (1,0,0,0,0,15) R0E-M0-N08-J25
Task 1040 of 4096 (1,0,0,0,1,0) R0E-M0-N08-J30
Task 1041 of 4096 (1,0,0,0,1,1) R0E-M0-N08-J30
Task 1042 of 4096 (1,0,0,0,1,2) R0E-M0-N08-J30
Task 1043 of 4096 (1,0,0,0,1,3) R0E-M0-N08-J30
Task 1044 of 4096 (1,0,0,0,1,4) R0E-M0-N08-J30
Task 1045 of 4096 (1,0,0,0,1,5) R0E-M0-N08-J30
Task 1046 of 4096 (1,0,0,0,1,6) R0E-M0-N08-J30
Task 1047 of 4096 (1,0,0,0,1,7) R0E-M0-N08-J30
Task 1048 of 4096 (1,0,0,0,1,8) R0E-M0-N08-J30
Task 1049 of 4096 (1,0,0,0,1,9) R0E-M0-N08-J30
Task 1050 of 4096 (1,0,0,0,1,10) R0E-M0-N08-J30
Task 1051 of 4096 (1,0,0,0,1,11) R0E-M0-N08-J30
Task 1052 of 4096 (1,0,0,0,1,12) R0E-M0-N08-J30
Task 1053 of 4096 (1,0,0,0,1,13) R0E-M0-N08-J30
Task 1054 of 4096 (1,0,0,0,1,14) R0E-M0-N08-J30
Task 1055 of 4096 (1,0,0,0,1,15) R0E-M0-N08-J30
Task 1056 of 4096 (1,0,0,1,0,0) R0E-M0-N08-J21
Task 1057 of 4096 (1,0,0,1,0,1) R0E-M0-N08-J21
Task 1058 of 4096 (1,0,0,1,0,2) R0E-M0-N08-J21
Task 1059 of 4096 (1,0,0,1,0,3) R0E-M0-N08-J21
Task 1060 of 4096 (1,0,0,1,0,4) R0E-M0-N08-J21
Task 1061 of 4096 (1,0,0,1,0,5) R0E-M0-N08-J21
Task 1062 of 4096 (1,0,0,1,0,6) R0E-M0-N08-J21
Task 1063 of 4096 (1,0,0,1,0,7) R0E-M0-N08-J21
Task 1064 of 4096 (1,0,0,1,0,8) R0E-M0-N08-J21
Task 1065 of 4096 (1,0,0,1,0,9) R0E-M0-N08-J21
Task 1066 of 4096 (1,0,0,1,0,10) R0E-M0-N08-J21
Task 1067 of 4096 (1,0,0,1,0,11) R0E-M0-N08-J21
Task 1068 of 4096 (1,0,0,1,0,12) R0E-M0-N08-J21
Task 1069 of 4096 (1,0,0,1,0,13) R0E-M0-N08-J21
Task 1070 of 4096 (1,0,0,1,0,14) R0E-M0-N08-J21
Task 1071 of 4096 (1,0,0,1,0,15) R0E-M0-N08-J21
Task 1072 of 4096 (1,0,0,1,1,0) R0E-M0-N08-J18
Task 1073 of 4096 (1,0,0,1,1,1) R0E-M0-N08-J18
Task 1074 of 4096 (1,0,0,1,1,2) R0E-M0-N08-J18
Task 1075 of 4096 (1,0,0,1,1,3) R0E-M0-N08-J18
Task 1076 of 4096 (1,0,0,1,1,4) R0E-M0-N08-J18
Task 1077 of 4096 (1,0,0,1,1,5) R0E-M0-N08-J18
Task 1078 of 4096 (1,0,0,1,1,6) R0E-M0-N08-J18
Task 1079 of 4096 (1,0,0,1,1,7) R0E-M0-N08-J18
Task 1080 of 4096 (1,0,0,1,1,8) R0E-M0-N08-J18
Task 1081 of 4096 (1,0,0,1,1,9) R0E-M0-N08-J18
Task 1082 of 4096 (1,0,0,1,1,10) R0E-M0-N08-J18
Task 1083 of 4096 (1,0,0,1,1,11) R0E-M0-N08-J18
Task 1084 of 4096 (1,0,0,1,1,12) R0E-M0-N08-J18
Task 1085 of 4096 (1,0,0,1,1,13) R0E-M0-N08-J18
Task 1086 of 4096 (1,0,0,1,1,14) R0E-M0-N08-J18
Task 1087 of 4096 (1,0,0,1,1,15) R0E-M0-N08-J18
Task 1088 of 4096 (1,0,0,2,0,0) R0E-M0-N10-J21
Task 1089 of 4096 (1,0,0,2,0,1) R0E-M0-N10-J21
Task 1090 of 4096 (1,0,0,2,0,2) R0E-M0-N10-J21
Task 1091 of 4096 (1,0,0,2,0,3) R0E-M0-N10-J21
Task 1092 of 4096 (1,0,0,2,0,4) R0E-M0-N10-J21
Task 1093 of 4096 (1,0,0,2,0,5) R0E-M0-N10-J21
Task 1094 of 4096 (1,0,0,2,0,6) R0E-M0-N10-J21
Task 1095 of 4096 (1,0,0,2,0,7) R0E-M0-N10-J21
Task 1096 of 4096 (1,0,0,2,0,8) R0E-M0-N10-J21
Task 1097 of 4096 (1,0,0,2,0,9) R0E-M0-N10-J21
Task 1098 of 4096 (1,0,0,2,0,10) R0E-M0-N10-J21
Task 1099 of 4096 (1,0,0,2,0,11) R0E-M0-N10-J21
Task 1100 of 4096 (1,0,0,2,0,12) R0E-M0-N10-J21
Task 1101 of 4096 (1,0,0,2,0,13) R0E-M0-N10-J21
Task 1102 of 4096 (1,0,0,2,0,14) R0E-M0-N10-J21
Task 1103 of 4096 (1,0,0,2,0,15) R0E-M0-N10-J21
Task 1104 of 4096 (1,0,0,2,1,0) R0E-M0-N10-J18
Task 1105 of 4096 (1,0,0,2,1,1) R0E-M0-N10-J18
Task 1106 of 4096 (1,0,0,2,1,2) R0E-M0-N10-J18
Task 1107 of 4096 (1,0,0,2,1,3) R0E-M0-N10-J18
Task 1108 of 4096 (1,0,0,2,1,4) R0E-M0-N10-J18
Task 1109 of 4096 (1,0,0,2,1,5) R0E-M0-N10-J18
Task 1110 of 4096 (1,0,0,2,1,6) R0E-M0-N10-J18
Task 1111 of 4096 (1,0,0,2,1,7) R0E-M0-N10-J18
Task 1112 of 4096 (1,0,0,2,1,8) R0E-M0-N10-J18
Task 1113 of 4096 (1,0,0,2,1,9) R0E-M0-N10-J18
Task 1114 of 4096 (1,0,0,2,1,10) R0E-M0-N10-J18
Task 1115 of 4096 (1,0,0,2,1,11) R0E-M0-N10-J18
Task 1116 of 4096 (1,0,0,2,1,12) R0E-M0-N10-J18
Task 1117 of 4096 (1,0,0,2,1,13) R0E-M0-N10-J18
Task 1118 of 4096 (1,0,0,2,1,14) R0E-M0-N10-J18
Task 1119 of 4096 (1,0,0,2,1,15) R0E-M0-N10-J18
Task 1120 of 4096 (1,0,0,3,0,0) R0E-M0-N10-J25
Task 1121 of 4096 (1,0,0,3,0,1) R0E-M0-N10-J25
Task 1122 of 4096 (1,0,0,3,0,2) R0E-M0-N10-J25
Task 1123 of 4096 (1,0,0,3,0,3) R0E-M0-N10-J25
Task 1124 of 4096 (1,0,0,3,0,4) R0E-M0-N10-J25
Task 1125 of 4096 (1,0,0,3,0,5) R0E-M0-N10-J25
Task 1126 of 4096 (1,0,0,3,0,6) R0E-M0-N10-J25
Task 1127 of 4096 (1,0,0,3,0,7) R0E-M0-N10-J25
Task 1128 of 4096 (1,0,0,3,0,8) R0E-M0-N10-J25
Task 1129 of 4096 (1,0,0,3,0,9) R0E-M0-N10-J25
Task 1130 of 4096 (1,0,0,3,0,10) R0E-M0-N10-J25
Task 1131 of 4096 (1,0,0,3,0,11) R0E-M0-N10-J25
Task 1132 of 4096 (1,0,0,3,0,12) R0E-M0-N10-J25
Task 1133 of 4096 (1,0,0,3,0,13) R0E-M0-N10-J25
Task 1134 of 4096 (1,0,0,3,0,14) R0E-M0-N10-J25
Task 1135 of 4096 (1,0,0,3,0,15) R0E-M0-N10-J25
Task 1136 of 4096 (1,0,0,3,1,0) R0E-M0-N10-J30
Task 1137 of 4096 (1,0,0,3,1,1) R0E-M0-N10-J30
Task 1138 of 4096 (1,0,0,3,1,2) R0E-M0-N10-J30
Task 1139 of 4096 (1,0,0,3,1,3) R0E-M0-N10-J30
Task 1140 of 4096 (1,0,0,3,1,4) R0E-M0-N10-J30
Task 1141 of 4096 (1,0,0,3,1,5) R0E-M0-N10-J30
Task 1142 of 4096 (1,0,0,3,1,6) R0E-M0-N10-J30
Task 1143 of 4096 (1,0,0,3,1,7) R0E-M0-N10-J30
Task 1144 of 4096 (1,0,0,3,1,8) R0E-M0-N10-J30
Task 1145 of 4096 (1,0,0,3,1,9) R0E-M0-N10-J30
Task 1146 of 4096 (1,0,0,3,1,10) R0E-M0-N10-J30
Task 1147 of 4096 (1,0,0,3,1,11) R0E-M0-N10-J30
Task 1148 of 4096 (1,0,0,3,1,12) R0E-M0-N10-J30
Task 1149 of 4096 (1,0,0,3,1,13) R0E-M0-N10-J30
Task 1150 of 4096 (1,0,0,3,1,14) R0E-M0-N10-J30
Task 1151 of 4096 (1,0,0,3,1,15) R0E-M0-N10-J30
Task 1152 of 4096 (1,0,1,0,0,0) R0E-M0-N08-J24
Task 1153 of 4096 (1,0,1,0,0,1) R0E-M0-N08-J24
Task 1154 of 4096 (1,0,1,0,0,2) R0E-M0-N08-J24
Task 1155 of 4096 (1,0,1,0,0,3) R0E-M0-N08-J24
Task 1156 of 4096 (1,0,1,0,0,4) R0E-M0-N08-J24
Task 1157 of 4096 (1,0,1,0,0,5) R0E-M0-N08-J24
Task 1158 of 4096 (1,0,1,0,0,6) R0E-M0-N08-J24
Task 1159 of 4096 (1,0,1,0,0,7) R0E-M0-N08-J24
Task 1160 of 4096 (1,0,1,0,0,8) R0E-M0-N08-J24
Task 1161 of 4096 (1,0,1,0,0,9) R0E-M0-N08-J24
Task 1162 of 4096 (1,0,1,0,0,10) R0E-M0-N08-J24
Task 1163 of 4096 (1,0,1,0,0,11) R0E-M0-N08-J24
Task 1164 of 4096 (1,0,1,0,0,12) R0E-M0-N08-J24
Task 1165 of 4096 (1,0,1,0,0,13) R0E-M0-N08-J24
Task 1166 of 4096 (1,0,1,0,0,14) R0E-M0-N08-J24
Task 1167 of 4096 (1,0,1,0,0,15) R0E-M0-N08-J24
Task 1168 of 4096 (1,0,1,0,1,0) R0E-M0-N08-J31
Task 1169 of 4096 (1,0,1,0,1,1) R0E-M0-N08-J31
Task 1170 of 4096 (1,0,1,0,1,2) R0E-M0-N08-J31
Task 1171 of 4096 (1,0,1,0,1,3) R0E-M0-N08-J31
Task 1172 of 4096 (1,0,1,0,1,4) R0E-M0-N08-J31
Task 1173 of 4096 (1,0,1,0,1,5) R0E-M0-N08-J31
Task 1174 of 4096 (1,0,1,0,1,6) R0E-M0-N08-J31
Task 1175 of 4096 (1,0,1,0,1,7) R0E-M0-N08-J31
Task 1176 of 4096 (1,0,1,0,1,8) R0E-M0-N08-J31
Task 1177 of 4096 (1,0,1,0,1,9) R0E-M0-N08-J31
Task 1178 of 4096 (1,0,1,0,1,10) R0E-M0-N08-J31
Task 1179 of 4096 (1,0,1,0,1,11) R0E-M0-N08-J31
Task 1180 of 4096 (1,0,1,0,1,12) R0E-M0-N08-J31
Task 1181 of 4096 (1,0,1,0,1,13) R0E-M0-N08-J31
Task 1182 of 4096 (1,0,1,0,1,14) R0E-M0-N08-J31
Task 1183 of 4096 (1,0,1,0,1,15) R0E-M0-N08-J31
Task 1184 of 4096 (1,0,1,1,0,0) R0E-M0-N08-J20
Task 1185 of 4096 (1,0,1,1,0,1) R0E-M0-N08-J20
Task 1186 of 4096 (1,0,1,1,0,2) R0E-M0-N08-J20
Task 1187 of 4096 (1,0,1,1,0,3) R0E-M0-N08-J20
Task 1188 of 4096 (1,0,1,1,0,4) R0E-M0-N08-J20
Task 1189 of 4096 (1,0,1,1,0,5) R0E-M0-N08-J20
Task 1190 of 4096 (1,0,1,1,0,6) R0E-M0-N08-J20
Task 1191 of 4096 (1,0,1,1,0,7) R0E-M0-N08-J20
Task 1192 of 4096 (1,0,1,1,0,8) R0E-M0-N08-J20
Task 1193 of 4096 (1,0,1,1,0,9) R0E-M0-N08-J20
Task 1194 of 4096 (1,0,1,1,0,10) R0E-M0-N08-J20
Task 1195 of 4096 (1,0,1,1,0,11) R0E-M0-N08-J20
Task 1196 of 4096 (1,0,1,1,0,12) R0E-M0-N08-J20
Task 1197 of 4096 (1,0,1,1,0,13) R0E-M0-N08-J20
Task 1198 of 4096 (1,0,1,1,0,14) R0E-M0-N08-J20
Task 1199 of 4096 (1,0,1,1,0,15) R0E-M0-N08-J20
Task 1200 of 4096 (1,0,1,1,1,0) R0E-M0-N08-J19
Task 1201 of 4096 (1,0,1,1,1,1) R0E-M0-N08-J19
Task 1202 of 4096 (1,0,1,1,1,2) R0E-M0-N08-J19
Task 1203 of 4096 (1,0,1,1,1,3) R0E-M0-N08-J19
Task 1204 of 4096 (1,0,1,1,1,4) R0E-M0-N08-J19
Task 1205 of 4096 (1,0,1,1,1,5) R0E-M0-N08-J19
Task 1206 of 4096 (1,0,1,1,1,6) R0E-M0-N08-J19
Task 1207 of 4096 (1,0,1,1,1,7) R0E-M0-N08-J19
Task 1208 of 4096 (1,0,1,1,1,8) R0E-M0-N08-J19
Task 1209 of 4096 (1,0,1,1,1,9) R0E-M0-N08-J19
Task 1210 of 4096 (1,0,1,1,1,10) R0E-M0-N08-J19
Task 1211 of 4096 (1,0,1,1,1,11) R0E-M0-N08-J19
Task 1212 of 4096 (1,0,1,1,1,12) R0E-M0-N08-J19
Task 1213 of 4096 (1,0,1,1,1,13) R0E-M0-N08-J19
Task 1214 of 4096 (1,0,1,1,1,14) R0E-M0-N08-J19
Task 1215 of 4096 (1,0,1,1,1,15) R0E-M0-N08-J19
Task 1216 of 4096 (1,0,1,2,0,0) R0E-M0-N10-J20
Task 1217 of 4096 (1,0,1,2,0,1) R0E-M0-N10-J20
Task 1218 of 4096 (1,0,1,2,0,2) R0E-M0-N10-J20
Task 1219 of 4096 (1,0,1,2,0,3) R0E-M0-N10-J20
Task 1220 of 4096 (1,0,1,2,0,4) R0E-M0-N10-J20
Task 1221 of 4096 (1,0,1,2,0,5) R0E-M0-N10-J20
Task 1222 of 4096 (1,0,1,2,0,6) R0E-M0-N10-J20
Task 1223 of 4096 (1,0,1,2,0,7) R0E-M0-N10-J20
Task 1224 of 4096 (1,0,1,2,0,8) R0E-M0-N10-J20
Task 1225 of 4096 (1,0,1,2,0,9) R0E-M0-N10-J20
Task 1226 of 4096 (1,0,1,2,0,10) R0E-M0-N10-J20
Task 1227 of 4096 (1,0,1,2,0,11) R0E-M0-N10-J20
Task 1228 of 4096 (1,0,1,2,0,12) R0E-M0-N10-J20
Task 1229 of 4096 (1,0,1,2,0,13) R0E-M0-N10-J20
Task 1230 of 4096 (1,0,1,2,0,14) R0E-M0-N10-J20
Task 1231 of 4096 (1,0,1,2,0,15) R0E-M0-N10-J20
Task 1232 of 4096 (1,0,1,2,1,0) R0E-M0-N10-J19
Task 1233 of 4096 (1,0,1,2,1,1) R0E-M0-N10-J19
Task 1234 of 4096 (1,0,1,2,1,2) R0E-M0-N10-J19
Task 1235 of 4096 (1,0,1,2,1,3) R0E-M0-N10-J19
Task 1236 of 4096 (1,0,1,2,1,4) R0E-M0-N10-J19
Task 1237 of 4096 (1,0,1,2,1,5) R0E-M0-N10-J19
Task 1238 of 4096 (1,0,1,2,1,6) R0E-M0-N10-J19
Task 1239 of 4096 (1,0,1,2,1,7) R0E-M0-N10-J19
Task 1240 of 4096 (1,0,1,2,1,8) R0E-M0-N10-J19
Task 1241 of 4096 (1,0,1,2,1,9) R0E-M0-N10-J19
Task 1242 of 4096 (1,0,1,2,1,10) R0E-M0-N10-J19
Task 1243 of 4096 (1,0,1,2,1,11) R0E-M0-N10-J19
Task 1244 of 4096 (1,0,1,2,1,12) R0E-M0-N10-J19
Task 1245 of 4096 (1,0,1,2,1,13) R0E-M0-N10-J19
Task 1246 of 4096 (1,0,1,2,1,14) R0E-M0-N10-J19
Task 1247 of 4096 (1,0,1,2,1,15) R0E-M0-N10-J19
Task 1248 of 4096 (1,0,1,3,0,0) R0E-M0-N10-J24
Task 1249 of 4096 (1,0,1,3,0,1) R0E-M0-N10-J24
Task 1250 of 4096 (1,0,1,3,0,2) R0E-M0-N10-J24
Task 1251 of 4096 (1,0,1,3,0,3) R0E-M0-N10-J24
Task 1252 of 4096 (1,0,1,3,0,4) R0E-M0-N10-J24
Task 1253 of 4096 (1,0,1,3,0,5) R0E-M0-N10-J24
Task 1254 of 4096 (1,0,1,3,0,6) R0E-M0-N10-J24
Task 1255 of 4096 (1,0,1,3,0,7) R0E-M0-N10-J24
Task 1256 of 4096 (1,0,1,3,0,8) R0E-M0-N10-J24
Task 1257 of 4096 (1,0,1,3,0,9) R0E-M0-N10-J24
Task 1258 of 4096 (1,0,1,3,0,10) R0E-M0-N10-J24
Task 1259 of 4096 (1,0,1,3,0,11) R0E-M0-N10-J24
Task 1260 of 4096 (1,0,1,3,0,12) R0E-M0-N10-J24
Task 1261 of 4096 (1,0,1,3,0,13) R0E-M0-N10-J24
Task 1262 of 4096 (1,0,1,3,0,14) R0E-M0-N10-J24
Task 1263 of 4096 (1,0,1,3,0,15) R0E-M0-N10-J24
Task 1264 of 4096 (1,0,1,3,1,0) R0E-M0-N10-J31
Task 1265 of 4096 (1,0,1,3,1,1) R0E-M0-N10-J31
Task 1266 of 4096 (1,0,1,3,1,2) R0E-M0-N10-J31
Task 1267 of 4096 (1,0,1,3,1,3) R0E-M0-N10-J31
Task 1268 of 4096 (1,0,1,3,1,4) R0E-M0-N10-J31
Task 1269 of 4096 (1,0,1,3,1,5) R0E-M0-N10-J31
Task 1270 of 4096 (1,0,1,3,1,6) R0E-M0-N10-J31
Task 1271 of 4096 (1,0,1,3,1,7) R0E-M0-N10-J31
Task 1272 of 4096 (1,0,1,3,1,8) R0E-M0-N10-J31
Task 1273 of 4096 (1,0,1,3,1,9) R0E-M0-N10-J31
Task 1274 of 4096 (1,0,1,3,1,10) R0E-M0-N10-J31
Task 1275 of 4096 (1,0,1,3,1,11) R0E-M0-N10-J31
Task 1276 of 4096 (1,0,1,3,1,12) R0E-M0-N10-J31
Task 1277 of 4096 (1,0,1,3,1,13) R0E-M0-N10-J31
Task 1278 of 4096 (1,0,1,3,1,14) R0E-M0-N10-J31
Task 1279 of 4096 (1,0,1,3,1,15) R0E-M0-N10-J31
Task 1280 of 4096 (1,0,2,0,0,0) R0E-M0-N09-J24
Task 1281 of 4096 (1,0,2,0,0,1) R0E-M0-N09-J24
Task 1282 of 4096 (1,0,2,0,0,2) R0E-M0-N09-J24
Task 1283 of 4096 (1,0,2,0,0,3) R0E-M0-N09-J24
Task 1284 of 4096 (1,0,2,0,0,4) R0E-M0-N09-J24
Task 1285 of 4096 (1,0,2,0,0,5) R0E-M0-N09-J24
Task 1286 of 4096 (1,0,2,0,0,6) R0E-M0-N09-J24
Task 1287 of 4096 (1,0,2,0,0,7) R0E-M0-N09-J24
Task 1288 of 4096 (1,0,2,0,0,8) R0E-M0-N09-J24
Task 1289 of 4096 (1,0,2,0,0,9) R0E-M0-N09-J24
Task 1290 of 4096 (1,0,2,0,0,10) R0E-M0-N09-J24
Task 1291 of 4096 (1,0,2,0,0,11) R0E-M0-N09-J24
Task 1292 of 4096 (1,0,2,0,0,12) R0E-M0-N09-J24
Task 1293 of 4096 (1,0,2,0,0,13) R0E-M0-N09-J24
Task 1294 of 4096 (1,0,2,0,0,14) R0E-M0-N09-J24
Task 1295 of 4096 (1,0,2,0,0,15) R0E-M0-N09-J24
Task 1296 of 4096 (1,0,2,0,1,0) R0E-M0-N09-J31
Task 1297 of 4096 (1,0,2,0,1,1) R0E-M0-N09-J31
Task 1298 of 4096 (1,0,2,0,1,2) R0E-M0-N09-J31
Task 1299 of 4096 (1,0,2,0,1,3) R0E-M0-N09-J31
Task 1300 of 4096 (1,0,2,0,1,4) R0E-M0-N09-J31
Task 1301 of 4096 (1,0,2,0,1,5) R0E-M0-N09-J31
Task 1302 of 4096 (1,0,2,0,1,6) R0E-M0-N09-J31
Task 1303 of 4096 (1,0,2,0,1,7) R0E-M0-N09-J31
Task 1304 of 4096 (1,0,2,0,1,8) R0E-M0-N09-J31
Task 1305 of 4096 (1,0,2,0,1,9) R0E-M0-N09-J31
Task 1306 of 4096 (1,0,2,0,1,10) R0E-M0-N09-J31
Task 1307 of 4096 (1,0,2,0,1,11) R0E-M0-N09-J31
Task 1308 of 4096 (1,0,2,0,1,12) R0E-M0-N09-J31
Task 1309 of 4096 (1,0,2,0,1,13) R0E-M0-N09-J31
Task 1310 of 4096 (1,0,2,0,1,14) R0E-M0-N09-J31
Task 1311 of 4096 (1,0,2,0,1,15) R0E-M0-N09-J31
Task 1312 of 4096 (1,0,2,1,0,0) R0E-M0-N09-J20
Task 1313 of 4096 (1,0,2,1,0,1) R0E-M0-N09-J20
Task 1314 of 4096 (1,0,2,1,0,2) R0E-M0-N09-J20
Task 1315 of 4096 (1,0,2,1,0,3) R0E-M0-N09-J20
Task 1316 of 4096 (1,0,2,1,0,4) R0E-M0-N09-J20
Task 1317 of 4096 (1,0,2,1,0,5) R0E-M0-N09-J20
Task 1318 of 4096 (1,0,2,1,0,6) R0E-M0-N09-J20
Task 1319 of 4096 (1,0,2,1,0,7) R0E-M0-N09-J20
Task 1320 of 4096 (1,0,2,1,0,8) R0E-M0-N09-J20
Task 1321 of 4096 (1,0,2,1,0,9) R0E-M0-N09-J20
Task 1322 of 4096 (1,0,2,1,0,10) R0E-M0-N09-J20
Task 1323 of 4096 (1,0,2,1,0,11) R0E-M0-N09-J20
Task 1324 of 4096 (1,0,2,1,0,12) R0E-M0-N09-J20
Task 1325 of 4096 (1,0,2,1,0,13) R0E-M0-N09-J20
Task 1326 of 4096 (1,0,2,1,0,14) R0E-M0-N09-J20
Task 1327 of 4096 (1,0,2,1,0,15) R0E-M0-N09-J20
Task 1328 of 4096 (1,0,2,1,1,0) R0E-M0-N09-J19
Task 1329 of 4096 (1,0,2,1,1,1) R0E-M0-N09-J19
Task 1330 of 4096 (1,0,2,1,1,2) R0E-M0-N09-J19
Task 1331 of 4096 (1,0,2,1,1,3) R0E-M0-N09-J19
Task 1332 of 4096 (1,0,2,1,1,4) R0E-M0-N09-J19
Task 1333 of 4096 (1,0,2,1,1,5) R0E-M0-N09-J19
Task 1334 of 4096 (1,0,2,1,1,6) R0E-M0-N09-J19
Task 1335 of 4096 (1,0,2,1,1,7) R0E-M0-N09-J19
Task 1336 of 4096 (1,0,2,1,1,8) R0E-M0-N09-J19
Task 1337 of 4096 (1,0,2,1,1,9) R0E-M0-N09-J19
Task 1338 of 4096 (1,0,2,1,1,10) R0E-M0-N09-J19
Task 1339 of 4096 (1,0,2,1,1,11) R0E-M0-N09-J19
Task 1340 of 4096 (1,0,2,1,1,12) R0E-M0-N09-J19
Task 1341 of 4096 (1,0,2,1,1,13) R0E-M0-N09-J19
Task 1342 of 4096 (1,0,2,1,1,14) R0E-M0-N09-J19
Task 1343 of 4096 (1,0,2,1,1,15) R0E-M0-N09-J19
Task 1344 of 4096 (1,0,2,2,0,0) R0E-M0-N11-J20
Task 1345 of 4096 (1,0,2,2,0,1) R0E-M0-N11-J20
Task 1346 of 4096 (1,0,2,2,0,2) R0E-M0-N11-J20
Task 1347 of 4096 (1,0,2,2,0,3) R0E-M0-N11-J20
Task 1348 of 4096 (1,0,2,2,0,4) R0E-M0-N11-J20
Task 1349 of 4096 (1,0,2,2,0,5) R0E-M0-N11-J20
Task 1350 of 4096 (1,0,2,2,0,6) R0E-M0-N11-J20
Task 1351 of 4096 (1,0,2,2,0,7) R0E-M0-N11-J20
Task 1352 of 4096 (1,0,2,2,0,8) R0E-M0-N11-J20
Task 1353 of 4096 (1,0,2,2,0,9) R0E-M0-N11-J20
Task 1354 of 4096 (1,0,2,2,0,10) R0E-M0-N11-J20
Task 1355 of 4096 (1,0,2,2,0,11) R0E-M0-N11-J20
Task 1356 of 4096 (1,0,2,2,0,12) R0E-M0-N11-J20
Task 1357 of 4096 (1,0,2,2,0,13) R0E-M0-N11-J20
Task 1358 of 4096 (1,0,2,2,0,14) R0E-M0-N11-J20
Task 1359 of 4096 (1,0,2,2,0,15) R0E-M0-N11-J20
Task 1360 of 4096 (1,0,2,2,1,0) R0E-M0-N11-J19
Task 1361 of 4096 (1,0,2,2,1,1) R0E-M0-N11-J19
Task 1362 of 4096 (1,0,2,2,1,2) R0E-M0-N11-J19
Task 1363 of 4096 (1,0,2,2,1,3) R0E-M0-N11-J19
Task 1364 of 4096 (1,0,2,2,1,4) R0E-M0-N11-J19
Task 1365 of 4096 (1,0,2,2,1,5) R0E-M0-N11-J19
Task 1366 of 4096 (1,0,2,2,1,6) R0E-M0-N11-J19
Task 1367 of 4096 (1,0,2,2,1,7) R0E-M0-N11-J19
Task 1368 of 4096 (1,0,2,2,1,8) R0E-M0-N11-J19
Task 1369 of 4096 (1,0,2,2,1,9) R0E-M0-N11-J19
Task 1370 of 4096 (1,0,2,2,1,10) R0E-M0-N11-J19
Task 1371 of 4096 (1,0,2,2,1,11) R0E-M0-N11-J19
Task 1372 of 4096 (1,0,2,2,1,12) R0E-M0-N11-J19
Task 1373 of 4096 (1,0,2,2,1,13) R0E-M0-N11-J19
Task 1374 of 4096 (1,0,2,2,1,14) R0E-M0-N11-J19
Task 1375 of 4096 (1,0,2,2,1,15) R0E-M0-N11-J19
Task 1376 of 4096 (1,0,2,3,0,0) R0E-M0-N11-J24
Task 1377 of 4096 (1,0,2,3,0,1) R0E-M0-N11-J24
Task 1378 of 4096 (1,0,2,3,0,2) R0E-M0-N11-J24
Task 1379 of 4096 (1,0,2,3,0,3) R0E-M0-N11-J24
Task 1380 of 4096 (1,0,2,3,0,4) R0E-M0-N11-J24
Task 1381 of 4096 (1,0,2,3,0,5) R0E-M0-N11-J24
Task 1382 of 4096 (1,0,2,3,0,6) R0E-M0-N11-J24
Task 1383 of 4096 (1,0,2,3,0,7) R0E-M0-N11-J24
Task 1384 of 4096 (1,0,2,3,0,8) R0E-M0-N11-J24
Task 1385 of 4096 (1,0,2,3,0,9) R0E-M0-N11-J24
Task 1386 of 4096 (1,0,2,3,0,10) R0E-M0-N11-J24
Task 1387 of 4096 (1,0,2,3,0,11) R0E-M0-N11-J24
Task 1388 of 4096 (1,0,2,3,0,12) R0E-M0-N11-J24
Task 1389 of 4096 (1,0,2,3,0,13) R0E-M0-N11-J24
Task 1390 of 4096 (1,0,2,3,0,14) R0E-M0-N11-J24
Task 1391 of 4096 (1,0,2,3,0,15) R0E-M0-N11-J24
Task 1392 of 4096 (1,0,2,3,1,0) R0E-M0-N11-J31
Task 1393 of 4096 (1,0,2,3,1,1) R0E-M0-N11-J31
Task 1394 of 4096 (1,0,2,3,1,2) R0E-M0-N11-J31
Task 1395 of 4096 (1,0,2,3,1,3) R0E-M0-N11-J31
Task 1396 of 4096 (1,0,2,3,1,4) R0E-M0-N11-J31
Task 1397 of 4096 (1,0,2,3,1,5) R0E-M0-N11-J31
Task 1398 of 4096 (1,0,2,3,1,6) R0E-M0-N11-J31
Task 1399 of 4096 (1,0,2,3,1,7) R0E-M0-N11-J31
Task 1400 of 4096 (1,0,2,3,1,8) R0E-M0-N11-J31
Task 1401 of 4096 (1,0,2,3,1,9) R0E-M0-N11-J31
Task 1402 of 4096 (1,0,2,3,1,10) R0E-M0-N11-J31
Task 1403 of 4096 (1,0,2,3,1,11) R0E-M0-N11-J31
Task 1404 of 4096 (1,0,2,3,1,12) R0E-M0-N11-J31
Task 1405 of 4096 (1,0,2,3,1,13) R0E-M0-N11-J31
Task 1406 of 4096 (1,0,2,3,1,14) R0E-M0-N11-J31
Task 1407 of 4096 (1,0,2,3,1,15) R0E-M0-N11-J31
Task 1408 of 4096 (1,0,3,0,0,0) R0E-M0-N09-J25
Task 1409 of 4096 (1,0,3,0,0,1) R0E-M0-N09-J25
Task 1410 of 4096 (1,0,3,0,0,2) R0E-M0-N09-J25
Task 1411 of 4096 (1,0,3,0,0,3) R0E-M0-N09-J25
Task 1412 of 4096 (1,0,3,0,0,4) R0E-M0-N09-J25
Task 1413 of 4096 (1,0,3,0,0,5) R0E-M0-N09-J25
Task 1414 of 4096 (1,0,3,0,0,6) R0E-M0-N09-J25
Task 1415 of 4096 (1,0,3,0,0,7) R0E-M0-N09-J25
Task 1416 of 4096 (1,0,3,0,0,8) R0E-M0-N09-J25
Task 1417 of 4096 (1,0,3,0,0,9) R0E-M0-N09-J25
Task 1418 of 4096 (1,0,3,0,0,10) R0E-M0-N09-J25
Task 1419 of 4096 (1,0,3,0,0,11) R0E-M0-N09-J25
Task 1420 of 4096 (1,0,3,0,0,12) R0E-M0-N09-J25
Task 1421 of 4096 (1,0,3,0,0,13) R0E-M0-N09-J25
Task 1422 of 4096 (1,0,3,0,0,14) R0E-M0-N09-J25
Task 1423 of 4096 (1,0,3,0,0,15) R0E-M0-N09-J25
Task 1424 of 4096 (1,0,3,0,1,0) R0E-M0-N09-J30
Task 1425 of 4096 (1,0,3,0,1,1) R0E-M0-N09-J30
Task 1426 of 4096 (1,0,3,0,1,2) R0E-M0-N09-J30
Task 1427 of 4096 (1,0,3,0,1,3) R0E-M0-N09-J30
Task 1428 of 4096 (1,0,3,0,1,4) R0E-M0-N09-J30
Task 1429 of 4096 (1,0,3,0,1,5) R0E-M0-N09-J30
Task 1430 of 4096 (1,0,3,0,1,6) R0E-M0-N09-J30
Task 1431 of 4096 (1,0,3,0,1,7) R0E-M0-N09-J30
Task 1432 of 4096 (1,0,3,0,1,8) R0E-M0-N09-J30
Task 1433 of 4096 (1,0,3,0,1,9) R0E-M0-N09-J30
Task 1434 of 4096 (1,0,3,0,1,10) R0E-M0-N09-J30
Task 1435 of 4096 (1,0,3,0,1,11) R0E-M0-N09-J30
Task 1436 of 4096 (1,0,3,0,1,12) R0E-M0-N09-J30
Task 1437 of 4096 (1,0,3,0,1,13) R0E-M0-N09-J30
Task 1438 of 4096 (1,0,3,0,1,14) R0E-M0-N09-J30
Task 1439 of 4096 (1,0,3,0,1,15) R0E-M0-N09-J30
Task 1440 of 4096 (1,0,3,1,0,0) R0E-M0-N09-J21
Task 1441 of 4096 (1,0,3,1,0,1) R0E-M0-N09-J21
Task 1442 of 4096 (1,0,3,1,0,2) R0E-M0-N09-J21
Task 1443 of 4096 (1,0,3,1,0,3) R0E-M0-N09-J21
Task 1444 of 4096 (1,0,3,1,0,4) R0E-M0-N09-J21
Task 1445 of 4096 (1,0,3,1,0,5) R0E-M0-N09-J21
Task 1446 of 4096 (1,0,3,1,0,6) R0E-M0-N09-J21
Task 1447 of 4096 (1,0,3,1,0,7) R0E-M0-N09-J21
Task 1448 of 4096 (1,0,3,1,0,8) R0E-M0-N09-J21
Task 1449 of 4096 (1,0,3,1,0,9) R0E-M0-N09-J21
Task 1450 of 4096 (1,0,3,1,0,10) R0E-M0-N09-J21
Task 1451 of 4096 (1,0,3,1,0,11) R0E-M0-N09-J21
Task 1452 of 4096 (1,0,3,1,0,12) R0E-M0-N09-J21
Task 1453 of 4096 (1,0,3,1,0,13) R0E-M0-N09-J21
Task 1454 of 4096 (1,0,3,1,0,14) R0E-M0-N09-J21
Task 1455 of 4096 (1,0,3,1,0,15) R0E-M0-N09-J21
Task 1456 of 4096 (1,0,3,1,1,0) R0E-M0-N09-J18
Task 1457 of 4096 (1,0,3,1,1,1) R0E-M0-N09-J18
Task 1458 of 4096 (1,0,3,1,1,2) R0E-M0-N09-J18
Task 1459 of 4096 (1,0,3,1,1,3) R0E-M0-N09-J18
Task 1460 of 4096 (1,0,3,1,1,4) R0E-M0-N09-J18
Task 1461 of 4096 (1,0,3,1,1,5) R0E-M0-N09-J18
Task 1462 of 4096 (1,0,3,1,1,6) R0E-M0-N09-J18
Task 1463 of 4096 (1,0,3,1,1,7) R0E-M0-N09-J18
Task 1464 of 4096 (1,0,3,1,1,8) R0E-M0-N09-J18
Task 1465 of 4096 (1,0,3,1,1,9) R0E-M0-N09-J18
Task 1466 of 4096 (1,0,3,1,1,10) R0E-M0-N09-J18
Task 1467 of 4096 (1,0,3,1,1,11) R0E-M0-N09-J18
Task 1468 of 4096 (1,0,3,1,1,12) R0E-M0-N09-J18
Task 1469 of 4096 (1,0,3,1,1,13) R0E-M0-N09-J18
Task 1470 of 4096 (1,0,3,1,1,14) R0E-M0-N09-J18
Task 1471 of 4096 (1,0,3,1,1,15) R0E-M0-N09-J18
Task 1472 of 4096 (1,0,3,2,0,0) R0E-M0-N11-J21
Task 1473 of 4096 (1,0,3,2,0,1) R0E-M0-N11-J21
Task 1474 of 4096 (1,0,3,2,0,2) R0E-M0-N11-J21
Task 1475 of 4096 (1,0,3,2,0,3) R0E-M0-N11-J21
Task 1476 of 4096 (1,0,3,2,0,4) R0E-M0-N11-J21
Task 1477 of 4096 (1,0,3,2,0,5) R0E-M0-N11-J21
Task 1478 of 4096 (1,0,3,2,0,6) R0E-M0-N11-J21
Task 1479 of 4096 (1,0,3,2,0,7) R0E-M0-N11-J21
Task 1480 of 4096 (1,0,3,2,0,8) R0E-M0-N11-J21
Task 1481 of 4096 (1,0,3,2,0,9) R0E-M0-N11-J21
Task 1482 of 4096 (1,0,3,2,0,10) R0E-M0-N11-J21
Task 1483 of 4096 (1,0,3,2,0,11) R0E-M0-N11-J21
Task 1484 of 4096 (1,0,3,2,0,12) R0E-M0-N11-J21
Task 1485 of 4096 (1,0,3,2,0,13) R0E-M0-N11-J21
Task 1486 of 4096 (1,0,3,2,0,14) R0E-M0-N11-J21
Task 1487 of 4096 (1,0,3,2,0,15) R0E-M0-N11-J21
Task 1488 of 4096 (1,0,3,2,1,0) R0E-M0-N11-J18
Task 1489 of 4096 (1,0,3,2,1,1) R0E-M0-N11-J18
Task 1490 of 4096 (1,0,3,2,1,2) R0E-M0-N11-J18
Task 1491 of 4096 (1,0,3,2,1,3) R0E-M0-N11-J18
Task 1492 of 4096 (1,0,3,2,1,4) R0E-M0-N11-J18
Task 1493 of 4096 (1,0,3,2,1,5) R0E-M0-N11-J18
Task 1494 of 4096 (1,0,3,2,1,6) R0E-M0-N11-J18
Task 1495 of 4096 (1,0,3,2,1,7) R0E-M0-N11-J18
Task 1496 of 4096 (1,0,3,2,1,8) R0E-M0-N11-J18
Task 1497 of 4096 (1,0,3,2,1,9) R0E-M0-N11-J18
Task 1498 of 4096 (1,0,3,2,1,10) R0E-M0-N11-J18
Task 1499 of 4096 (1,0,3,2,1,11) R0E-M0-N11-J18
Task 1500 of 4096 (1,0,3,2,1,12) R0E-M0-N11-J18
Task 1501 of 4096 (1,0,3,2,1,13) R0E-M0-N11-J18
Task 1502 of 4096 (1,0,3,2,1,14) R0E-M0-N11-J18
Task 1503 of 4096 (1,0,3,2,1,15) R0E-M0-N11-J18
Task 1504 of 4096 (1,0,3,3,0,0) R0E-M0-N11-J25
Task 1505 of 4096 (1,0,3,3,0,1) R0E-M0-N11-J25
Task 1506 of 4096 (1,0,3,3,0,2) R0E-M0-N11-J25
Task 1507 of 4096 (1,0,3,3,0,3) R0E-M0-N11-J25
Task 1508 of 4096 (1,0,3,3,0,4) R0E-M0-N11-J25
Task 1509 of 4096 (1,0,3,3,0,5) R0E-M0-N11-J25
Task 1510 of 4096 (1,0,3,3,0,6) R0E-M0-N11-J25
Task 1511 of 4096 (1,0,3,3,0,7) R0E-M0-N11-J25
Task 1512 of 4096 (1,0,3,3,0,8) R0E-M0-N11-J25
Task 1513 of 4096 (1,0,3,3,0,9) R0E-M0-N11-J25
Task 1514 of 4096 (1,0,3,3,0,10) R0E-M0-N11-J25
Task 1515 of 4096 (1,0,3,3,0,11) R0E-M0-N11-J25
Task 1516 of 4096 (1,0,3,3,0,12) R0E-M0-N11-J25
Task 1517 of 4096 (1,0,3,3,0,13) R0E-M0-N11-J25
Task 1518 of 4096 (1,0,3,3,0,14) R0E-M0-N11-J25
Task 1519 of 4096 (1,0,3,3,0,15) R0E-M0-N11-J25
Task 1520 of 4096 (1,0,3,3,1,0) R0E-M0-N11-J30
Task 1521 of 4096 (1,0,3,3,1,1) R0E-M0-N11-J30
Task 1522 of 4096 (1,0,3,3,1,2) R0E-M0-N11-J30
Task 1523 of 4096 (1,0,3,3,1,3) R0E-M0-N11-J30
Task 1524 of 4096 (1,0,3,3,1,4) R0E-M0-N11-J30
Task 1525 of 4096 (1,0,3,3,1,5) R0E-M0-N11-J30
Task 1526 of 4096 (1,0,3,3,1,6) R0E-M0-N11-J30
Task 1527 of 4096 (1,0,3,3,1,7) R0E-M0-N11-J30
Task 1528 of 4096 (1,0,3,3,1,8) R0E-M0-N11-J30
Task 1529 of 4096 (1,0,3,3,1,9) R0E-M0-N11-J30
Task 1530 of 4096 (1,0,3,3,1,10) R0E-M0-N11-J30
Task 1531 of 4096 (1,0,3,3,1,11) R0E-M0-N11-J30
Task 1532 of 4096 (1,0,3,3,1,12) R0E-M0-N11-J30
Task 1533 of 4096 (1,0,3,3,1,13) R0E-M0-N11-J30
Task 1534 of 4096 (1,0,3,3,1,14) R0E-M0-N11-J30
Task 1535 of 4096 (1,0,3,3,1,15) R0E-M0-N11-J30
Task 1536 of 4096 (1,1,0,0,0,0) R0E-M0-N08-J26
Task 1537 of 4096 (1,1,0,0,0,1) R0E-M0-N08-J26
Task 1538 of 4096 (1,1,0,0,0,2) R0E-M0-N08-J26
Task 1539 of 4096 (1,1,0,0,0,3) R0E-M0-N08-J26
Task 1540 of 4096 (1,1,0,0,0,4) R0E-M0-N08-J26
Task 1541 of 4096 (1,1,0,0,0,5) R0E-M0-N08-J26
Task 1542 of 4096 (1,1,0,0,0,6) R0E-M0-N08-J26
Task 1543 of 4096 (1,1,0,0,0,7) R0E-M0-N08-J26
Task 1544 of 4096 (1,1,0,0,0,8) R0E-M0-N08-J26
Task 1545 of 4096 (1,1,0,0,0,9) R0E-M0-N08-J26
Task 1546 of 4096 (1,1,0,0,0,10) R0E-M0-N08-J26
Task 1547 of 4096 (1,1,0,0,0,11) R0E-M0-N08-J26
Task 1548 of 4096 (1,1,0,0,0,12) R0E-M0-N08-J26
Task 1549 of 4096 (1,1,0,0,0,13) R0E-M0-N08-J26
Task 1550 of 4096 (1,1,0,0,0,14) R0E-M0-N08-J26
Task 1551 of 4096 (1,1,0,0,0,15) R0E-M0-N08-J26
Task 1552 of 4096 (1,1,0,0,1,0) R0E-M0-N08-J29
Task 1553 of 4096 (1,1,0,0,1,1) R0E-M0-N08-J29
Task 1554 of 4096 (1,1,0,0,1,2) R0E-M0-N08-J29
Task 1555 of 4096 (1,1,0,0,1,3) R0E-M0-N08-J29
Task 1556 of 4096 (1,1,0,0,1,4) R0E-M0-N08-J29
Task 1557 of 4096 (1,1,0,0,1,5) R0E-M0-N08-J29
Task 1558 of 4096 (1,1,0,0,1,6) R0E-M0-N08-J29
Task 1559 of 4096 (1,1,0,0,1,7) R0E-M0-N08-J29
Task 1560 of 4096 (1,1,0,0,1,8) R0E-M0-N08-J29
Task 1561 of 4096 (1,1,0,0,1,9) R0E-M0-N08-J29
Task 1562 of 4096 (1,1,0,0,1,10) R0E-M0-N08-J29
Task 1563 of 4096 (1,1,0,0,1,11) R0E-M0-N08-J29
Task 1564 of 4096 (1,1,0,0,1,12) R0E-M0-N08-J29
Task 1565 of 4096 (1,1,0,0,1,13) R0E-M0-N08-J29
Task 1566 of 4096 (1,1,0,0,1,14) R0E-M0-N08-J29
Task 1567 of 4096 (1,1,0,0,1,15) R0E-M0-N08-J29
Task 1568 of 4096 (1,1,0,1,0,0) R0E-M0-N08-J22
Task 1569 of 4096 (1,1,0,1,0,1) R0E-M0-N08-J22
Task 1570 of 4096 (1,1,0,1,0,2) R0E-M0-N08-J22
Task 1571 of 4096 (1,1,0,1,0,3) R0E-M0-N08-J22
Task 1572 of 4096 (1,1,0,1,0,4) R0E-M0-N08-J22
Task 1573 of 4096 (1,1,0,1,0,5) R0E-M0-N08-J22
Task 1574 of 4096 (1,1,0,1,0,6) R0E-M0-N08-J22
Task 1575 of 4096 (1,1,0,1,0,7) R0E-M0-N08-J22
Task 1576 of 4096 (1,1,0,1,0,8) R0E-M0-N08-J22
Task 1577 of 4096 (1,1,0,1,0,9) R0E-M0-N08-J22
Task 1578 of 4096 (1,1,0,1,0,10) R0E-M0-N08-J22
Task 1579 of 4096 (1,1,0,1,0,11) R0E-M0-N08-J22
Task 1580 of 4096 (1,1,0,1,0,12) R0E-M0-N08-J22
Task 1581 of 4096 (1,1,0,1,0,13) R0E-M0-N08-J22
Task 1582 of 4096 (1,1,0,1,0,14) R0E-M0-N08-J22
Task 1583 of 4096 (1,1,0,1,0,15) R0E-M0-N08-J22
Task 1584 of 4096 (1,1,0,1,1,0) R0E-M0-N08-J17
Task 1585 of 4096 (1,1,0,1,1,1) R0E-M0-N08-J17
Task 1586 of 4096 (1,1,0,1,1,2) R0E-M0-N08-J17
Task 1587 of 4096 (1,1,0,1,1,3) R0E-M0-N08-J17
Task 1588 of 4096 (1,1,0,1,1,4) R0E-M0-N08-J17
Task 1589 of 4096 (1,1,0,1,1,5) R0E-M0-N08-J17
Task 1590 of 4096 (1,1,0,1,1,6) R0E-M0-N08-J17
Task 1591 of 4096 (1,1,0,1,1,7) R0E-M0-N08-J17
Task 1592 of 4096 (1,1,0,1,1,8) R0E-M0-N08-J17
Task 1593 of 4096 (1,1,0,1,1,9) R0E-M0-N08-J17
Task 1594 of 4096 (1,1,0,1,1,10) R0E-M0-N08-J17
Task 1595 of 4096 (1,1,0,1,1,11) R0E-M0-N08-J17
Task 1596 of 4096 (1,1,0,1,1,12) R0E-M0-N08-J17
Task 1597 of 4096 (1,1,0,1,1,13) R0E-M0-N08-J17
Task 1598 of 4096 (1,1,0,1,1,14) R0E-M0-N08-J17
Task 1599 of 4096 (1,1,0,1,1,15) R0E-M0-N08-J17
Task 1600 of 4096 (1,1,0,2,0,0) R0E-M0-N10-J22
Task 1601 of 4096 (1,1,0,2,0,1) R0E-M0-N10-J22
Task 1602 of 4096 (1,1,0,2,0,2) R0E-M0-N10-J22
Task 1603 of 4096 (1,1,0,2,0,3) R0E-M0-N10-J22
Task 1604 of 4096 (1,1,0,2,0,4) R0E-M0-N10-J22
Task 1605 of 4096 (1,1,0,2,0,5) R0E-M0-N10-J22
Task 1606 of 4096 (1,1,0,2,0,6) R0E-M0-N10-J22
Task 1607 of 4096 (1,1,0,2,0,7) R0E-M0-N10-J22
Task 1608 of 4096 (1,1,0,2,0,8) R0E-M0-N10-J22
Task 1609 of 4096 (1,1,0,2,0,9) R0E-M0-N10-J22
Task 1610 of 4096 (1,1,0,2,0,10) R0E-M0-N10-J22
Task 1611 of 4096 (1,1,0,2,0,11) R0E-M0-N10-J22
Task 1612 of 4096 (1,1,0,2,0,12) R0E-M0-N10-J22
Task 1613 of 4096 (1,1,0,2,0,13) R0E-M0-N10-J22
Task 1614 of 4096 (1,1,0,2,0,14) R0E-M0-N10-J22
Task 1615 of 4096 (1,1,0,2,0,15) R0E-M0-N10-J22
Task 1616 of 4096 (1,1,0,2,1,0) R0E-M0-N10-J17
Task 1617 of 4096 (1,1,0,2,1,1) R0E-M0-N10-J17
Task 1618 of 4096 (1,1,0,2,1,2) R0E-M0-N10-J17
Task 1619 of 4096 (1,1,0,2,1,3) R0E-M0-N10-J17
Task 1620 of 4096 (1,1,0,2,1,4) R0E-M0-N10-J17
Task 1621 of 4096 (1,1,0,2,1,5) R0E-M0-N10-J17
Task 1622 of 4096 (1,1,0,2,1,6) R0E-M0-N10-J17
Task 1623 of 4096 (1,1,0,2,1,7) R0E-M0-N10-J17
Task 1624 of 4096 (1,1,0,2,1,8) R0E-M0-N10-J17
Task 1625 of 4096 (1,1,0,2,1,9) R0E-M0-N10-J17
Task 1626 of 4096 (1,1,0,2,1,10) R0E-M0-N10-J17
Task 1627 of 4096 (1,1,0,2,1,11) R0E-M0-N10-J17
Task 1628 of 4096 (1,1,0,2,1,12) R0E-M0-N10-J17
Task 1629 of 4096 (1,1,0,2,1,13) R0E-M0-N10-J17
Task 1630 of 4096 (1,1,0,2,1,14) R0E-M0-N10-J17
Task 1631 of 4096 (1,1,0,2,1,15) R0E-M0-N10-J17
Task 1632 of 4096 (1,1,0,3,0,0) R0E-M0-N10-J26
Task 1633 of 4096 (1,1,0,3,0,1) R0E-M0-N10-J26
Task 1634 of 4096 (1,1,0,3,0,2) R0E-M0-N10-J26
Task 1635 of 4096 (1,1,0,3,0,3) R0E-M0-N10-J26
Task 1636 of 4096 (1,1,0,3,0,4) R0E-M0-N10-J26
Task 1637 of 4096 (1,1,0,3,0,5) R0E-M0-N10-J26
Task 1638 of 4096 (1,1,0,3,0,6) R0E-M0-N10-J26
Task 1639 of 4096 (1,1,0,3,0,7) R0E-M0-N10-J26
Task 1640 of 4096 (1,1,0,3,0,8) R0E-M0-N10-J26
Task 1641 of 4096 (1,1,0,3,0,9) R0E-M0-N10-J26
Task 1642 of 4096 (1,1,0,3,0,10) R0E-M0-N10-J26
Task 1643 of 4096 (1,1,0,3,0,11) R0E-M0-N10-J26
Task 1644 of 4096 (1,1,0,3,0,12) R0E-M0-N10-J26
Task 1645 of 4096 (1,1,0,3,0,13) R0E-M0-N10-J26
Task 1646 of 4096 (1,1,0,3,0,14) R0E-M0-N10-J26
Task 1647 of 4096 (1,1,0,3,0,15) R0E-M0-N10-J26
Task 1648 of 4096 (1,1,0,3,1,0) R0E-M0-N10-J29
Task 1649 of 4096 (1,1,0,3,1,1) R0E-M0-N10-J29
Task 1650 of 4096 (1,1,0,3,1,2) R0E-M0-N10-J29
Task 1651 of 4096 (1,1,0,3,1,3) R0E-M0-N10-J29
Task 1652 of 4096 (1,1,0,3,1,4) R0E-M0-N10-J29
Task 1653 of 4096 (1,1,0,3,1,5) R0E-M0-N10-J29
Task 1654 of 4096 (1,1,0,3,1,6) R0E-M0-N10-J29
Task 1655 of 4096 (1,1,0,3,1,7) R0E-M0-N10-J29
Task 1656 of 4096 (1,1,0,3,1,8) R0E-M0-N10-J29
Task 1657 of 4096 (1,1,0,3,1,9) R0E-M0-N10-J29
Task 1658 of 4096 (1,1,0,3,1,10) R0E-M0-N10-J29
Task 1659 of 4096 (1,1,0,3,1,11) R0E-M0-N10-J29
Task 1660 of 4096 (1,1,0,3,1,12) R0E-M0-N10-J29
Task 1661 of 4096 (1,1,0,3,1,13) R0E-M0-N10-J29
Task 1662 of 4096 (1,1,0,3,1,14) R0E-M0-N10-J29
Task 1663 of 4096 (1,1,0,3,1,15) R0E-M0-N10-J29
Task 1664 of 4096 (1,1,1,0,0,0) R0E-M0-N08-J27
Task 1665 of 4096 (1,1,1,0,0,1) R0E-M0-N08-J27
Task 1666 of 4096 (1,1,1,0,0,2) R0E-M0-N08-J27
Task 1667 of 4096 (1,1,1,0,0,3) R0E-M0-N08-J27
Task 1668 of 4096 (1,1,1,0,0,4) R0E-M0-N08-J27
Task 1669 of 4096 (1,1,1,0,0,5) R0E-M0-N08-J27
Task 1670 of 4096 (1,1,1,0,0,6) R0E-M0-N08-J27
Task 1671 of 4096 (1,1,1,0,0,7) R0E-M0-N08-J27
Task 1672 of 4096 (1,1,1,0,0,8) R0E-M0-N08-J27
Task 1673 of 4096 (1,1,1,0,0,9) R0E-M0-N08-J27
Task 1674 of 4096 (1,1,1,0,0,10) R0E-M0-N08-J27
Task 1675 of 4096 (1,1,1,0,0,11) R0E-M0-N08-J27
Task 1676 of 4096 (1,1,1,0,0,12) R0E-M0-N08-J27
Task 1677 of 4096 (1,1,1,0,0,13) R0E-M0-N08-J27
Task 1678 of 4096 (1,1,1,0,0,14) R0E-M0-N08-J27
Task 1679 of 4096 (1,1,1,0,0,15) R0E-M0-N08-J27
Task 1680 of 4096 (1,1,1,0,1,0) R0E-M0-N08-J28
Task 1681 of 4096 (1,1,1,0,1,1) R0E-M0-N08-J28
Task 1682 of 4096 (1,1,1,0,1,2) R0E-M0-N08-J28
Task 1683 of 4096 (1,1,1,0,1,3) R0E-M0-N08-J28
Task 1684 of 4096 (1,1,1,0,1,4) R0E-M0-N08-J28
Task 1685 of 4096 (1,1,1,0,1,5) R0E-M0-N08-J28
Task 1686 of 4096 (1,1,1,0,1,6) R0E-M0-N08-J28
Task 1687 of 4096 (1,1,1,0,1,7) R0E-M0-N08-J28
Task 1688 of 4096 (1,1,1,0,1,8) R0E-M0-N08-J28
Task 1689 of 4096 (1,1,1,0,1,9) R0E-M0-N08-J28
Task 1690 of 4096 (1,1,1,0,1,10) R0E-M0-N08-J28
Task 1691 of 4096 (1,1,1,0,1,11) R0E-M0-N08-J28
Task 1692 of 4096 (1,1,1,0,1,12) R0E-M0-N08-J28
Task 1693 of 4096 (1,1,1,0,1,13) R0E-M0-N08-J28
Task 1694 of 4096 (1,1,1,0,1,14) R0E-M0-N08-J28
Task 1695 of 4096 (1,1,1,0,1,15) R0E-M0-N08-J28
Task 1696 of 4096 (1,1,1,1,0,0) R0E-M0-N08-J23
Task 1697 of 4096 (1,1,1,1,0,1) R0E-M0-N08-J23
Task 1698 of 4096 (1,1,1,1,0,2) R0E-M0-N08-J23
Task 1699 of 4096 (1,1,1,1,0,3) R0E-M0-N08-J23
Task 1700 of 4096 (1,1,1,1,0,4) R0E-M0-N08-J23
Task 1701 of 4096 (1,1,1,1,0,5) R0E-M0-N08-J23
Task 1702 of 4096 (1,1,1,1,0,6) R0E-M0-N08-J23
Task 1703 of 4096 (1,1,1,1,0,7) R0E-M0-N08-J23
Task 1704 of 4096 (1,1,1,1,0,8) R0E-M0-N08-J23
Task 1705 of 4096 (1,1,1,1,0,9) R0E-M0-N08-J23
Task 1706 of 4096 (1,1,1,1,0,10) R0E-M0-N08-J23
Task 1707 of 4096 (1,1,1,1,0,11) R0E-M0-N08-J23
Task 1708 of 4096 (1,1,1,1,0,12) R0E-M0-N08-J23
Task 1709 of 4096 (1,1,1,1,0,13) R0E-M0-N08-J23
Task 1710 of 4096 (1,1,1,1,0,14) R0E-M0-N08-J23
Task 1711 of 4096 (1,1,1,1,0,15) R0E-M0-N08-J23
Task 1712 of 4096 (1,1,1,1,1,0) R0E-M0-N08-J16
Task 1713 of 4096 (1,1,1,1,1,1) R0E-M0-N08-J16
Task 1714 of 4096 (1,1,1,1,1,2) R0E-M0-N08-J16
Task 1715 of 4096 (1,1,1,1,1,3) R0E-M0-N08-J16
Task 1716 of 4096 (1,1,1,1,1,4) R0E-M0-N08-J16
Task 1717 of 4096 (1,1,1,1,1,5) R0E-M0-N08-J16
Task 1718 of 4096 (1,1,1,1,1,6) R0E-M0-N08-J16
Task 1719 of 4096 (1,1,1,1,1,7) R0E-M0-N08-J16
Task 1720 of 4096 (1,1,1,1,1,8) R0E-M0-N08-J16
Task 1721 of 4096 (1,1,1,1,1,9) R0E-M0-N08-J16
Task 1722 of 4096 (1,1,1,1,1,10) R0E-M0-N08-J16
Task 1723 of 4096 (1,1,1,1,1,11) R0E-M0-N08-J16
Task 1724 of 4096 (1,1,1,1,1,12) R0E-M0-N08-J16
Task 1725 of 4096 (1,1,1,1,1,13) R0E-M0-N08-J16
Task 1726 of 4096 (1,1,1,1,1,14) R0E-M0-N08-J16
Task 1727 of 4096 (1,1,1,1,1,15) R0E-M0-N08-J16
Task 1728 of 4096 (1,1,1,2,0,0) R0E-M0-N10-J23
Task 1729 of 4096 (1,1,1,2,0,1) R0E-M0-N10-J23
Task 1730 of 4096 (1,1,1,2,0,2) R0E-M0-N10-J23
Task 1731 of 4096 (1,1,1,2,0,3) R0E-M0-N10-J23
Task 1732 of 4096 (1,1,1,2,0,4) R0E-M0-N10-J23
Task 1733 of 4096 (1,1,1,2,0,5) R0E-M0-N10-J23
Task 1734 of 4096 (1,1,1,2,0,6) R0E-M0-N10-J23
Task 1735 of 4096 (1,1,1,2,0,7) R0E-M0-N10-J23
Task 1736 of 4096 (1,1,1,2,0,8) R0E-M0-N10-J23
Task 1737 of 4096 (1,1,1,2,0,9) R0E-M0-N10-J23
Task 1738 of 4096 (1,1,1,2,0,10) R0E-M0-N10-J23
Task 1739 of 4096 (1,1,1,2,0,11) R0E-M0-N10-J23
Task 1740 of 4096 (1,1,1,2,0,12) R0E-M0-N10-J23
Task 1741 of 4096 (1,1,1,2,0,13) R0E-M0-N10-J23
Task 1742 of 4096 (1,1,1,2,0,14) R0E-M0-N10-J23
Task 1743 of 4096 (1,1,1,2,0,15) R0E-M0-N10-J23
Task 1744 of 4096 (1,1,1,2,1,0) R0E-M0-N10-J16
Task 1745 of 4096 (1,1,1,2,1,1) R0E-M0-N10-J16
Task 1746 of 4096 (1,1,1,2,1,2) R0E-M0-N10-J16
Task 1747 of 4096 (1,1,1,2,1,3) R0E-M0-N10-J16
Task 1748 of 4096 (1,1,1,2,1,4) R0E-M0-N10-J16
Task 1749 of 4096 (1,1,1,2,1,5) R0E-M0-N10-J16
Task 1750 of 4096 (1,1,1,2,1,6) R0E-M0-N10-J16
Task 1751 of 4096 (1,1,1,2,1,7) R0E-M0-N10-J16
Task 1752 of 4096 (1,1,1,2,1,8) R0E-M0-N10-J16
Task 1753 of 4096 (1,1,1,2,1,9) R0E-M0-N10-J16
Task 1754 of 4096 (1,1,1,2,1,10) R0E-M0-N10-J16
Task 1755 of 4096 (1,1,1,2,1,11) R0E-M0-N10-J16
Task 1756 of 4096 (1,1,1,2,1,12) R0E-M0-N10-J16
Task 1757 of 4096 (1,1,1,2,1,13) R0E-M0-N10-J16
Task 1758 of 4096 (1,1,1,2,1,14) R0E-M0-N10-J16
Task 1759 of 4096 (1,1,1,2,1,15) R0E-M0-N10-J16
Task 1760 of 4096 (1,1,1,3,0,0) R0E-M0-N10-J27
Task 1761 of 4096 (1,1,1,3,0,1) R0E-M0-N10-J27
Task 1762 of 4096 (1,1,1,3,0,2) R0E-M0-N10-J27
Task 1763 of 4096 (1,1,1,3,0,3) R0E-M0-N10-J27
Task 1764 of 4096 (1,1,1,3,0,4) R0E-M0-N10-J27
Task 1765 of 4096 (1,1,1,3,0,5) R0E-M0-N10-J27
Task 1766 of 4096 (1,1,1,3,0,6) R0E-M0-N10-J27
Task 1767 of 4096 (1,1,1,3,0,7) R0E-M0-N10-J27
Task 1768 of 4096 (1,1,1,3,0,8) R0E-M0-N10-J27
Task 1769 of 4096 (1,1,1,3,0,9) R0E-M0-N10-J27
Task 1770 of 4096 (1,1,1,3,0,10) R0E-M0-N10-J27
Task 1771 of 4096 (1,1,1,3,0,11) R0E-M0-N10-J27
Task 1772 of 4096 (1,1,1,3,0,12) R0E-M0-N10-J27
Task 1773 of 4096 (1,1,1,3,0,13) R0E-M0-N10-J27
Task 1774 of 4096 (1,1,1,3,0,14) R0E-M0-N10-J27
Task 1775 of 4096 (1,1,1,3,0,15) R0E-M0-N10-J27
Task 1776 of 4096 (1,1,1,3,1,0) R0E-M0-N10-J28
Task 1777 of 4096 (1,1,1,3,1,1) R0E-M0-N10-J28
Task 1778 of 4096 (1,1,1,3,1,2) R0E-M0-N10-J28
Task 1779 of 4096 (1,1,1,3,1,3) R0E-M0-N10-J28
Task 1780 of 4096 (1,1,1,3,1,4) R0E-M0-N10-J28
Task 1781 of 4096 (1,1,1,3,1,5) R0E-M0-N10-J28
Task 1782 of 4096 (1,1,1,3,1,6) R0E-M0-N10-J28
Task 1783 of 4096 (1,1,1,3,1,7) R0E-M0-N10-J28
Task 1784 of 4096 (1,1,1,3,1,8) R0E-M0-N10-J28
Task 1785 of 4096 (1,1,1,3,1,9) R0E-M0-N10-J28
Task 1786 of 4096 (1,1,1,3,1,10) R0E-M0-N10-J28
Task 1787 of 4096 (1,1,1,3,1,11) R0E-M0-N10-J28
Task 1788 of 4096 (1,1,1,3,1,12) R0E-M0-N10-J28
Task 1789 of 4096 (1,1,1,3,1,13) R0E-M0-N10-J28
Task 1790 of 4096 (1,1,1,3,1,14) R0E-M0-N10-J28
Task 1791 of 4096 (1,1,1,3,1,15) R0E-M0-N10-J28
Task 1792 of 4096 (1,1,2,0,0,0) R0E-M0-N09-J27
Task 1793 of 4096 (1,1,2,0,0,1) R0E-M0-N09-J27
Task 1794 of 4096 (1,1,2,0,0,2) R0E-M0-N09-J27
Task 1795 of 4096 (1,1,2,0,0,3) R0E-M0-N09-J27
Task 1796 of 4096 (1,1,2,0,0,4) R0E-M0-N09-J27
Task 1797 of 4096 (1,1,2,0,0,5) R0E-M0-N09-J27
Task 1798 of 4096 (1,1,2,0,0,6) R0E-M0-N09-J27
Task 1799 of 4096 (1,1,2,0,0,7) R0E-M0-N09-J27
Task 1800 of 4096 (1,1,2,0,0,8) R0E-M0-N09-J27
Task 1801 of 4096 (1,1,2,0,0,9) R0E-M0-N09-J27
Task 1802 of 4096 (1,1,2,0,0,10) R0E-M0-N09-J27
Task 1803 of 4096 (1,1,2,0,0,11) R0E-M0-N09-J27
Task 1804 of 4096 (1,1,2,0,0,12) R0E-M0-N09-J27
Task 1805 of 4096 (1,1,2,0,0,13) R0E-M0-N09-J27
Task 1806 of 4096 (1,1,2,0,0,14) R0E-M0-N09-J27
Task 1807 of 4096 (1,1,2,0,0,15) R0E-M0-N09-J27
Task 1808 of 4096 (1,1,2,0,1,0) R0E-M0-N09-J28
Task 1809 of 4096 (1,1,2,0,1,1) R0E-M0-N09-J28
Task 1810 of 4096 (1,1,2,0,1,2) R0E-M0-N09-J28
Task 1811 of 4096 (1,1,2,0,1,3) R0E-M0-N09-J28
Task 1812 of 4096 (1,1,2,0,1,4) R0E-M0-N09-J28
Task 1813 of 4096 (1,1,2,0,1,5) R0E-M0-N09-J28
Task 1814 of 4096 (1,1,2,0,1,6) R0E-M0-N09-J28
Task 1815 of 4096 (1,1,2,0,1,7) R0E-M0-N09-J28
Task 1816 of 4096 (1,1,2,0,1,8) R0E-M0-N09-J28
Task 1817 of 4096 (1,1,2,0,1,9) R0E-M0-N09-J28
Task 1818 of 4096 (1,1,2,0,1,10) R0E-M0-N09-J28
Task 1819 of 4096 (1,1,2,0,1,11) R0E-M0-N09-J28
Task 1820 of 4096 (1,1,2,0,1,12) R0E-M0-N09-J28
Task 1821 of 4096 (1,1,2,0,1,13) R0E-M0-N09-J28
Task 1822 of 4096 (1,1,2,0,1,14) R0E-M0-N09-J28
Task 1823 of 4096 (1,1,2,0,1,15) R0E-M0-N09-J28
Task 1824 of 4096 (1,1,2,1,0,0) R0E-M0-N09-J23
Task 1825 of 4096 (1,1,2,1,0,1) R0E-M0-N09-J23
Task 1826 of 4096 (1,1,2,1,0,2) R0E-M0-N09-J23
Task 1827 of 4096 (1,1,2,1,0,3) R0E-M0-N09-J23
Task 1828 of 4096 (1,1,2,1,0,4) R0E-M0-N09-J23
Task 1829 of 4096 (1,1,2,1,0,5) R0E-M0-N09-J23
Task 1830 of 4096 (1,1,2,1,0,6) R0E-M0-N09-J23
Task 1831 of 4096 (1,1,2,1,0,7) R0E-M0-N09-J23
Task 1832 of 4096 (1,1,2,1,0,8) R0E-M0-N09-J23
Task 1833 of 4096 (1,1,2,1,0,9) R0E-M0-N09-J23
Task 1834 of 4096 (1,1,2,1,0,10) R0E-M0-N09-J23
Task 1835 of 4096 (1,1,2,1,0,11) R0E-M0-N09-J23
Task 1836 of 4096 (1,1,2,1,0,12) R0E-M0-N09-J23
Task 1837 of 4096 (1,1,2,1,0,13) R0E-M0-N09-J23
Task 1838 of 4096 (1,1,2,1,0,14) R0E-M0-N09-J23
Task 1839 of 4096 (1,1,2,1,0,15) R0E-M0-N09-J23
Task 1840 of 4096 (1,1,2,1,1,0) R0E-M0-N09-J16
Task 1841 of 4096 (1,1,2,1,1,1) R0E-M0-N09-J16
Task 1842 of 4096 (1,1,2,1,1,2) R0E-M0-N09-J16
Task 1843 of 4096 (1,1,2,1,1,3) R0E-M0-N09-J16
Task 1844 of 4096 (1,1,2,1,1,4) R0E-M0-N09-J16
Task 1845 of 4096 (1,1,2,1,1,5) R0E-M0-N09-J16
Task 1846 of 4096 (1,1,2,1,1,6) R0E-M0-N09-J16
Task 1847 of 4096 (1,1,2,1,1,7) R0E-M0-N09-J16
Task 1848 of 4096 (1,1,2,1,1,8) R0E-M0-N09-J16
Task 1849 of 4096 (1,1,2,1,1,9) R0E-M0-N09-J16
Task 1850 of 4096 (1,1,2,1,1,10) R0E-M0-N09-J16
Task 1851 of 4096 (1,1,2,1,1,11) R0E-M0-N09-J16
Task 1852 of 4096 (1,1,2,1,1,12) R0E-M0-N09-J16
Task 1853 of 4096 (1,1,2,1,1,13) R0E-M0-N09-J16
Task 1854 of 4096 (1,1,2,1,1,14) R0E-M0-N09-J16
Task 1855 of 4096 (1,1,2,1,1,15) R0E-M0-N09-J16
Task 1856 of 4096 (1,1,2,2,0,0) R0E-M0-N11-J23
Task 1857 of 4096 (1,1,2,2,0,1) R0E-M0-N11-J23
Task 1858 of 4096 (1,1,2,2,0,2) R0E-M0-N11-J23
Task 1859 of 4096 (1,1,2,2,0,3) R0E-M0-N11-J23
Task 1860 of 4096 (1,1,2,2,0,4) R0E-M0-N11-J23
Task 1861 of 4096 (1,1,2,2,0,5) R0E-M0-N11-J23
Task 1862 of 4096 (1,1,2,2,0,6) R0E-M0-N11-J23
Task 1863 of 4096 (1,1,2,2,0,7) R0E-M0-N11-J23
Task 1864 of 4096 (1,1,2,2,0,8) R0E-M0-N11-J23
Task 1865 of 4096 (1,1,2,2,0,9) R0E-M0-N11-J23
Task 1866 of 4096 (1,1,2,2,0,10) R0E-M0-N11-J23
Task 1867 of 4096 (1,1,2,2,0,11) R0E-M0-N11-J23
Task 1868 of 4096 (1,1,2,2,0,12) R0E-M0-N11-J23
Task 1869 of 4096 (1,1,2,2,0,13) R0E-M0-N11-J23
Task 1870 of 4096 (1,1,2,2,0,14) R0E-M0-N11-J23
Task 1871 of 4096 (1,1,2,2,0,15) R0E-M0-N11-J23
Task 1872 of 4096 (1,1,2,2,1,0) R0E-M0-N11-J16
Task 1873 of 4096 (1,1,2,2,1,1) R0E-M0-N11-J16
Task 1874 of 4096 (1,1,2,2,1,2) R0E-M0-N11-J16
Task 1875 of 4096 (1,1,2,2,1,3) R0E-M0-N11-J16
Task 1876 of 4096 (1,1,2,2,1,4) R0E-M0-N11-J16
Task 1877 of 4096 (1,1,2,2,1,5) R0E-M0-N11-J16
Task 1878 of 4096 (1,1,2,2,1,6) R0E-M0-N11-J16
Task 1879 of 4096 (1,1,2,2,1,7) R0E-M0-N11-J16
Task 1880 of 4096 (1,1,2,2,1,8) R0E-M0-N11-J16
Task 1881 of 4096 (1,1,2,2,1,9) R0E-M0-N11-J16
Task 1882 of 4096 (1,1,2,2,1,10) R0E-M0-N11-J16
Task 1883 of 4096 (1,1,2,2,1,11) R0E-M0-N11-J16
Task 1884 of 4096 (1,1,2,2,1,12) R0E-M0-N11-J16
Task 1885 of 4096 (1,1,2,2,1,13) R0E-M0-N11-J16
Task 1886 of 4096 (1,1,2,2,1,14) R0E-M0-N11-J16
Task 1887 of 4096 (1,1,2,2,1,15) R0E-M0-N11-J16
Task 1888 of 4096 (1,1,2,3,0,0) R0E-M0-N11-J27
Task 1889 of 4096 (1,1,2,3,0,1) R0E-M0-N11-J27
Task 1890 of 4096 (1,1,2,3,0,2) R0E-M0-N11-J27
Task 1891 of 4096 (1,1,2,3,0,3) R0E-M0-N11-J27
Task 1892 of 4096 (1,1,2,3,0,4) R0E-M0-N11-J27
Task 1893 of 4096 (1,1,2,3,0,5) R0E-M0-N11-J27
Task 1894 of 4096 (1,1,2,3,0,6) R0E-M0-N11-J27
Task 1895 of 4096 (1,1,2,3,0,7) R0E-M0-N11-J27
Task 1896 of 4096 (1,1,2,3,0,8) R0E-M0-N11-J27
Task 1897 of 4096 (1,1,2,3,0,9) R0E-M0-N11-J27
Task 1898 of 4096 (1,1,2,3,0,10) R0E-M0-N11-J27
Task 1899 of 4096 (1,1,2,3,0,11) R0E-M0-N11-J27
Task 1900 of 4096 (1,1,2,3,0,12) R0E-M0-N11-J27
Task 1901 of 4096 (1,1,2,3,0,13) R0E-M0-N11-J27
Task 1902 of 4096 (1,1,2,3,0,14) R0E-M0-N11-J27
Task 1903 of 4096 (1,1,2,3,0,15) R0E-M0-N11-J27
Task 1904 of 4096 (1,1,2,3,1,0) R0E-M0-N11-J28
Task 1905 of 4096 (1,1,2,3,1,1) R0E-M0-N11-J28
Task 1906 of 4096 (1,1,2,3,1,2) R0E-M0-N11-J28
Task 1907 of 4096 (1,1,2,3,1,3) R0E-M0-N11-J28
Task 1908 of 4096 (1,1,2,3,1,4) R0E-M0-N11-J28
Task 1909 of 4096 (1,1,2,3,1,5) R0E-M0-N11-J28
Task 1910 of 4096 (1,1,2,3,1,6) R0E-M0-N11-J28
Task 1911 of 4096 (1,1,2,3,1,7) R0E-M0-N11-J28
Task 1912 of 4096 (1,1,2,3,1,8) R0E-M0-N11-J28
Task 1913 of 4096 (1,1,2,3,1,9) R0E-M0-N11-J28
Task 1914 of 4096 (1,1,2,3,1,10) R0E-M0-N11-J28
Task 1915 of 4096 (1,1,2,3,1,11) R0E-M0-N11-J28
Task 1916 of 4096 (1,1,2,3,1,12) R0E-M0-N11-J28
Task 1917 of 4096 (1,1,2,3,1,13) R0E-M0-N11-J28
Task 1918 of 4096 (1,1,2,3,1,14) R0E-M0-N11-J28
Task 1919 of 4096 (1,1,2,3,1,15) R0E-M0-N11-J28
Task 1920 of 4096 (1,1,3,0,0,0) R0E-M0-N09-J26
Task 1921 of 4096 (1,1,3,0,0,1) R0E-M0-N09-J26
Task 1922 of 4096 (1,1,3,0,0,2) R0E-M0-N09-J26
Task 1923 of 4096 (1,1,3,0,0,3) R0E-M0-N09-J26
Task 1924 of 4096 (1,1,3,0,0,4) R0E-M0-N09-J26
Task 1925 of 4096 (1,1,3,0,0,5) R0E-M0-N09-J26
Task 1926 of 4096 (1,1,3,0,0,6) R0E-M0-N09-J26
Task 1927 of 4096 (1,1,3,0,0,7) R0E-M0-N09-J26
Task 1928 of 4096 (1,1,3,0,0,8) R0E-M0-N09-J26
Task 1929 of 4096 (1,1,3,0,0,9) R0E-M0-N09-J26
Task 1930 of 4096 (1,1,3,0,0,10) R0E-M0-N09-J26
Task 1931 of 4096 (1,1,3,0,0,11) R0E-M0-N09-J26
Task 1932 of 4096 (1,1,3,0,0,12) R0E-M0-N09-J26
Task 1933 of 4096 (1,1,3,0,0,13) R0E-M0-N09-J26
Task 1934 of 4096 (1,1,3,0,0,14) R0E-M0-N09-J26
Task 1935 of 4096 (1,1,3,0,0,15) R0E-M0-N09-J26
Task 1936 of 4096 (1,1,3,0,1,0) R0E-M0-N09-J29
Task 1937 of 4096 (1,1,3,0,1,1) R0E-M0-N09-J29
Task 1938 of 4096 (1,1,3,0,1,2) R0E-M0-N09-J29
Task 1939 of 4096 (1,1,3,0,1,3) R0E-M0-N09-J29
Task 1940 of 4096 (1,1,3,0,1,4) R0E-M0-N09-J29
Task 1941 of 4096 (1,1,3,0,1,5) R0E-M0-N09-J29
Task 1942 of 4096 (1,1,3,0,1,6) R0E-M0-N09-J29
Task 1943 of 4096 (1,1,3,0,1,7) R0E-M0-N09-J29
Task 1944 of 4096 (1,1,3,0,1,8) R0E-M0-N09-J29
Task 1945 of 4096 (1,1,3,0,1,9) R0E-M0-N09-J29
Task 1946 of 4096 (1,1,3,0,1,10) R0E-M0-N09-J29
Task 1947 of 4096 (1,1,3,0,1,11) R0E-M0-N09-J29
Task 1948 of 4096 (1,1,3,0,1,12) R0E-M0-N09-J29
Task 1949 of 4096 (1,1,3,0,1,13) R0E-M0-N09-J29
Task 1950 of 4096 (1,1,3,0,1,14) R0E-M0-N09-J29
Task 1951 of 4096 (1,1,3,0,1,15) R0E-M0-N09-J29
Task 1952 of 4096 (1,1,3,1,0,0) R0E-M0-N09-J22
Task 1953 of 4096 (1,1,3,1,0,1) R0E-M0-N09-J22
Task 1954 of 4096 (1,1,3,1,0,2) R0E-M0-N09-J22
Task 1955 of 4096 (1,1,3,1,0,3) R0E-M0-N09-J22
Task 1956 of 4096 (1,1,3,1,0,4) R0E-M0-N09-J22
Task 1957 of 4096 (1,1,3,1,0,5) R0E-M0-N09-J22
Task 1958 of 4096 (1,1,3,1,0,6) R0E-M0-N09-J22
Task 1959 of 4096 (1,1,3,1,0,7) R0E-M0-N09-J22
Task 1960 of 4096 (1,1,3,1,0,8) R0E-M0-N09-J22
Task 1961 of 4096 (1,1,3,1,0,9) R0E-M0-N09-J22
Task 1962 of 4096 (1,1,3,1,0,10) R0E-M0-N09-J22
Task 1963 of 4096 (1,1,3,1,0,11) R0E-M0-N09-J22
Task 1964 of 4096 (1,1,3,1,0,12) R0E-M0-N09-J22
Task 1965 of 4096 (1,1,3,1,0,13) R0E-M0-N09-J22
Task 1966 of 4096 (1,1,3,1,0,14) R0E-M0-N09-J22
Task 1967 of 4096 (1,1,3,1,0,15) R0E-M0-N09-J22
Task 1968 of 4096 (1,1,3,1,1,0) R0E-M0-N09-J17
Task 1969 of 4096 (1,1,3,1,1,1) R0E-M0-N09-J17
Task 1970 of 4096 (1,1,3,1,1,2) R0E-M0-N09-J17
Task 1971 of 4096 (1,1,3,1,1,3) R0E-M0-N09-J17
Task 1972 of 4096 (1,1,3,1,1,4) R0E-M0-N09-J17
Task 1973 of 4096 (1,1,3,1,1,5) R0E-M0-N09-J17
Task 1974 of 4096 (1,1,3,1,1,6) R0E-M0-N09-J17
Task 1975 of 4096 (1,1,3,1,1,7) R0E-M0-N09-J17
Task 1976 of 4096 (1,1,3,1,1,8) R0E-M0-N09-J17
Task 1977 of 4096 (1,1,3,1,1,9) R0E-M0-N09-J17
Task 1978 of 4096 (1,1,3,1,1,10) R0E-M0-N09-J17
Task 1979 of 4096 (1,1,3,1,1,11) R0E-M0-N09-J17
Task 1980 of 4096 (1,1,3,1,1,12) R0E-M0-N09-J17
Task 1981 of 4096 (1,1,3,1,1,13) R0E-M0-N09-J17
Task 1982 of 4096 (1,1,3,1,1,14) R0E-M0-N09-J17
Task 1983 of 4096 (1,1,3,1,1,15) R0E-M0-N09-J17
Task 1984 of 4096 (1,1,3,2,0,0) R0E-M0-N11-J22
Task 1985 of 4096 (1,1,3,2,0,1) R0E-M0-N11-J22
Task 1986 of 4096 (1,1,3,2,0,2) R0E-M0-N11-J22
Task 1987 of 4096 (1,1,3,2,0,3) R0E-M0-N11-J22
Task 1988 of 4096 (1,1,3,2,0,4) R0E-M0-N11-J22
Task 1989 of 4096 (1,1,3,2,0,5) R0E-M0-N11-J22
Task 1990 of 4096 (1,1,3,2,0,6) R0E-M0-N11-J22
Task 1991 of 4096 (1,1,3,2,0,7) R0E-M0-N11-J22
Task 1992 of 4096 (1,1,3,2,0,8) R0E-M0-N11-J22
Task 1993 of 4096 (1,1,3,2,0,9) R0E-M0-N11-J22
Task 1994 of 4096 (1,1,3,2,0,10) R0E-M0-N11-J22
Task 1995 of 4096 (1,1,3,2,0,11) R0E-M0-N11-J22
Task 1996 of 4096 (1,1,3,2,0,12) R0E-M0-N11-J22
Task 1997 of 4096 (1,1,3,2,0,13) R0E-M0-N11-J22
Task 1998 of 4096 (1,1,3,2,0,14) R0E-M0-N11-J22
Task 1999 of 4096 (1,1,3,2,0,15) R0E-M0-N11-J22
Task 2000 of 4096 (1,1,3,2,1,0) R0E-M0-N11-J17
Task 2001 of 4096 (1,1,3,2,1,1) R0E-M0-N11-J17
Task 2002 of 4096 (1,1,3,2,1,2) R0E-M0-N11-J17
Task 2003 of 4096 (1,1,3,2,1,3) R0E-M0-N11-J17
Task 2004 of 4096 (1,1,3,2,1,4) R0E-M0-N11-J17
Task 2005 of 4096 (1,1,3,2,1,5) R0E-M0-N11-J17
Task 2006 of 4096 (1,1,3,2,1,6) R0E-M0-N11-J17
Task 2007 of 4096 (1,1,3,2,1,7) R0E-M0-N11-J17
Task 2008 of 4096 (1,1,3,2,1,8) R0E-M0-N11-J17
Task 2009 of 4096 (1,1,3,2,1,9) R0E-M0-N11-J17
Task 2010 of 4096 (1,1,3,2,1,10) R0E-M0-N11-J17
Task 2011 of 4096 (1,1,3,2,1,11) R0E-M0-N11-J17
Task 2012 of 4096 (1,1,3,2,1,12) R0E-M0-N11-J17
Task 2013 of 4096 (1,1,3,2,1,13) R0E-M0-N11-J17
Task 2014 of 4096 (1,1,3,2,1,14) R0E-M0-N11-J17
Task 2015 of 4096 (1,1,3,2,1,15) R0E-M0-N11-J17
Task 2016 of 4096 (1,1,3,3,0,0) R0E-M0-N11-J26
Task 2017 of 4096 (1,1,3,3,0,1) R0E-M0-N11-J26
Task 2018 of 4096 (1,1,3,3,0,2) R0E-M0-N11-J26
Task 2019 of 4096 (1,1,3,3,0,3) R0E-M0-N11-J26
Task 2020 of 4096 (1,1,3,3,0,4) R0E-M0-N11-J26
Task 2021 of 4096 (1,1,3,3,0,5) R0E-M0-N11-J26
Task 2022 of 4096 (1,1,3,3,0,6) R0E-M0-N11-J26
Task 2023 of 4096 (1,1,3,3,0,7) R0E-M0-N11-J26
Task 2024 of 4096 (1,1,3,3,0,8) R0E-M0-N11-J26
Task 2025 of 4096 (1,1,3,3,0,9) R0E-M0-N11-J26
Task 2026 of 4096 (1,1,3,3,0,10) R0E-M0-N11-J26
Task 2027 of 4096 (1,1,3,3,0,11) R0E-M0-N11-J26
Task 2028 of 4096 (1,1,3,3,0,12) R0E-M0-N11-J26
Task 2029 of 4096 (1,1,3,3,0,13) R0E-M0-N11-J26
Task 2030 of 4096 (1,1,3,3,0,14) R0E-M0-N11-J26
Task 2031 of 4096 (1,1,3,3,0,15) R0E-M0-N11-J26
Task 2032 of 4096 (1,1,3,3,1,0) R0E-M0-N11-J29
Task 2033 of 4096 (1,1,3,3,1,1) R0E-M0-N11-J29
Task 2034 of 4096 (1,1,3,3,1,2) R0E-M0-N11-J29
Task 2035 of 4096 (1,1,3,3,1,3) R0E-M0-N11-J29
Task 2036 of 4096 (1,1,3,3,1,4) R0E-M0-N11-J29
Task 2037 of 4096 (1,1,3,3,1,5) R0E-M0-N11-J29
Task 2038 of 4096 (1,1,3,3,1,6) R0E-M0-N11-J29
Task 2039 of 4096 (1,1,3,3,1,7) R0E-M0-N11-J29
Task 2040 of 4096 (1,1,3,3,1,8) R0E-M0-N11-J29
Task 2041 of 4096 (1,1,3,3,1,9) R0E-M0-N11-J29
Task 2042 of 4096 (1,1,3,3,1,10) R0E-M0-N11-J29
Task 2043 of 4096 (1,1,3,3,1,11) R0E-M0-N11-J29
Task 2044 of 4096 (1,1,3,3,1,12) R0E-M0-N11-J29
Task 2045 of 4096 (1,1,3,3,1,13) R0E-M0-N11-J29
Task 2046 of 4096 (1,1,3,3,1,14) R0E-M0-N11-J29
Task 2047 of 4096 (1,1,3,3,1,15) R0E-M0-N11-J29
Task 2048 of 4096 (2,0,0,0,0,0) R0E-M0-N12-J25
Task 2049 of 4096 (2,0,0,0,0,1) R0E-M0-N12-J25
Task 2050 of 4096 (2,0,0,0,0,2) R0E-M0-N12-J25
Task 2051 of 4096 (2,0,0,0,0,3) R0E-M0-N12-J25
Task 2052 of 4096 (2,0,0,0,0,4) R0E-M0-N12-J25
Task 2053 of 4096 (2,0,0,0,0,5) R0E-M0-N12-J25
Task 2054 of 4096 (2,0,0,0,0,6) R0E-M0-N12-J25
Task 2055 of 4096 (2,0,0,0,0,7) R0E-M0-N12-J25
Task 2056 of 4096 (2,0,0,0,0,8) R0E-M0-N12-J25
Task 2057 of 4096 (2,0,0,0,0,9) R0E-M0-N12-J25
Task 2058 of 4096 (2,0,0,0,0,10) R0E-M0-N12-J25
Task 2059 of 4096 (2,0,0,0,0,11) R0E-M0-N12-J25
Task 2060 of 4096 (2,0,0,0,0,12) R0E-M0-N12-J25
Task 2061 of 4096 (2,0,0,0,0,13) R0E-M0-N12-J25
Task 2062 of 4096 (2,0,0,0,0,14) R0E-M0-N12-J25
Task 2063 of 4096 (2,0,0,0,0,15) R0E-M0-N12-J25
Task 2064 of 4096 (2,0,0,0,1,0) R0E-M0-N12-J30
Task 2065 of 4096 (2,0,0,0,1,1) R0E-M0-N12-J30
Task 2066 of 4096 (2,0,0,0,1,2) R0E-M0-N12-J30
Task 2067 of 4096 (2,0,0,0,1,3) R0E-M0-N12-J30
Task 2068 of 4096 (2,0,0,0,1,4) R0E-M0-N12-J30
Task 2069 of 4096 (2,0,0,0,1,5) R0E-M0-N12-J30
Task 2070 of 4096 (2,0,0,0,1,6) R0E-M0-N12-J30
Task 2071 of 4096 (2,0,0,0,1,7) R0E-M0-N12-J30
Task 2072 of 4096 (2,0,0,0,1,8) R0E-M0-N12-J30
Task 2073 of 4096 (2,0,0,0,1,9) R0E-M0-N12-J30
Task 2074 of 4096 (2,0,0,0,1,10) R0E-M0-N12-J30
Task 2075 of 4096 (2,0,0,0,1,11) R0E-M0-N12-J30
Task 2076 of 4096 (2,0,0,0,1,12) R0E-M0-N12-J30
Task 2077 of 4096 (2,0,0,0,1,13) R0E-M0-N12-J30
Task 2078 of 4096 (2,0,0,0,1,14) R0E-M0-N12-J30
Task 2079 of 4096 (2,0,0,0,1,15) R0E-M0-N12-J30
Task 2080 of 4096 (2,0,0,1,0,0) R0E-M0-N12-J21
Task 2081 of 4096 (2,0,0,1,0,1) R0E-M0-N12-J21
Task 2082 of 4096 (2,0,0,1,0,2) R0E-M0-N12-J21
Task 2083 of 4096 (2,0,0,1,0,3) R0E-M0-N12-J21
Task 2084 of 4096 (2,0,0,1,0,4) R0E-M0-N12-J21
Task 2085 of 4096 (2,0,0,1,0,5) R0E-M0-N12-J21
Task 2086 of 4096 (2,0,0,1,0,6) R0E-M0-N12-J21
Task 2087 of 4096 (2,0,0,1,0,7) R0E-M0-N12-J21
Task 2088 of 4096 (2,0,0,1,0,8) R0E-M0-N12-J21
Task 2089 of 4096 (2,0,0,1,0,9) R0E-M0-N12-J21
Task 2090 of 4096 (2,0,0,1,0,10) R0E-M0-N12-J21
Task 2091 of 4096 (2,0,0,1,0,11) R0E-M0-N12-J21
Task 2092 of 4096 (2,0,0,1,0,12) R0E-M0-N12-J21
Task 2093 of 4096 (2,0,0,1,0,13) R0E-M0-N12-J21
Task 2094 of 4096 (2,0,0,1,0,14) R0E-M0-N12-J21
Task 2095 of 4096 (2,0,0,1,0,15) R0E-M0-N12-J21
Task 2096 of 4096 (2,0,0,1,1,0) R0E-M0-N12-J18
Task 2097 of 4096 (2,0,0,1,1,1) R0E-M0-N12-J18
Task 2098 of 4096 (2,0,0,1,1,2) R0E-M0-N12-J18
Task 2099 of 4096 (2,0,0,1,1,3) R0E-M0-N12-J18
Task 2100 of 4096 (2,0,0,1,1,4) R0E-M0-N12-J18
Task 2101 of 4096 (2,0,0,1,1,5) R0E-M0-N12-J18
Task 2102 of 4096 (2,0,0,1,1,6) R0E-M0-N12-J18
Task 2103 of 4096 (2,0,0,1,1,7) R0E-M0-N12-J18
Task 2104 of 4096 (2,0,0,1,1,8) R0E-M0-N12-J18
Task 2105 of 4096 (2,0,0,1,1,9) R0E-M0-N12-J18
Task 2106 of 4096 (2,0,0,1,1,10) R0E-M0-N12-J18
Task 2107 of 4096 (2,0,0,1,1,11) R0E-M0-N12-J18
Task 2108 of 4096 (2,0,0,1,1,12) R0E-M0-N12-J18
Task 2109 of 4096 (2,0,0,1,1,13) R0E-M0-N12-J18
Task 2110 of 4096 (2,0,0,1,1,14) R0E-M0-N12-J18
Task 2111 of 4096 (2,0,0,1,1,15) R0E-M0-N12-J18
Task 2112 of 4096 (2,0,0,2,0,0) R0E-M0-N14-J21
Task 2113 of 4096 (2,0,0,2,0,1) R0E-M0-N14-J21
Task 2114 of 4096 (2,0,0,2,0,2) R0E-M0-N14-J21
Task 2115 of 4096 (2,0,0,2,0,3) R0E-M0-N14-J21
Task 2116 of 4096 (2,0,0,2,0,4) R0E-M0-N14-J21
Task 2117 of 4096 (2,0,0,2,0,5) R0E-M0-N14-J21
Task 2118 of 4096 (2,0,0,2,0,6) R0E-M0-N14-J21
Task 2119 of 4096 (2,0,0,2,0,7) R0E-M0-N14-J21
Task 2120 of 4096 (2,0,0,2,0,8) R0E-M0-N14-J21
Task 2121 of 4096 (2,0,0,2,0,9) R0E-M0-N14-J21
Task 2122 of 4096 (2,0,0,2,0,10) R0E-M0-N14-J21
Task 2123 of 4096 (2,0,0,2,0,11) R0E-M0-N14-J21
Task 2124 of 4096 (2,0,0,2,0,12) R0E-M0-N14-J21
Task 2125 of 4096 (2,0,0,2,0,13) R0E-M0-N14-J21
Task 2126 of 4096 (2,0,0,2,0,14) R0E-M0-N14-J21
Task 2127 of 4096 (2,0,0,2,0,15) R0E-M0-N14-J21
Task 2128 of 4096 (2,0,0,2,1,0) R0E-M0-N14-J18
Task 2129 of 4096 (2,0,0,2,1,1) R0E-M0-N14-J18
Task 2130 of 4096 (2,0,0,2,1,2) R0E-M0-N14-J18
Task 2131 of 4096 (2,0,0,2,1,3) R0E-M0-N14-J18
Task 2132 of 4096 (2,0,0,2,1,4) R0E-M0-N14-J18
Task 2133 of 4096 (2,0,0,2,1,5) R0E-M0-N14-J18
Task 2134 of 4096 (2,0,0,2,1,6) R0E-M0-N14-J18
Task 2135 of 4096 (2,0,0,2,1,7) R0E-M0-N14-J18
Task 2136 of 4096 (2,0,0,2,1,8) R0E-M0-N14-J18
Task 2137 of 4096 (2,0,0,2,1,9) R0E-M0-N14-J18
Task 2138 of 4096 (2,0,0,2,1,10) R0E-M0-N14-J18
Task 2139 of 4096 (2,0,0,2,1,11) R0E-M0-N14-J18
Task 2140 of 4096 (2,0,0,2,1,12) R0E-M0-N14-J18
Task 2141 of 4096 (2,0,0,2,1,13) R0E-M0-N14-J18
Task 2142 of 4096 (2,0,0,2,1,14) R0E-M0-N14-J18
Task 2143 of 4096 (2,0,0,2,1,15) R0E-M0-N14-J18
Task 2144 of 4096 (2,0,0,3,0,0) R0E-M0-N14-J25
Task 2145 of 4096 (2,0,0,3,0,1) R0E-M0-N14-J25
Task 2146 of 4096 (2,0,0,3,0,2) R0E-M0-N14-J25
Task 2147 of 4096 (2,0,0,3,0,3) R0E-M0-N14-J25
Task 2148 of 4096 (2,0,0,3,0,4) R0E-M0-N14-J25
Task 2149 of 4096 (2,0,0,3,0,5) R0E-M0-N14-J25
Task 2150 of 4096 (2,0,0,3,0,6) R0E-M0-N14-J25
Task 2151 of 4096 (2,0,0,3,0,7) R0E-M0-N14-J25
Task 2152 of 4096 (2,0,0,3,0,8) R0E-M0-N14-J25
Task 2153 of 4096 (2,0,0,3,0,9) R0E-M0-N14-J25
Task 2154 of 4096 (2,0,0,3,0,10) R0E-M0-N14-J25
Task 2155 of 4096 (2,0,0,3,0,11) R0E-M0-N14-J25
Task 2156 of 4096 (2,0,0,3,0,12) R0E-M0-N14-J25
Task 2157 of 4096 (2,0,0,3,0,13) R0E-M0-N14-J25
Task 2158 of 4096 (2,0,0,3,0,14) R0E-M0-N14-J25
Task 2159 of 4096 (2,0,0,3,0,15) R0E-M0-N14-J25
Task 2160 of 4096 (2,0,0,3,1,0) R0E-M0-N14-J30
Task 2161 of 4096 (2,0,0,3,1,1) R0E-M0-N14-J30
Task 2162 of 4096 (2,0,0,3,1,2) R0E-M0-N14-J30
Task 2163 of 4096 (2,0,0,3,1,3) R0E-M0-N14-J30
Task 2164 of 4096 (2,0,0,3,1,4) R0E-M0-N14-J30
Task 2165 of 4096 (2,0,0,3,1,5) R0E-M0-N14-J30
Task 2166 of 4096 (2,0,0,3,1,6) R0E-M0-N14-J30
Task 2167 of 4096 (2,0,0,3,1,7) R0E-M0-N14-J30
Task 2168 of 4096 (2,0,0,3,1,8) R0E-M0-N14-J30
Task 2169 of 4096 (2,0,0,3,1,9) R0E-M0-N14-J30
Task 2170 of 4096 (2,0,0,3,1,10) R0E-M0-N14-J30
Task 2171 of 4096 (2,0,0,3,1,11) R0E-M0-N14-J30
Task 2172 of 4096 (2,0,0,3,1,12) R0E-M0-N14-J30
Task 2173 of 4096 (2,0,0,3,1,13) R0E-M0-N14-J30
Task 2174 of 4096 (2,0,0,3,1,14) R0E-M0-N14-J30
Task 2175 of 4096 (2,0,0,3,1,15) R0E-M0-N14-J30
Task 2176 of 4096 (2,0,1,0,0,0) R0E-M0-N12-J24
Task 2177 of 4096 (2,0,1,0,0,1) R0E-M0-N12-J24
Task 2178 of 4096 (2,0,1,0,0,2) R0E-M0-N12-J24
Task 2179 of 4096 (2,0,1,0,0,3) R0E-M0-N12-J24
Task 2180 of 4096 (2,0,1,0,0,4) R0E-M0-N12-J24
Task 2181 of 4096 (2,0,1,0,0,5) R0E-M0-N12-J24
Task 2182 of 4096 (2,0,1,0,0,6) R0E-M0-N12-J24
Task 2183 of 4096 (2,0,1,0,0,7) R0E-M0-N12-J24
Task 2184 of 4096 (2,0,1,0,0,8) R0E-M0-N12-J24
Task 2185 of 4096 (2,0,1,0,0,9) R0E-M0-N12-J24
Task 2186 of 4096 (2,0,1,0,0,10) R0E-M0-N12-J24
Task 2187 of 4096 (2,0,1,0,0,11) R0E-M0-N12-J24
Task 2188 of 4096 (2,0,1,0,0,12) R0E-M0-N12-J24
Task 2189 of 4096 (2,0,1,0,0,13) R0E-M0-N12-J24
Task 2190 of 4096 (2,0,1,0,0,14) R0E-M0-N12-J24
Task 2191 of 4096 (2,0,1,0,0,15) R0E-M0-N12-J24
Task 2192 of 4096 (2,0,1,0,1,0) R0E-M0-N12-J31
Task 2193 of 4096 (2,0,1,0,1,1) R0E-M0-N12-J31
Task 2194 of 4096 (2,0,1,0,1,2) R0E-M0-N12-J31
Task 2195 of 4096 (2,0,1,0,1,3) R0E-M0-N12-J31
Task 2196 of 4096 (2,0,1,0,1,4) R0E-M0-N12-J31
Task 2197 of 4096 (2,0,1,0,1,5) R0E-M0-N12-J31
Task 2198 of 4096 (2,0,1,0,1,6) R0E-M0-N12-J31
Task 2199 of 4096 (2,0,1,0,1,7) R0E-M0-N12-J31
Task 2200 of 4096 (2,0,1,0,1,8) R0E-M0-N12-J31
Task 2201 of 4096 (2,0,1,0,1,9) R0E-M0-N12-J31
Task 2202 of 4096 (2,0,1,0,1,10) R0E-M0-N12-J31
Task 2203 of 4096 (2,0,1,0,1,11) R0E-M0-N12-J31
Task 2204 of 4096 (2,0,1,0,1,12) R0E-M0-N12-J31
Task 2205 of 4096 (2,0,1,0,1,13) R0E-M0-N12-J31
Task 2206 of 4096 (2,0,1,0,1,14) R0E-M0-N12-J31
Task 2207 of 4096 (2,0,1,0,1,15) R0E-M0-N12-J31
Task 2208 of 4096 (2,0,1,1,0,0) R0E-M0-N12-J20
Task 2209 of 4096 (2,0,1,1,0,1) R0E-M0-N12-J20
Task 2210 of 4096 (2,0,1,1,0,2) R0E-M0-N12-J20
Task 2211 of 4096 (2,0,1,1,0,3) R0E-M0-N12-J20
Task 2212 of 4096 (2,0,1,1,0,4) R0E-M0-N12-J20
Task 2213 of 4096 (2,0,1,1,0,5) R0E-M0-N12-J20
Task 2214 of 4096 (2,0,1,1,0,6) R0E-M0-N12-J20
Task 2215 of 4096 (2,0,1,1,0,7) R0E-M0-N12-J20
Task 2216 of 4096 (2,0,1,1,0,8) R0E-M0-N12-J20
Task 2217 of 4096 (2,0,1,1,0,9) R0E-M0-N12-J20
Task 2218 of 4096 (2,0,1,1,0,10) R0E-M0-N12-J20
Task 2219 of 4096 (2,0,1,1,0,11) R0E-M0-N12-J20
Task 2220 of 4096 (2,0,1,1,0,12) R0E-M0-N12-J20
Task 2221 of 4096 (2,0,1,1,0,13) R0E-M0-N12-J20
Task 2222 of 4096 (2,0,1,1,0,14) R0E-M0-N12-J20
Task 2223 of 4096 (2,0,1,1,0,15) R0E-M0-N12-J20
Task 2224 of 4096 (2,0,1,1,1,0) R0E-M0-N12-J19
Task 2225 of 4096 (2,0,1,1,1,1) R0E-M0-N12-J19
Task 2226 of 4096 (2,0,1,1,1,2) R0E-M0-N12-J19
Task 2227 of 4096 (2,0,1,1,1,3) R0E-M0-N12-J19
Task 2228 of 4096 (2,0,1,1,1,4) R0E-M0-N12-J19
Task 2229 of 4096 (2,0,1,1,1,5) R0E-M0-N12-J19
Task 2230 of 4096 (2,0,1,1,1,6) R0E-M0-N12-J19
Task 2231 of 4096 (2,0,1,1,1,7) R0E-M0-N12-J19
Task 2232 of 4096 (2,0,1,1,1,8) R0E-M0-N12-J19
Task 2233 of 4096 (2,0,1,1,1,9) R0E-M0-N12-J19
Task 2234 of 4096 (2,0,1,1,1,10) R0E-M0-N12-J19
Task 2235 of 4096 (2,0,1,1,1,11) R0E-M0-N12-J19
Task 2236 of 4096 (2,0,1,1,1,12) R0E-M0-N12-J19
Task 2237 of 4096 (2,0,1,1,1,13) R0E-M0-N12-J19
Task 2238 of 4096 (2,0,1,1,1,14) R0E-M0-N12-J19
Task 2239 of 4096 (2,0,1,1,1,15) R0E-M0-N12-J19
Task 2240 of 4096 (2,0,1,2,0,0) R0E-M0-N14-J20
Task 2241 of 4096 (2,0,1,2,0,1) R0E-M0-N14-J20
Task 2242 of 4096 (2,0,1,2,0,2) R0E-M0-N14-J20
Task 2243 of 4096 (2,0,1,2,0,3) R0E-M0-N14-J20
Task 2244 of 4096 (2,0,1,2,0,4) R0E-M0-N14-J20
Task 2245 of 4096 (2,0,1,2,0,5) R0E-M0-N14-J20
Task 2246 of 4096 (2,0,1,2,0,6) R0E-M0-N14-J20
Task 2247 of 4096 (2,0,1,2,0,7) R0E-M0-N14-J20
Task 2248 of 4096 (2,0,1,2,0,8) R0E-M0-N14-J20
Task 2249 of 4096 (2,0,1,2,0,9) R0E-M0-N14-J20
Task 2250 of 4096 (2,0,1,2,0,10) R0E-M0-N14-J20
Task 2251 of 4096 (2,0,1,2,0,11) R0E-M0-N14-J20
Task 2252 of 4096 (2,0,1,2,0,12) R0E-M0-N14-J20
Task 2253 of 4096 (2,0,1,2,0,13) R0E-M0-N14-J20
Task 2254 of 4096 (2,0,1,2,0,14) R0E-M0-N14-J20
Task 2255 of 4096 (2,0,1,2,0,15) R0E-M0-N14-J20
Task 2256 of 4096 (2,0,1,2,1,0) R0E-M0-N14-J19
Task 2257 of 4096 (2,0,1,2,1,1) R0E-M0-N14-J19
Task 2258 of 4096 (2,0,1,2,1,2) R0E-M0-N14-J19
Task 2259 of 4096 (2,0,1,2,1,3) R0E-M0-N14-J19
Task 2260 of 4096 (2,0,1,2,1,4) R0E-M0-N14-J19
Task 2261 of 4096 (2,0,1,2,1,5) R0E-M0-N14-J19
Task 2262 of 4096 (2,0,1,2,1,6) R0E-M0-N14-J19
Task 2263 of 4096 (2,0,1,2,1,7) R0E-M0-N14-J19
Task 2264 of 4096 (2,0,1,2,1,8) R0E-M0-N14-J19
Task 2265 of 4096 (2,0,1,2,1,9) R0E-M0-N14-J19
Task 2266 of 4096 (2,0,1,2,1,10) R0E-M0-N14-J19
Task 2267 of 4096 (2,0,1,2,1,11) R0E-M0-N14-J19
Task 2268 of 4096 (2,0,1,2,1,12) R0E-M0-N14-J19
Task 2269 of 4096 (2,0,1,2,1,13) R0E-M0-N14-J19
Task 2270 of 4096 (2,0,1,2,1,14) R0E-M0-N14-J19
Task 2271 of 4096 (2,0,1,2,1,15) R0E-M0-N14-J19
Task 2272 of 4096 (2,0,1,3,0,0) R0E-M0-N14-J24
Task 2273 of 4096 (2,0,1,3,0,1) R0E-M0-N14-J24
Task 2274 of 4096 (2,0,1,3,0,2) R0E-M0-N14-J24
Task 2275 of 4096 (2,0,1,3,0,3) R0E-M0-N14-J24
Task 2276 of 4096 (2,0,1,3,0,4) R0E-M0-N14-J24
Task 2277 of 4096 (2,0,1,3,0,5) R0E-M0-N14-J24
Task 2278 of 4096 (2,0,1,3,0,6) R0E-M0-N14-J24
Task 2279 of 4096 (2,0,1,3,0,7) R0E-M0-N14-J24
Task 2280 of 4096 (2,0,1,3,0,8) R0E-M0-N14-J24
Task 2281 of 4096 (2,0,1,3,0,9) R0E-M0-N14-J24
Task 2282 of 4096 (2,0,1,3,0,10) R0E-M0-N14-J24
Task 2283 of 4096 (2,0,1,3,0,11) R0E-M0-N14-J24
Task 2284 of 4096 (2,0,1,3,0,12) R0E-M0-N14-J24
Task 2285 of 4096 (2,0,1,3,0,13) R0E-M0-N14-J24
Task 2286 of 4096 (2,0,1,3,0,14) R0E-M0-N14-J24
Task 2287 of 4096 (2,0,1,3,0,15) R0E-M0-N14-J24
Task 2288 of 4096 (2,0,1,3,1,0) R0E-M0-N14-J31
Task 2289 of 4096 (2,0,1,3,1,1) R0E-M0-N14-J31
Task 2290 of 4096 (2,0,1,3,1,2) R0E-M0-N14-J31
Task 2291 of 4096 (2,0,1,3,1,3) R0E-M0-N14-J31
Task 2292 of 4096 (2,0,1,3,1,4) R0E-M0-N14-J31
Task 2293 of 4096 (2,0,1,3,1,5) R0E-M0-N14-J31
Task 2294 of 4096 (2,0,1,3,1,6) R0E-M0-N14-J31
Task 2295 of 4096 (2,0,1,3,1,7) R0E-M0-N14-J31
Task 2296 of 4096 (2,0,1,3,1,8) R0E-M0-N14-J31
Task 2297 of 4096 (2,0,1,3,1,9) R0E-M0-N14-J31
Task 2298 of 4096 (2,0,1,3,1,10) R0E-M0-N14-J31
Task 2299 of 4096 (2,0,1,3,1,11) R0E-M0-N14-J31
Task 2300 of 4096 (2,0,1,3,1,12) R0E-M0-N14-J31
Task 2301 of 4096 (2,0,1,3,1,13) R0E-M0-N14-J31
Task 2302 of 4096 (2,0,1,3,1,14) R0E-M0-N14-J31
Task 2303 of 4096 (2,0,1,3,1,15) R0E-M0-N14-J31
Task 2304 of 4096 (2,0,2,0,0,0) R0E-M0-N13-J24
Task 2305 of 4096 (2,0,2,0,0,1) R0E-M0-N13-J24
Task 2306 of 4096 (2,0,2,0,0,2) R0E-M0-N13-J24
Task 2307 of 4096 (2,0,2,0,0,3) R0E-M0-N13-J24
Task 2308 of 4096 (2,0,2,0,0,4) R0E-M0-N13-J24
Task 2309 of 4096 (2,0,2,0,0,5) R0E-M0-N13-J24
Task 2310 of 4096 (2,0,2,0,0,6) R0E-M0-N13-J24
Task 2311 of 4096 (2,0,2,0,0,7) R0E-M0-N13-J24
Task 2312 of 4096 (2,0,2,0,0,8) R0E-M0-N13-J24
Task 2313 of 4096 (2,0,2,0,0,9) R0E-M0-N13-J24
Task 2314 of 4096 (2,0,2,0,0,10) R0E-M0-N13-J24
Task 2315 of 4096 (2,0,2,0,0,11) R0E-M0-N13-J24
Task 2316 of 4096 (2,0,2,0,0,12) R0E-M0-N13-J24
Task 2317 of 4096 (2,0,2,0,0,13) R0E-M0-N13-J24
Task 2318 of 4096 (2,0,2,0,0,14) R0E-M0-N13-J24
Task 2319 of 4096 (2,0,2,0,0,15) R0E-M0-N13-J24
Task 2320 of 4096 (2,0,2,0,1,0) R0E-M0-N13-J31
Task 2321 of 4096 (2,0,2,0,1,1) R0E-M0-N13-J31
Task 2322 of 4096 (2,0,2,0,1,2) R0E-M0-N13-J31
Task 2323 of 4096 (2,0,2,0,1,3) R0E-M0-N13-J31
Task 2324 of 4096 (2,0,2,0,1,4) R0E-M0-N13-J31
Task 2325 of 4096 (2,0,2,0,1,5) R0E-M0-N13-J31
Task 2326 of 4096 (2,0,2,0,1,6) R0E-M0-N13-J31
Task 2327 of 4096 (2,0,2,0,1,7) R0E-M0-N13-J31
Task 2328 of 4096 (2,0,2,0,1,8) R0E-M0-N13-J31
Task 2329 of 4096 (2,0,2,0,1,9) R0E-M0-N13-J31
Task 2330 of 4096 (2,0,2,0,1,10) R0E-M0-N13-J31
Task 2331 of 4096 (2,0,2,0,1,11) R0E-M0-N13-J31
Task 2332 of 4096 (2,0,2,0,1,12) R0E-M0-N13-J31
Task 2333 of 4096 (2,0,2,0,1,13) R0E-M0-N13-J31
Task 2334 of 4096 (2,0,2,0,1,14) R0E-M0-N13-J31
Task 2335 of 4096 (2,0,2,0,1,15) R0E-M0-N13-J31
Task 2336 of 4096 (2,0,2,1,0,0) R0E-M0-N13-J20
Task 2337 of 4096 (2,0,2,1,0,1) R0E-M0-N13-J20
Task 2338 of 4096 (2,0,2,1,0,2) R0E-M0-N13-J20
Task 2339 of 4096 (2,0,2,1,0,3) R0E-M0-N13-J20
Task 2340 of 4096 (2,0,2,1,0,4) R0E-M0-N13-J20
Task 2341 of 4096 (2,0,2,1,0,5) R0E-M0-N13-J20
Task 2342 of 4096 (2,0,2,1,0,6) R0E-M0-N13-J20
Task 2343 of 4096 (2,0,2,1,0,7) R0E-M0-N13-J20
Task 2344 of 4096 (2,0,2,1,0,8) R0E-M0-N13-J20
Task 2345 of 4096 (2,0,2,1,0,9) R0E-M0-N13-J20
Task 2346 of 4096 (2,0,2,1,0,10) R0E-M0-N13-J20
Task 2347 of 4096 (2,0,2,1,0,11) R0E-M0-N13-J20
Task 2348 of 4096 (2,0,2,1,0,12) R0E-M0-N13-J20
Task 2349 of 4096 (2,0,2,1,0,13) R0E-M0-N13-J20
Task 2350 of 4096 (2,0,2,1,0,14) R0E-M0-N13-J20
Task 2351 of 4096 (2,0,2,1,0,15) R0E-M0-N13-J20
Task 2352 of 4096 (2,0,2,1,1,0) R0E-M0-N13-J19
Task 2353 of 4096 (2,0,2,1,1,1) R0E-M0-N13-J19
Task 2354 of 4096 (2,0,2,1,1,2) R0E-M0-N13-J19
Task 2355 of 4096 (2,0,2,1,1,3) R0E-M0-N13-J19
Task 2356 of 4096 (2,0,2,1,1,4) R0E-M0-N13-J19
Task 2357 of 4096 (2,0,2,1,1,5) R0E-M0-N13-J19
Task 2358 of 4096 (2,0,2,1,1,6) R0E-M0-N13-J19
Task 2359 of 4096 (2,0,2,1,1,7) R0E-M0-N13-J19
Task 2360 of 4096 (2,0,2,1,1,8) R0E-M0-N13-J19
Task 2361 of 4096 (2,0,2,1,1,9) R0E-M0-N13-J19
Task 2362 of 4096 (2,0,2,1,1,10) R0E-M0-N13-J19
Task 2363 of 4096 (2,0,2,1,1,11) R0E-M0-N13-J19
Task 2364 of 4096 (2,0,2,1,1,12) R0E-M0-N13-J19
Task 2365 of 4096 (2,0,2,1,1,13) R0E-M0-N13-J19
Task 2366 of 4096 (2,0,2,1,1,14) R0E-M0-N13-J19
Task 2367 of 4096 (2,0,2,1,1,15) R0E-M0-N13-J19
Task 2368 of 4096 (2,0,2,2,0,0) R0E-M0-N15-J20
Task 2369 of 4096 (2,0,2,2,0,1) R0E-M0-N15-J20
Task 2370 of 4096 (2,0,2,2,0,2) R0E-M0-N15-J20
Task 2371 of 4096 (2,0,2,2,0,3) R0E-M0-N15-J20
Task 2372 of 4096 (2,0,2,2,0,4) R0E-M0-N15-J20
Task 2373 of 4096 (2,0,2,2,0,5) R0E-M0-N15-J20
Task 2374 of 4096 (2,0,2,2,0,6) R0E-M0-N15-J20
Task 2375 of 4096 (2,0,2,2,0,7) R0E-M0-N15-J20
Task 2376 of 4096 (2,0,2,2,0,8) R0E-M0-N15-J20
Task 2377 of 4096 (2,0,2,2,0,9) R0E-M0-N15-J20
Task 2378 of 4096 (2,0,2,2,0,10) R0E-M0-N15-J20
Task 2379 of 4096 (2,0,2,2,0,11) R0E-M0-N15-J20
Task 2380 of 4096 (2,0,2,2,0,12) R0E-M0-N15-J20
Task 2381 of 4096 (2,0,2,2,0,13) R0E-M0-N15-J20
Task 2382 of 4096 (2,0,2,2,0,14) R0E-M0-N15-J20
Task 2383 of 4096 (2,0,2,2,0,15) R0E-M0-N15-J20
Task 2384 of 4096 (2,0,2,2,1,0) R0E-M0-N15-J19
Task 2385 of 4096 (2,0,2,2,1,1) R0E-M0-N15-J19
Task 2386 of 4096 (2,0,2,2,1,2) R0E-M0-N15-J19
Task 2387 of 4096 (2,0,2,2,1,3) R0E-M0-N15-J19
Task 2388 of 4096 (2,0,2,2,1,4) R0E-M0-N15-J19
Task 2389 of 4096 (2,0,2,2,1,5) R0E-M0-N15-J19
Task 2390 of 4096 (2,0,2,2,1,6) R0E-M0-N15-J19
Task 2391 of 4096 (2,0,2,2,1,7) R0E-M0-N15-J19
Task 2392 of 4096 (2,0,2,2,1,8) R0E-M0-N15-J19
Task 2393 of 4096 (2,0,2,2,1,9) R0E-M0-N15-J19
Task 2394 of 4096 (2,0,2,2,1,10) R0E-M0-N15-J19
Task 2395 of 4096 (2,0,2,2,1,11) R0E-M0-N15-J19
Task 2396 of 4096 (2,0,2,2,1,12) R0E-M0-N15-J19
Task 2397 of 4096 (2,0,2,2,1,13) R0E-M0-N15-J19
Task 2398 of 4096 (2,0,2,2,1,14) R0E-M0-N15-J19
Task 2399 of 4096 (2,0,2,2,1,15) R0E-M0-N15-J19
Task 2400 of 4096 (2,0,2,3,0,0) R0E-M0-N15-J24
Task 2401 of 4096 (2,0,2,3,0,1) R0E-M0-N15-J24
Task 2402 of 4096 (2,0,2,3,0,2) R0E-M0-N15-J24
Task 2403 of 4096 (2,0,2,3,0,3) R0E-M0-N15-J24
Task 2404 of 4096 (2,0,2,3,0,4) R0E-M0-N15-J24
Task 2405 of 4096 (2,0,2,3,0,5) R0E-M0-N15-J24
Task 2406 of 4096 (2,0,2,3,0,6) R0E-M0-N15-J24
Task 2407 of 4096 (2,0,2,3,0,7) R0E-M0-N15-J24
Task 2408 of 4096 (2,0,2,3,0,8) R0E-M0-N15-J24
Task 2409 of 4096 (2,0,2,3,0,9) R0E-M0-N15-J24
Task 2410 of 4096 (2,0,2,3,0,10) R0E-M0-N15-J24
Task 2411 of 4096 (2,0,2,3,0,11) R0E-M0-N15-J24
Task 2412 of 4096 (2,0,2,3,0,12) R0E-M0-N15-J24
Task 2413 of 4096 (2,0,2,3,0,13) R0E-M0-N15-J24
Task 2414 of 4096 (2,0,2,3,0,14) R0E-M0-N15-J24
Task 2415 of 4096 (2,0,2,3,0,15) R0E-M0-N15-J24
Task 2416 of 4096 (2,0,2,3,1,0) R0E-M0-N15-J31
Task 2417 of 4096 (2,0,2,3,1,1) R0E-M0-N15-J31
Task 2418 of 4096 (2,0,2,3,1,2) R0E-M0-N15-J31
Task 2419 of 4096 (2,0,2,3,1,3) R0E-M0-N15-J31
Task 2420 of 4096 (2,0,2,3,1,4) R0E-M0-N15-J31
Task 2421 of 4096 (2,0,2,3,1,5) R0E-M0-N15-J31
Task 2422 of 4096 (2,0,2,3,1,6) R0E-M0-N15-J31
Task 2423 of 4096 (2,0,2,3,1,7) R0E-M0-N15-J31
Task 2424 of 4096 (2,0,2,3,1,8) R0E-M0-N15-J31
Task 2425 of 4096 (2,0,2,3,1,9) R0E-M0-N15-J31
Task 2426 of 4096 (2,0,2,3,1,10) R0E-M0-N15-J31
Task 2427 of 4096 (2,0,2,3,1,11) R0E-M0-N15-J31
Task 2428 of 4096 (2,0,2,3,1,12) R0E-M0-N15-J31
Task 2429 of 4096 (2,0,2,3,1,13) R0E-M0-N15-J31
Task 2430 of 4096 (2,0,2,3,1,14) R0E-M0-N15-J31
Task 2431 of 4096 (2,0,2,3,1,15) R0E-M0-N15-J31
Task 2432 of 4096 (2,0,3,0,0,0) R0E-M0-N13-J25
Task 2433 of 4096 (2,0,3,0,0,1) R0E-M0-N13-J25
Task 2434 of 4096 (2,0,3,0,0,2) R0E-M0-N13-J25
Task 2435 of 4096 (2,0,3,0,0,3) R0E-M0-N13-J25
Task 2436 of 4096 (2,0,3,0,0,4) R0E-M0-N13-J25
Task 2437 of 4096 (2,0,3,0,0,5) R0E-M0-N13-J25
Task 2438 of 4096 (2,0,3,0,0,6) R0E-M0-N13-J25
Task 2439 of 4096 (2,0,3,0,0,7) R0E-M0-N13-J25
Task 2440 of 4096 (2,0,3,0,0,8) R0E-M0-N13-J25
Task 2441 of 4096 (2,0,3,0,0,9) R0E-M0-N13-J25
Task 2442 of 4096 (2,0,3,0,0,10) R0E-M0-N13-J25
Task 2443 of 4096 (2,0,3,0,0,11) R0E-M0-N13-J25
Task 2444 of 4096 (2,0,3,0,0,12) R0E-M0-N13-J25
Task 2445 of 4096 (2,0,3,0,0,13) R0E-M0-N13-J25
Task 2446 of 4096 (2,0,3,0,0,14) R0E-M0-N13-J25
Task 2447 of 4096 (2,0,3,0,0,15) R0E-M0-N13-J25
Task 2448 of 4096 (2,0,3,0,1,0) R0E-M0-N13-J30
Task 2449 of 4096 (2,0,3,0,1,1) R0E-M0-N13-J30
Task 2450 of 4096 (2,0,3,0,1,2) R0E-M0-N13-J30
Task 2451 of 4096 (2,0,3,0,1,3) R0E-M0-N13-J30
Task 2452 of 4096 (2,0,3,0,1,4) R0E-M0-N13-J30
Task 2453 of 4096 (2,0,3,0,1,5) R0E-M0-N13-J30
Task 2454 of 4096 (2,0,3,0,1,6) R0E-M0-N13-J30
Task 2455 of 4096 (2,0,3,0,1,7) R0E-M0-N13-J30
Task 2456 of 4096 (2,0,3,0,1,8) R0E-M0-N13-J30
Task 2457 of 4096 (2,0,3,0,1,9) R0E-M0-N13-J30
Task 2458 of 4096 (2,0,3,0,1,10) R0E-M0-N13-J30
Task 2459 of 4096 (2,0,3,0,1,11) R0E-M0-N13-J30
Task 2460 of 4096 (2,0,3,0,1,12) R0E-M0-N13-J30
Task 2461 of 4096 (2,0,3,0,1,13) R0E-M0-N13-J30
Task 2462 of 4096 (2,0,3,0,1,14) R0E-M0-N13-J30
Task 2463 of 4096 (2,0,3,0,1,15) R0E-M0-N13-J30
Task 2464 of 4096 (2,0,3,1,0,0) R0E-M0-N13-J21
Task 2465 of 4096 (2,0,3,1,0,1) R0E-M0-N13-J21
Task 2466 of 4096 (2,0,3,1,0,2) R0E-M0-N13-J21
Task 2467 of 4096 (2,0,3,1,0,3) R0E-M0-N13-J21
Task 2468 of 4096 (2,0,3,1,0,4) R0E-M0-N13-J21
Task 2469 of 4096 (2,0,3,1,0,5) R0E-M0-N13-J21
Task 2470 of 4096 (2,0,3,1,0,6) R0E-M0-N13-J21
Task 2471 of 4096 (2,0,3,1,0,7) R0E-M0-N13-J21
Task 2472 of 4096 (2,0,3,1,0,8) R0E-M0-N13-J21
Task 2473 of 4096 (2,0,3,1,0,9) R0E-M0-N13-J21
Task 2474 of 4096 (2,0,3,1,0,10) R0E-M0-N13-J21
Task 2475 of 4096 (2,0,3,1,0,11) R0E-M0-N13-J21
Task 2476 of 4096 (2,0,3,1,0,12) R0E-M0-N13-J21
Task 2477 of 4096 (2,0,3,1,0,13) R0E-M0-N13-J21
Task 2478 of 4096 (2,0,3,1,0,14) R0E-M0-N13-J21
Task 2479 of 4096 (2,0,3,1,0,15) R0E-M0-N13-J21
Task 2480 of 4096 (2,0,3,1,1,0) R0E-M0-N13-J18
Task 2481 of 4096 (2,0,3,1,1,1) R0E-M0-N13-J18
Task 2482 of 4096 (2,0,3,1,1,2) R0E-M0-N13-J18
Task 2483 of 4096 (2,0,3,1,1,3) R0E-M0-N13-J18
Task 2484 of 4096 (2,0,3,1,1,4) R0E-M0-N13-J18
Task 2485 of 4096 (2,0,3,1,1,5) R0E-M0-N13-J18
Task 2486 of 4096 (2,0,3,1,1,6) R0E-M0-N13-J18
Task 2487 of 4096 (2,0,3,1,1,7) R0E-M0-N13-J18
Task 2488 of 4096 (2,0,3,1,1,8) R0E-M0-N13-J18
Task 2489 of 4096 (2,0,3,1,1,9) R0E-M0-N13-J18
Task 2490 of 4096 (2,0,3,1,1,10) R0E-M0-N13-J18
Task 2491 of 4096 (2,0,3,1,1,11) R0E-M0-N13-J18
Task 2492 of 4096 (2,0,3,1,1,12) R0E-M0-N13-J18
Task 2493 of 4096 (2,0,3,1,1,13) R0E-M0-N13-J18
Task 2494 of 4096 (2,0,3,1,1,14) R0E-M0-N13-J18
Task 2495 of 4096 (2,0,3,1,1,15) R0E-M0-N13-J18
Task 2496 of 4096 (2,0,3,2,0,0) R0E-M0-N15-J21
Task 2497 of 4096 (2,0,3,2,0,1) R0E-M0-N15-J21
Task 2498 of 4096 (2,0,3,2,0,2) R0E-M0-N15-J21
Task 2499 of 4096 (2,0,3,2,0,3) R0E-M0-N15-J21
Task 2500 of 4096 (2,0,3,2,0,4) R0E-M0-N15-J21
Task 2501 of 4096 (2,0,3,2,0,5) R0E-M0-N15-J21
Task 2502 of 4096 (2,0,3,2,0,6) R0E-M0-N15-J21
Task 2503 of 4096 (2,0,3,2,0,7) R0E-M0-N15-J21
Task 2504 of 4096 (2,0,3,2,0,8) R0E-M0-N15-J21
Task 2505 of 4096 (2,0,3,2,0,9) R0E-M0-N15-J21
Task 2506 of 4096 (2,0,3,2,0,10) R0E-M0-N15-J21
Task 2507 of 4096 (2,0,3,2,0,11) R0E-M0-N15-J21
Task 2508 of 4096 (2,0,3,2,0,12) R0E-M0-N15-J21
Task 2509 of 4096 (2,0,3,2,0,13) R0E-M0-N15-J21
Task 2510 of 4096 (2,0,3,2,0,14) R0E-M0-N15-J21
Task 2511 of 4096 (2,0,3,2,0,15) R0E-M0-N15-J21
Task 2512 of 4096 (2,0,3,2,1,0) R0E-M0-N15-J18
Task 2513 of 4096 (2,0,3,2,1,1) R0E-M0-N15-J18
Task 2514 of 4096 (2,0,3,2,1,2) R0E-M0-N15-J18
Task 2515 of 4096 (2,0,3,2,1,3) R0E-M0-N15-J18
Task 2516 of 4096 (2,0,3,2,1,4) R0E-M0-N15-J18
Task 2517 of 4096 (2,0,3,2,1,5) R0E-M0-N15-J18
Task 2518 of 4096 (2,0,3,2,1,6) R0E-M0-N15-J18
Task 2519 of 4096 (2,0,3,2,1,7) R0E-M0-N15-J18
Task 2520 of 4096 (2,0,3,2,1,8) R0E-M0-N15-J18
Task 2521 of 4096 (2,0,3,2,1,9) R0E-M0-N15-J18
Task 2522 of 4096 (2,0,3,2,1,10) R0E-M0-N15-J18
Task 2523 of 4096 (2,0,3,2,1,11) R0E-M0-N15-J18
Task 2524 of 4096 (2,0,3,2,1,12) R0E-M0-N15-J18
Task 2525 of 4096 (2,0,3,2,1,13) R0E-M0-N15-J18
Task 2526 of 4096 (2,0,3,2,1,14) R0E-M0-N15-J18
Task 2527 of 4096 (2,0,3,2,1,15) R0E-M0-N15-J18
Task 2528 of 4096 (2,0,3,3,0,0) R0E-M0-N15-J25
Task 2529 of 4096 (2,0,3,3,0,1) R0E-M0-N15-J25
Task 2530 of 4096 (2,0,3,3,0,2) R0E-M0-N15-J25
Task 2531 of 4096 (2,0,3,3,0,3) R0E-M0-N15-J25
Task 2532 of 4096 (2,0,3,3,0,4) R0E-M0-N15-J25
Task 2533 of 4096 (2,0,3,3,0,5) R0E-M0-N15-J25
Task 2534 of 4096 (2,0,3,3,0,6) R0E-M0-N15-J25
Task 2535 of 4096 (2,0,3,3,0,7) R0E-M0-N15-J25
Task 2536 of 4096 (2,0,3,3,0,8) R0E-M0-N15-J25
Task 2537 of 4096 (2,0,3,3,0,9) R0E-M0-N15-J25
Task 2538 of 4096 (2,0,3,3,0,10) R0E-M0-N15-J25
Task 2539 of 4096 (2,0,3,3,0,11) R0E-M0-N15-J25
Task 2540 of 4096 (2,0,3,3,0,12) R0E-M0-N15-J25
Task 2541 of 4096 (2,0,3,3,0,13) R0E-M0-N15-J25
Task 2542 of 4096 (2,0,3,3,0,14) R0E-M0-N15-J25
Task 2543 of 4096 (2,0,3,3,0,15) R0E-M0-N15-J25
Task 2544 of 4096 (2,0,3,3,1,0) R0E-M0-N15-J30
Task 2545 of 4096 (2,0,3,3,1,1) R0E-M0-N15-J30
Task 2546 of 4096 (2,0,3,3,1,2) R0E-M0-N15-J30
Task 2547 of 4096 (2,0,3,3,1,3) R0E-M0-N15-J30
Task 2548 of 4096 (2,0,3,3,1,4) R0E-M0-N15-J30
Task 2549 of 4096 (2,0,3,3,1,5) R0E-M0-N15-J30
Task 2550 of 4096 (2,0,3,3,1,6) R0E-M0-N15-J30
Task 2551 of 4096 (2,0,3,3,1,7) R0E-M0-N15-J30
Task 2552 of 4096 (2,0,3,3,1,8) R0E-M0-N15-J30
Task 2553 of 4096 (2,0,3,3,1,9) R0E-M0-N15-J30
Task 2554 of 4096 (2,0,3,3,1,10) R0E-M0-N15-J30
Task 2555 of 4096 (2,0,3,3,1,11) R0E-M0-N15-J30
Task 2556 of 4096 (2,0,3,3,1,12) R0E-M0-N15-J30
Task 2557 of 4096 (2,0,3,3,1,13) R0E-M0-N15-J30
Task 2558 of 4096 (2,0,3,3,1,14) R0E-M0-N15-J30
Task 2559 of 4096 (2,0,3,3,1,15) R0E-M0-N15-J30
Task 2560 of 4096 (2,1,0,0,0,0) R0E-M0-N12-J26
Task 2561 of 4096 (2,1,0,0,0,1) R0E-M0-N12-J26
Task 2562 of 4096 (2,1,0,0,0,2) R0E-M0-N12-J26
Task 2563 of 4096 (2,1,0,0,0,3) R0E-M0-N12-J26
Task 2564 of 4096 (2,1,0,0,0,4) R0E-M0-N12-J26
Task 2565 of 4096 (2,1,0,0,0,5) R0E-M0-N12-J26
Task 2566 of 4096 (2,1,0,0,0,6) R0E-M0-N12-J26
Task 2567 of 4096 (2,1,0,0,0,7) R0E-M0-N12-J26
Task 2568 of 4096 (2,1,0,0,0,8) R0E-M0-N12-J26
Task 2569 of 4096 (2,1,0,0,0,9) R0E-M0-N12-J26
Task 2570 of 4096 (2,1,0,0,0,10) R0E-M0-N12-J26
Task 2571 of 4096 (2,1,0,0,0,11) R0E-M0-N12-J26
Task 2572 of 4096 (2,1,0,0,0,12) R0E-M0-N12-J26
Task 2573 of 4096 (2,1,0,0,0,13) R0E-M0-N12-J26
Task 2574 of 4096 (2,1,0,0,0,14) R0E-M0-N12-J26
Task 2575 of 4096 (2,1,0,0,0,15) R0E-M0-N12-J26
Task 2576 of 4096 (2,1,0,0,1,0) R0E-M0-N12-J29
Task 2577 of 4096 (2,1,0,0,1,1) R0E-M0-N12-J29
Task 2578 of 4096 (2,1,0,0,1,2) R0E-M0-N12-J29
Task 2579 of 4096 (2,1,0,0,1,3) R0E-M0-N12-J29
Task 2580 of 4096 (2,1,0,0,1,4) R0E-M0-N12-J29
Task 2581 of 4096 (2,1,0,0,1,5) R0E-M0-N12-J29
Task 2582 of 4096 (2,1,0,0,1,6) R0E-M0-N12-J29
Task 2583 of 4096 (2,1,0,0,1,7) R0E-M0-N12-J29
Task 2584 of 4096 (2,1,0,0,1,8) R0E-M0-N12-J29
Task 2585 of 4096 (2,1,0,0,1,9) R0E-M0-N12-J29
Task 2586 of 4096 (2,1,0,0,1,10) R0E-M0-N12-J29
Task 2587 of 4096 (2,1,0,0,1,11) R0E-M0-N12-J29
Task 2588 of 4096 (2,1,0,0,1,12) R0E-M0-N12-J29
Task 2589 of 4096 (2,1,0,0,1,13) R0E-M0-N12-J29
Task 2590 of 4096 (2,1,0,0,1,14) R0E-M0-N12-J29
Task 2591 of 4096 (2,1,0,0,1,15) R0E-M0-N12-J29
Task 2592 of 4096 (2,1,0,1,0,0) R0E-M0-N12-J22
Task 2593 of 4096 (2,1,0,1,0,1) R0E-M0-N12-J22
Task 2594 of 4096 (2,1,0,1,0,2) R0E-M0-N12-J22
Task 2595 of 4096 (2,1,0,1,0,3) R0E-M0-N12-J22
Task 2596 of 4096 (2,1,0,1,0,4) R0E-M0-N12-J22
Task 2597 of 4096 (2,1,0,1,0,5) R0E-M0-N12-J22
Task 2598 of 4096 (2,1,0,1,0,6) R0E-M0-N12-J22
Task 2599 of 4096 (2,1,0,1,0,7) R0E-M0-N12-J22
Task 2600 of 4096 (2,1,0,1,0,8) R0E-M0-N12-J22
Task 2601 of 4096 (2,1,0,1,0,9) R0E-M0-N12-J22
Task 2602 of 4096 (2,1,0,1,0,10) R0E-M0-N12-J22
Task 2603 of 4096 (2,1,0,1,0,11) R0E-M0-N12-J22
Task 2604 of 4096 (2,1,0,1,0,12) R0E-M0-N12-J22
Task 2605 of 4096 (2,1,0,1,0,13) R0E-M0-N12-J22
Task 2606 of 4096 (2,1,0,1,0,14) R0E-M0-N12-J22
Task 2607 of 4096 (2,1,0,1,0,15) R0E-M0-N12-J22
Task 2608 of 4096 (2,1,0,1,1,0) R0E-M0-N12-J17
Task 2609 of 4096 (2,1,0,1,1,1) R0E-M0-N12-J17
Task 2610 of 4096 (2,1,0,1,1,2) R0E-M0-N12-J17
Task 2611 of 4096 (2,1,0,1,1,3) R0E-M0-N12-J17
Task 2612 of 4096 (2,1,0,1,1,4) R0E-M0-N12-J17
Task 2613 of 4096 (2,1,0,1,1,5) R0E-M0-N12-J17
Task 2614 of 4096 (2,1,0,1,1,6) R0E-M0-N12-J17
Task 2615 of 4096 (2,1,0,1,1,7) R0E-M0-N12-J17
Task 2616 of 4096 (2,1,0,1,1,8) R0E-M0-N12-J17
Task 2617 of 4096 (2,1,0,1,1,9) R0E-M0-N12-J17
Task 2618 of 4096 (2,1,0,1,1,10) R0E-M0-N12-J17
Task 2619 of 4096 (2,1,0,1,1,11) R0E-M0-N12-J17
Task 2620 of 4096 (2,1,0,1,1,12) R0E-M0-N12-J17
Task 2621 of 4096 (2,1,0,1,1,13) R0E-M0-N12-J17
Task 2622 of 4096 (2,1,0,1,1,14) R0E-M0-N12-J17
Task 2623 of 4096 (2,1,0,1,1,15) R0E-M0-N12-J17
Task 2624 of 4096 (2,1,0,2,0,0) R0E-M0-N14-J22
Task 2625 of 4096 (2,1,0,2,0,1) R0E-M0-N14-J22
Task 2626 of 4096 (2,1,0,2,0,2) R0E-M0-N14-J22
Task 2627 of 4096 (2,1,0,2,0,3) R0E-M0-N14-J22
Task 2628 of 4096 (2,1,0,2,0,4) R0E-M0-N14-J22
Task 2629 of 4096 (2,1,0,2,0,5) R0E-M0-N14-J22
Task 2630 of 4096 (2,1,0,2,0,6) R0E-M0-N14-J22
Task 2631 of 4096 (2,1,0,2,0,7) R0E-M0-N14-J22
Task 2632 of 4096 (2,1,0,2,0,8) R0E-M0-N14-J22
Task 2633 of 4096 (2,1,0,2,0,9) R0E-M0-N14-J22
Task 2634 of 4096 (2,1,0,2,0,10) R0E-M0-N14-J22
Task 2635 of 4096 (2,1,0,2,0,11) R0E-M0-N14-J22
Task 2636 of 4096 (2,1,0,2,0,12) R0E-M0-N14-J22
Task 2637 of 4096 (2,1,0,2,0,13) R0E-M0-N14-J22
Task 2638 of 4096 (2,1,0,2,0,14) R0E-M0-N14-J22
Task 2639 of 4096 (2,1,0,2,0,15) R0E-M0-N14-J22
Task 2640 of 4096 (2,1,0,2,1,0) R0E-M0-N14-J17
Task 2641 of 4096 (2,1,0,2,1,1) R0E-M0-N14-J17
Task 2642 of 4096 (2,1,0,2,1,2) R0E-M0-N14-J17
Task 2643 of 4096 (2,1,0,2,1,3) R0E-M0-N14-J17
Task 2644 of 4096 (2,1,0,2,1,4) R0E-M0-N14-J17
Task 2645 of 4096 (2,1,0,2,1,5) R0E-M0-N14-J17
Task 2646 of 4096 (2,1,0,2,1,6) R0E-M0-N14-J17
Task 2647 of 4096 (2,1,0,2,1,7) R0E-M0-N14-J17
Task 2648 of 4096 (2,1,0,2,1,8) R0E-M0-N14-J17
Task 2649 of 4096 (2,1,0,2,1,9) R0E-M0-N14-J17
Task 2650 of 4096 (2,1,0,2,1,10) R0E-M0-N14-J17
Task 2651 of 4096 (2,1,0,2,1,11) R0E-M0-N14-J17
Task 2652 of 4096 (2,1,0,2,1,12) R0E-M0-N14-J17
Task 2653 of 4096 (2,1,0,2,1,13) R0E-M0-N14-J17
Task 2654 of 4096 (2,1,0,2,1,14) R0E-M0-N14-J17
Task 2655 of 4096 (2,1,0,2,1,15) R0E-M0-N14-J17
Task 2656 of 4096 (2,1,0,3,0,0) R0E-M0-N14-J26
Task 2657 of 4096 (2,1,0,3,0,1) R0E-M0-N14-J26
Task 2658 of 4096 (2,1,0,3,0,2) R0E-M0-N14-J26
Task 2659 of 4096 (2,1,0,3,0,3) R0E-M0-N14-J26
Task 2660 of 4096 (2,1,0,3,0,4) R0E-M0-N14-J26
Task 2661 of 4096 (2,1,0,3,0,5) R0E-M0-N14-J26
Task 2662 of 4096 (2,1,0,3,0,6) R0E-M0-N14-J26
Task 2663 of 4096 (2,1,0,3,0,7) R0E-M0-N14-J26
Task 2664 of 4096 (2,1,0,3,0,8) R0E-M0-N14-J26
Task 2665 of 4096 (2,1,0,3,0,9) R0E-M0-N14-J26
Task 2666 of 4096 (2,1,0,3,0,10) R0E-M0-N14-J26
Task 2667 of 4096 (2,1,0,3,0,11) R0E-M0-N14-J26
Task 2668 of 4096 (2,1,0,3,0,12) R0E-M0-N14-J26
Task 2669 of 4096 (2,1,0,3,0,13) R0E-M0-N14-J26
Task 2670 of 4096 (2,1,0,3,0,14) R0E-M0-N14-J26
Task 2671 of 4096 (2,1,0,3,0,15) R0E-M0-N14-J26
Task 2672 of 4096 (2,1,0,3,1,0) R0E-M0-N14-J29
Task 2673 of 4096 (2,1,0,3,1,1) R0E-M0-N14-J29
Task 2674 of 4096 (2,1,0,3,1,2) R0E-M0-N14-J29
Task 2675 of 4096 (2,1,0,3,1,3) R0E-M0-N14-J29
Task 2676 of 4096 (2,1,0,3,1,4) R0E-M0-N14-J29
Task 2677 of 4096 (2,1,0,3,1,5) R0E-M0-N14-J29
Task 2678 of 4096 (2,1,0,3,1,6) R0E-M0-N14-J29
Task 2679 of 4096 (2,1,0,3,1,7) R0E-M0-N14-J29
Task 2680 of 4096 (2,1,0,3,1,8) R0E-M0-N14-J29
Task 2681 of 4096 (2,1,0,3,1,9) R0E-M0-N14-J29
Task 2682 of 4096 (2,1,0,3,1,10) R0E-M0-N14-J29
Task 2683 of 4096 (2,1,0,3,1,11) R0E-M0-N14-J29
Task 2684 of 4096 (2,1,0,3,1,12) R0E-M0-N14-J29
Task 2685 of 4096 (2,1,0,3,1,13) R0E-M0-N14-J29
Task 2686 of 4096 (2,1,0,3,1,14) R0E-M0-N14-J29
Task 2687 of 4096 (2,1,0,3,1,15) R0E-M0-N14-J29
Task 2688 of 4096 (2,1,1,0,0,0) R0E-M0-N12-J27
Task 2689 of 4096 (2,1,1,0,0,1) R0E-M0-N12-J27
Task 2690 of 4096 (2,1,1,0,0,2) R0E-M0-N12-J27
Task 2691 of 4096 (2,1,1,0,0,3) R0E-M0-N12-J27
Task 2692 of 4096 (2,1,1,0,0,4) R0E-M0-N12-J27
Task 2693 of 4096 (2,1,1,0,0,5) R0E-M0-N12-J27
Task 2694 of 4096 (2,1,1,0,0,6) R0E-M0-N12-J27
Task 2695 of 4096 (2,1,1,0,0,7) R0E-M0-N12-J27
Task 2696 of 4096 (2,1,1,0,0,8) R0E-M0-N12-J27
Task 2697 of 4096 (2,1,1,0,0,9) R0E-M0-N12-J27
Task 2698 of 4096 (2,1,1,0,0,10) R0E-M0-N12-J27
Task 2699 of 4096 (2,1,1,0,0,11) R0E-M0-N12-J27
Task 2700 of 4096 (2,1,1,0,0,12) R0E-M0-N12-J27
Task 2701 of 4096 (2,1,1,0,0,13) R0E-M0-N12-J27
Task 2702 of 4096 (2,1,1,0,0,14) R0E-M0-N12-J27
Task 2703 of 4096 (2,1,1,0,0,15) R0E-M0-N12-J27
Task 2704 of 4096 (2,1,1,0,1,0) R0E-M0-N12-J28
Task 2705 of 4096 (2,1,1,0,1,1) R0E-M0-N12-J28
Task 2706 of 4096 (2,1,1,0,1,2) R0E-M0-N12-J28
Task 2707 of 4096 (2,1,1,0,1,3) R0E-M0-N12-J28
Task 2708 of 4096 (2,1,1,0,1,4) R0E-M0-N12-J28
Task 2709 of 4096 (2,1,1,0,1,5) R0E-M0-N12-J28
Task 2710 of 4096 (2,1,1,0,1,6) R0E-M0-N12-J28
Task 2711 of 4096 (2,1,1,0,1,7) R0E-M0-N12-J28
Task 2712 of 4096 (2,1,1,0,1,8) R0E-M0-N12-J28
Task 2713 of 4096 (2,1,1,0,1,9) R0E-M0-N12-J28
Task 2714 of 4096 (2,1,1,0,1,10) R0E-M0-N12-J28
Task 2715 of 4096 (2,1,1,0,1,11) R0E-M0-N12-J28
Task 2716 of 4096 (2,1,1,0,1,12) R0E-M0-N12-J28
Task 2717 of 4096 (2,1,1,0,1,13) R0E-M0-N12-J28
Task 2718 of 4096 (2,1,1,0,1,14) R0E-M0-N12-J28
Task 2719 of 4096 (2,1,1,0,1,15) R0E-M0-N12-J28
Task 2720 of 4096 (2,1,1,1,0,0) R0E-M0-N12-J23
Task 2721 of 4096 (2,1,1,1,0,1) R0E-M0-N12-J23
Task 2722 of 4096 (2,1,1,1,0,2) R0E-M0-N12-J23
Task 2723 of 4096 (2,1,1,1,0,3) R0E-M0-N12-J23
Task 2724 of 4096 (2,1,1,1,0,4) R0E-M0-N12-J23
Task 2725 of 4096 (2,1,1,1,0,5) R0E-M0-N12-J23
Task 2726 of 4096 (2,1,1,1,0,6) R0E-M0-N12-J23
Task 2727 of 4096 (2,1,1,1,0,7) R0E-M0-N12-J23
Task 2728 of 4096 (2,1,1,1,0,8) R0E-M0-N12-J23
Task 2729 of 4096 (2,1,1,1,0,9) R0E-M0-N12-J23
Task 2730 of 4096 (2,1,1,1,0,10) R0E-M0-N12-J23
Task 2731 of 4096 (2,1,1,1,0,11) R0E-M0-N12-J23
Task 2732 of 4096 (2,1,1,1,0,12) R0E-M0-N12-J23
Task 2733 of 4096 (2,1,1,1,0,13) R0E-M0-N12-J23
Task 2734 of 4096 (2,1,1,1,0,14) R0E-M0-N12-J23
Task 2735 of 4096 (2,1,1,1,0,15) R0E-M0-N12-J23
Task 2736 of 4096 (2,1,1,1,1,0) R0E-M0-N12-J16
Task 2737 of 4096 (2,1,1,1,1,1) R0E-M0-N12-J16
Task 2738 of 4096 (2,1,1,1,1,2) R0E-M0-N12-J16
Task 2739 of 4096 (2,1,1,1,1,3) R0E-M0-N12-J16
Task 2740 of 4096 (2,1,1,1,1,4) R0E-M0-N12-J16
Task 2741 of 4096 (2,1,1,1,1,5) R0E-M0-N12-J16
Task 2742 of 4096 (2,1,1,1,1,6) R0E-M0-N12-J16
Task 2743 of 4096 (2,1,1,1,1,7) R0E-M0-N12-J16
Task 2744 of 4096 (2,1,1,1,1,8) R0E-M0-N12-J16
Task 2745 of 4096 (2,1,1,1,1,9) R0E-M0-N12-J16
Task 2746 of 4096 (2,1,1,1,1,10) R0E-M0-N12-J16
Task 2747 of 4096 (2,1,1,1,1,11) R0E-M0-N12-J16
Task 2748 of 4096 (2,1,1,1,1,12) R0E-M0-N12-J16
Task 2749 of 4096 (2,1,1,1,1,13) R0E-M0-N12-J16
Task 2750 of 4096 (2,1,1,1,1,14) R0E-M0-N12-J16
Task 2751 of 4096 (2,1,1,1,1,15) R0E-M0-N12-J16
Task 2752 of 4096 (2,1,1,2,0,0) R0E-M0-N14-J23
Task 2753 of 4096 (2,1,1,2,0,1) R0E-M0-N14-J23
Task 2754 of 4096 (2,1,1,2,0,2) R0E-M0-N14-J23
Task 2755 of 4096 (2,1,1,2,0,3) R0E-M0-N14-J23
Task 2756 of 4096 (2,1,1,2,0,4) R0E-M0-N14-J23
Task 2757 of 4096 (2,1,1,2,0,5) R0E-M0-N14-J23
Task 2758 of 4096 (2,1,1,2,0,6) R0E-M0-N14-J23
Task 2759 of 4096 (2,1,1,2,0,7) R0E-M0-N14-J23
Task 2760 of 4096 (2,1,1,2,0,8) R0E-M0-N14-J23
Task 2761 of 4096 (2,1,1,2,0,9) R0E-M0-N14-J23
Task 2762 of 4096 (2,1,1,2,0,10) R0E-M0-N14-J23
Task 2763 of 4096 (2,1,1,2,0,11) R0E-M0-N14-J23
Task 2764 of 4096 (2,1,1,2,0,12) R0E-M0-N14-J23
Task 2765 of 4096 (2,1,1,2,0,13) R0E-M0-N14-J23
Task 2766 of 4096 (2,1,1,2,0,14) R0E-M0-N14-J23
Task 2767 of 4096 (2,1,1,2,0,15) R0E-M0-N14-J23
Task 2768 of 4096 (2,1,1,2,1,0) R0E-M0-N14-J16
Task 2769 of 4096 (2,1,1,2,1,1) R0E-M0-N14-J16
Task 2770 of 4096 (2,1,1,2,1,2) R0E-M0-N14-J16
Task 2771 of 4096 (2,1,1,2,1,3) R0E-M0-N14-J16
Task 2772 of 4096 (2,1,1,2,1,4) R0E-M0-N14-J16
Task 2773 of 4096 (2,1,1,2,1,5) R0E-M0-N14-J16
Task 2774 of 4096 (2,1,1,2,1,6) R0E-M0-N14-J16
Task 2775 of 4096 (2,1,1,2,1,7) R0E-M0-N14-J16
Task 2776 of 4096 (2,1,1,2,1,8) R0E-M0-N14-J16
Task 2777 of 4096 (2,1,1,2,1,9) R0E-M0-N14-J16
Task 2778 of 4096 (2,1,1,2,1,10) R0E-M0-N14-J16
Task 2779 of 4096 (2,1,1,2,1,11) R0E-M0-N14-J16
Task 2780 of 4096 (2,1,1,2,1,12) R0E-M0-N14-J16
Task 2781 of 4096 (2,1,1,2,1,13) R0E-M0-N14-J16
Task 2782 of 4096 (2,1,1,2,1,14) R0E-M0-N14-J16
Task 2783 of 4096 (2,1,1,2,1,15) R0E-M0-N14-J16
Task 2784 of 4096 (2,1,1,3,0,0) R0E-M0-N14-J27
Task 2785 of 4096 (2,1,1,3,0,1) R0E-M0-N14-J27
Task 2786 of 4096 (2,1,1,3,0,2) R0E-M0-N14-J27
Task 2787 of 4096 (2,1,1,3,0,3) R0E-M0-N14-J27
Task 2788 of 4096 (2,1,1,3,0,4) R0E-M0-N14-J27
Task 2789 of 4096 (2,1,1,3,0,5) R0E-M0-N14-J27
Task 2790 of 4096 (2,1,1,3,0,6) R0E-M0-N14-J27
Task 2791 of 4096 (2,1,1,3,0,7) R0E-M0-N14-J27
Task 2792 of 4096 (2,1,1,3,0,8) R0E-M0-N14-J27
Task 2793 of 4096 (2,1,1,3,0,9) R0E-M0-N14-J27
Task 2794 of 4096 (2,1,1,3,0,10) R0E-M0-N14-J27
Task 2795 of 4096 (2,1,1,3,0,11) R0E-M0-N14-J27
Task 2796 of 4096 (2,1,1,3,0,12) R0E-M0-N14-J27
Task 2797 of 4096 (2,1,1,3,0,13) R0E-M0-N14-J27
Task 2798 of 4096 (2,1,1,3,0,14) R0E-M0-N14-J27
Task 2799 of 4096 (2,1,1,3,0,15) R0E-M0-N14-J27
Task 2800 of 4096 (2,1,1,3,1,0) R0E-M0-N14-J28
Task 2801 of 4096 (2,1,1,3,1,1) R0E-M0-N14-J28
Task 2802 of 4096 (2,1,1,3,1,2) R0E-M0-N14-J28
Task 2803 of 4096 (2,1,1,3,1,3) R0E-M0-N14-J28
Task 2804 of 4096 (2,1,1,3,1,4) R0E-M0-N14-J28
Task 2805 of 4096 (2,1,1,3,1,5) R0E-M0-N14-J28
Task 2806 of 4096 (2,1,1,3,1,6) R0E-M0-N14-J28
Task 2807 of 4096 (2,1,1,3,1,7) R0E-M0-N14-J28
Task 2808 of 4096 (2,1,1,3,1,8) R0E-M0-N14-J28
Task 2809 of 4096 (2,1,1,3,1,9) R0E-M0-N14-J28
Task 2810 of 4096 (2,1,1,3,1,10) R0E-M0-N14-J28
Task 2811 of 4096 (2,1,1,3,1,11) R0E-M0-N14-J28
Task 2812 of 4096 (2,1,1,3,1,12) R0E-M0-N14-J28
Task 2813 of 4096 (2,1,1,3,1,13) R0E-M0-N14-J28
Task 2814 of 4096 (2,1,1,3,1,14) R0E-M0-N14-J28
Task 2815 of 4096 (2,1,1,3,1,15) R0E-M0-N14-J28
Task 2816 of 4096 (2,1,2,0,0,0) R0E-M0-N13-J27
Task 2817 of 4096 (2,1,2,0,0,1) R0E-M0-N13-J27
Task 2818 of 4096 (2,1,2,0,0,2) R0E-M0-N13-J27
Task 2819 of 4096 (2,1,2,0,0,3) R0E-M0-N13-J27
Task 2820 of 4096 (2,1,2,0,0,4) R0E-M0-N13-J27
Task 2821 of 4096 (2,1,2,0,0,5) R0E-M0-N13-J27
Task 2822 of 4096 (2,1,2,0,0,6) R0E-M0-N13-J27
Task 2823 of 4096 (2,1,2,0,0,7) R0E-M0-N13-J27
Task 2824 of 4096 (2,1,2,0,0,8) R0E-M0-N13-J27
Task 2825 of 4096 (2,1,2,0,0,9) R0E-M0-N13-J27
Task 2826 of 4096 (2,1,2,0,0,10) R0E-M0-N13-J27
Task 2827 of 4096 (2,1,2,0,0,11) R0E-M0-N13-J27
Task 2828 of 4096 (2,1,2,0,0,12) R0E-M0-N13-J27
Task 2829 of 4096 (2,1,2,0,0,13) R0E-M0-N13-J27
Task 2830 of 4096 (2,1,2,0,0,14) R0E-M0-N13-J27
Task 2831 of 4096 (2,1,2,0,0,15) R0E-M0-N13-J27
Task 2832 of 4096 (2,1,2,0,1,0) R0E-M0-N13-J28
Task 2833 of 4096 (2,1,2,0,1,1) R0E-M0-N13-J28
Task 2834 of 4096 (2,1,2,0,1,2) R0E-M0-N13-J28
Task 2835 of 4096 (2,1,2,0,1,3) R0E-M0-N13-J28
Task 2836 of 4096 (2,1,2,0,1,4) R0E-M0-N13-J28
Task 2837 of 4096 (2,1,2,0,1,5) R0E-M0-N13-J28
Task 2838 of 4096 (2,1,2,0,1,6) R0E-M0-N13-J28
Task 2839 of 4096 (2,1,2,0,1,7) R0E-M0-N13-J28
Task 2840 of 4096 (2,1,2,0,1,8) R0E-M0-N13-J28
Task 2841 of 4096 (2,1,2,0,1,9) R0E-M0-N13-J28
Task 2842 of 4096 (2,1,2,0,1,10) R0E-M0-N13-J28
Task 2843 of 4096 (2,1,2,0,1,11) R0E-M0-N13-J28
Task 2844 of 4096 (2,1,2,0,1,12) R0E-M0-N13-J28
Task 2845 of 4096 (2,1,2,0,1,13) R0E-M0-N13-J28
Task 2846 of 4096 (2,1,2,0,1,14) R0E-M0-N13-J28
Task 2847 of 4096 (2,1,2,0,1,15) R0E-M0-N13-J28
Task 2848 of 4096 (2,1,2,1,0,0) R0E-M0-N13-J23
Task 2849 of 4096 (2,1,2,1,0,1) R0E-M0-N13-J23
Task 2850 of 4096 (2,1,2,1,0,2) R0E-M0-N13-J23
Task 2851 of 4096 (2,1,2,1,0,3) R0E-M0-N13-J23
Task 2852 of 4096 (2,1,2,1,0,4) R0E-M0-N13-J23
Task 2853 of 4096 (2,1,2,1,0,5) R0E-M0-N13-J23
Task 2854 of 4096 (2,1,2,1,0,6) R0E-M0-N13-J23
Task 2855 of 4096 (2,1,2,1,0,7) R0E-M0-N13-J23
Task 2856 of 4096 (2,1,2,1,0,8) R0E-M0-N13-J23
Task 2857 of 4096 (2,1,2,1,0,9) R0E-M0-N13-J23
Task 2858 of 4096 (2,1,2,1,0,10) R0E-M0-N13-J23
Task 2859 of 4096 (2,1,2,1,0,11) R0E-M0-N13-J23
Task 2860 of 4096 (2,1,2,1,0,12) R0E-M0-N13-J23
Task 2861 of 4096 (2,1,2,1,0,13) R0E-M0-N13-J23
Task 2862 of 4096 (2,1,2,1,0,14) R0E-M0-N13-J23
Task 2863 of 4096 (2,1,2,1,0,15) R0E-M0-N13-J23
Task 2864 of 4096 (2,1,2,1,1,0) R0E-M0-N13-J16
Task 2865 of 4096 (2,1,2,1,1,1) R0E-M0-N13-J16
Task 2866 of 4096 (2,1,2,1,1,2) R0E-M0-N13-J16
Task 2867 of 4096 (2,1,2,1,1,3) R0E-M0-N13-J16
Task 2868 of 4096 (2,1,2,1,1,4) R0E-M0-N13-J16
Task 2869 of 4096 (2,1,2,1,1,5) R0E-M0-N13-J16
Task 2870 of 4096 (2,1,2,1,1,6) R0E-M0-N13-J16
Task 2871 of 4096 (2,1,2,1,1,7) R0E-M0-N13-J16
Task 2872 of 4096 (2,1,2,1,1,8) R0E-M0-N13-J16
Task 2873 of 4096 (2,1,2,1,1,9) R0E-M0-N13-J16
Task 2874 of 4096 (2,1,2,1,1,10) R0E-M0-N13-J16
Task 2875 of 4096 (2,1,2,1,1,11) R0E-M0-N13-J16
Task 2876 of 4096 (2,1,2,1,1,12) R0E-M0-N13-J16
Task 2877 of 4096 (2,1,2,1,1,13) R0E-M0-N13-J16
Task 2878 of 4096 (2,1,2,1,1,14) R0E-M0-N13-J16
Task 2879 of 4096 (2,1,2,1,1,15) R0E-M0-N13-J16
Task 2880 of 4096 (2,1,2,2,0,0) R0E-M0-N15-J23
Task 2881 of 4096 (2,1,2,2,0,1) R0E-M0-N15-J23
Task 2882 of 4096 (2,1,2,2,0,2) R0E-M0-N15-J23
Task 2883 of 4096 (2,1,2,2,0,3) R0E-M0-N15-J23
Task 2884 of 4096 (2,1,2,2,0,4) R0E-M0-N15-J23
Task 2885 of 4096 (2,1,2,2,0,5) R0E-M0-N15-J23
Task 2886 of 4096 (2,1,2,2,0,6) R0E-M0-N15-J23
Task 2887 of 4096 (2,1,2,2,0,7) R0E-M0-N15-J23
Task 2888 of 4096 (2,1,2,2,0,8) R0E-M0-N15-J23
Task 2889 of 4096 (2,1,2,2,0,9) R0E-M0-N15-J23
Task 2890 of 4096 (2,1,2,2,0,10) R0E-M0-N15-J23
Task 2891 of 4096 (2,1,2,2,0,11) R0E-M0-N15-J23
Task 2892 of 4096 (2,1,2,2,0,12) R0E-M0-N15-J23
Task 2893 of 4096 (2,1,2,2,0,13) R0E-M0-N15-J23
Task 2894 of 4096 (2,1,2,2,0,14) R0E-M0-N15-J23
Task 2895 of 4096 (2,1,2,2,0,15) R0E-M0-N15-J23
Task 2896 of 4096 (2,1,2,2,1,0) R0E-M0-N15-J16
Task 2897 of 4096 (2,1,2,2,1,1) R0E-M0-N15-J16
Task 2898 of 4096 (2,1,2,2,1,2) R0E-M0-N15-J16
Task 2899 of 4096 (2,1,2,2,1,3) R0E-M0-N15-J16
Task 2900 of 4096 (2,1,2,2,1,4) R0E-M0-N15-J16
Task 2901 of 4096 (2,1,2,2,1,5) R0E-M0-N15-J16
Task 2902 of 4096 (2,1,2,2,1,6) R0E-M0-N15-J16
Task 2903 of 4096 (2,1,2,2,1,7) R0E-M0-N15-J16
Task 2904 of 4096 (2,1,2,2,1,8) R0E-M0-N15-J16
Task 2905 of 4096 (2,1,2,2,1,9) R0E-M0-N15-J16
Task 2906 of 4096 (2,1,2,2,1,10) R0E-M0-N15-J16
Task 2907 of 4096 (2,1,2,2,1,11) R0E-M0-N15-J16
Task 2908 of 4096 (2,1,2,2,1,12) R0E-M0-N15-J16
Task 2909 of 4096 (2,1,2,2,1,13) R0E-M0-N15-J16
Task 2910 of 4096 (2,1,2,2,1,14) R0E-M0-N15-J16
Task 2911 of 4096 (2,1,2,2,1,15) R0E-M0-N15-J16
Task 2912 of 4096 (2,1,2,3,0,0) R0E-M0-N15-J27
Task 2913 of 4096 (2,1,2,3,0,1) R0E-M0-N15-J27
Task 2914 of 4096 (2,1,2,3,0,2) R0E-M0-N15-J27
Task 2915 of 4096 (2,1,2,3,0,3) R0E-M0-N15-J27
Task 2916 of 4096 (2,1,2,3,0,4) R0E-M0-N15-J27
Task 2917 of 4096 (2,1,2,3,0,5) R0E-M0-N15-J27
Task 2918 of 4096 (2,1,2,3,0,6) R0E-M0-N15-J27
Task 2919 of 4096 (2,1,2,3,0,7) R0E-M0-N15-J27
Task 2920 of 4096 (2,1,2,3,0,8) R0E-M0-N15-J27
Task 2921 of 4096 (2,1,2,3,0,9) R0E-M0-N15-J27
Task 2922 of 4096 (2,1,2,3,0,10) R0E-M0-N15-J27
Task 2923 of 4096 (2,1,2,3,0,11) R0E-M0-N15-J27
Task 2924 of 4096 (2,1,2,3,0,12) R0E-M0-N15-J27
Task 2925 of 4096 (2,1,2,3,0,13) R0E-M0-N15-J27
Task 2926 of 4096 (2,1,2,3,0,14) R0E-M0-N15-J27
Task 2927 of 4096 (2,1,2,3,0,15) R0E-M0-N15-J27
Task 2928 of 4096 (2,1,2,3,1,0) R0E-M0-N15-J28
Task 2929 of 4096 (2,1,2,3,1,1) R0E-M0-N15-J28
Task 2930 of 4096 (2,1,2,3,1,2) R0E-M0-N15-J28
Task 2931 of 4096 (2,1,2,3,1,3) R0E-M0-N15-J28
Task 2932 of 4096 (2,1,2,3,1,4) R0E-M0-N15-J28
Task 2933 of 4096 (2,1,2,3,1,5) R0E-M0-N15-J28
Task 2934 of 4096 (2,1,2,3,1,6) R0E-M0-N15-J28
Task 2935 of 4096 (2,1,2,3,1,7) R0E-M0-N15-J28
Task 2936 of 4096 (2,1,2,3,1,8) R0E-M0-N15-J28
Task 2937 of 4096 (2,1,2,3,1,9) R0E-M0-N15-J28
Task 2938 of 4096 (2,1,2,3,1,10) R0E-M0-N15-J28
Task 2939 of 4096 (2,1,2,3,1,11) R0E-M0-N15-J28
Task 2940 of 4096 (2,1,2,3,1,12) R0E-M0-N15-J28
Task 2941 of 4096 (2,1,2,3,1,13) R0E-M0-N15-J28
Task 2942 of 4096 (2,1,2,3,1,14) R0E-M0-N15-J28
Task 2943 of 4096 (2,1,2,3,1,15) R0E-M0-N15-J28
Task 2944 of 4096 (2,1,3,0,0,0) R0E-M0-N13-J26
Task 2945 of 4096 (2,1,3,0,0,1) R0E-M0-N13-J26
Task 2946 of 4096 (2,1,3,0,0,2) R0E-M0-N13-J26
Task 2947 of 4096 (2,1,3,0,0,3) R0E-M0-N13-J26
Task 2948 of 4096 (2,1,3,0,0,4) R0E-M0-N13-J26
Task 2949 of 4096 (2,1,3,0,0,5) R0E-M0-N13-J26
Task 2950 of 4096 (2,1,3,0,0,6) R0E-M0-N13-J26
Task 2951 of 4096 (2,1,3,0,0,7) R0E-M0-N13-J26
Task 2952 of 4096 (2,1,3,0,0,8) R0E-M0-N13-J26
Task 2953 of 4096 (2,1,3,0,0,9) R0E-M0-N13-J26
Task 2954 of 4096 (2,1,3,0,0,10) R0E-M0-N13-J26
Task 2955 of 4096 (2,1,3,0,0,11) R0E-M0-N13-J26
Task 2956 of 4096 (2,1,3,0,0,12) R0E-M0-N13-J26
Task 2957 of 4096 (2,1,3,0,0,13) R0E-M0-N13-J26
Task 2958 of 4096 (2,1,3,0,0,14) R0E-M0-N13-J26
Task 2959 of 4096 (2,1,3,0,0,15) R0E-M0-N13-J26
Task 2960 of 4096 (2,1,3,0,1,0) R0E-M0-N13-J29
Task 2961 of 4096 (2,1,3,0,1,1) R0E-M0-N13-J29
Task 2962 of 4096 (2,1,3,0,1,2) R0E-M0-N13-J29
Task 2963 of 4096 (2,1,3,0,1,3) R0E-M0-N13-J29
Task 2964 of 4096 (2,1,3,0,1,4) R0E-M0-N13-J29
Task 2965 of 4096 (2,1,3,0,1,5) R0E-M0-N13-J29
Task 2966 of 4096 (2,1,3,0,1,6) R0E-M0-N13-J29
Task 2967 of 4096 (2,1,3,0,1,7) R0E-M0-N13-J29
Task 2968 of 4096 (2,1,3,0,1,8) R0E-M0-N13-J29
Task 2969 of 4096 (2,1,3,0,1,9) R0E-M0-N13-J29
Task 2970 of 4096 (2,1,3,0,1,10) R0E-M0-N13-J29
Task 2971 of 4096 (2,1,3,0,1,11) R0E-M0-N13-J29
Task 2972 of 4096 (2,1,3,0,1,12) R0E-M0-N13-J29
Task 2973 of 4096 (2,1,3,0,1,13) R0E-M0-N13-J29
Task 2974 of 4096 (2,1,3,0,1,14) R0E-M0-N13-J29
Task 2975 of 4096 (2,1,3,0,1,15) R0E-M0-N13-J29
Task 2976 of 4096 (2,1,3,1,0,0) R0E-M0-N13-J22
Task 2977 of 4096 (2,1,3,1,0,1) R0E-M0-N13-J22
Task 2978 of 4096 (2,1,3,1,0,2) R0E-M0-N13-J22
Task 2979 of 4096 (2,1,3,1,0,3) R0E-M0-N13-J22
Task 2980 of 4096 (2,1,3,1,0,4) R0E-M0-N13-J22
Task 2981 of 4096 (2,1,3,1,0,5) R0E-M0-N13-J22
Task 2982 of 4096 (2,1,3,1,0,6) R0E-M0-N13-J22
Task 2983 of 4096 (2,1,3,1,0,7) R0E-M0-N13-J22
Task 2984 of 4096 (2,1,3,1,0,8) R0E-M0-N13-J22
Task 2985 of 4096 (2,1,3,1,0,9) R0E-M0-N13-J22
Task 2986 of 4096 (2,1,3,1,0,10) R0E-M0-N13-J22
Task 2987 of 4096 (2,1,3,1,0,11) R0E-M0-N13-J22
Task 2988 of 4096 (2,1,3,1,0,12) R0E-M0-N13-J22
Task 2989 of 4096 (2,1,3,1,0,13) R0E-M0-N13-J22
Task 2990 of 4096 (2,1,3,1,0,14) R0E-M0-N13-J22
Task 2991 of 4096 (2,1,3,1,0,15) R0E-M0-N13-J22
Task 2992 of 4096 (2,1,3,1,1,0) R0E-M0-N13-J17
Task 2993 of 4096 (2,1,3,1,1,1) R0E-M0-N13-J17
Task 2994 of 4096 (2,1,3,1,1,2) R0E-M0-N13-J17
Task 2995 of 4096 (2,1,3,1,1,3) R0E-M0-N13-J17
Task 2996 of 4096 (2,1,3,1,1,4) R0E-M0-N13-J17
Task 2997 of 4096 (2,1,3,1,1,5) R0E-M0-N13-J17
Task 2998 of 4096 (2,1,3,1,1,6) R0E-M0-N13-J17
Task 2999 of 4096 (2,1,3,1,1,7) R0E-M0-N13-J17
Task 3000 of 4096 (2,1,3,1,1,8) R0E-M0-N13-J17
Task 3001 of 4096 (2,1,3,1,1,9) R0E-M0-N13-J17
Task 3002 of 4096 (2,1,3,1,1,10) R0E-M0-N13-J17
Task 3003 of 4096 (2,1,3,1,1,11) R0E-M0-N13-J17
Task 3004 of 4096 (2,1,3,1,1,12) R0E-M0-N13-J17
Task 3005 of 4096 (2,1,3,1,1,13) R0E-M0-N13-J17
Task 3006 of 4096 (2,1,3,1,1,14) R0E-M0-N13-J17
Task 3007 of 4096 (2,1,3,1,1,15) R0E-M0-N13-J17
Task 3008 of 4096 (2,1,3,2,0,0) R0E-M0-N15-J22
Task 3009 of 4096 (2,1,3,2,0,1) R0E-M0-N15-J22
Task 3010 of 4096 (2,1,3,2,0,2) R0E-M0-N15-J22
Task 3011 of 4096 (2,1,3,2,0,3) R0E-M0-N15-J22
Task 3012 of 4096 (2,1,3,2,0,4) R0E-M0-N15-J22
Task 3013 of 4096 (2,1,3,2,0,5) R0E-M0-N15-J22
Task 3014 of 4096 (2,1,3,2,0,6) R0E-M0-N15-J22
Task 3015 of 4096 (2,1,3,2,0,7) R0E-M0-N15-J22
Task 3016 of 4096 (2,1,3,2,0,8) R0E-M0-N15-J22
Task 3017 of 4096 (2,1,3,2,0,9) R0E-M0-N15-J22
Task 3018 of 4096 (2,1,3,2,0,10) R0E-M0-N15-J22
Task 3019 of 4096 (2,1,3,2,0,11) R0E-M0-N15-J22
Task 3020 of 4096 (2,1,3,2,0,12) R0E-M0-N15-J22
Task 3021 of 4096 (2,1,3,2,0,13) R0E-M0-N15-J22
Task 3022 of 4096 (2,1,3,2,0,14) R0E-M0-N15-J22
Task 3023 of 4096 (2,1,3,2,0,15) R0E-M0-N15-J22
Task 3024 of 4096 (2,1,3,2,1,0) R0E-M0-N15-J17
Task 3025 of 4096 (2,1,3,2,1,1) R0E-M0-N15-J17
Task 3026 of 4096 (2,1,3,2,1,2) R0E-M0-N15-J17
Task 3027 of 4096 (2,1,3,2,1,3) R0E-M0-N15-J17
Task 3028 of 4096 (2,1,3,2,1,4) R0E-M0-N15-J17
Task 3029 of 4096 (2,1,3,2,1,5) R0E-M0-N15-J17
Task 3030 of 4096 (2,1,3,2,1,6) R0E-M0-N15-J17
Task 3031 of 4096 (2,1,3,2,1,7) R0E-M0-N15-J17
Task 3032 of 4096 (2,1,3,2,1,8) R0E-M0-N15-J17
Task 3033 of 4096 (2,1,3,2,1,9) R0E-M0-N15-J17
Task 3034 of 4096 (2,1,3,2,1,10) R0E-M0-N15-J17
Task 3035 of 4096 (2,1,3,2,1,11) R0E-M0-N15-J17
Task 3036 of 4096 (2,1,3,2,1,12) R0E-M0-N15-J17
Task 3037 of 4096 (2,1,3,2,1,13) R0E-M0-N15-J17
Task 3038 of 4096 (2,1,3,2,1,14) R0E-M0-N15-J17
Task 3039 of 4096 (2,1,3,2,1,15) R0E-M0-N15-J17
Task 3040 of 4096 (2,1,3,3,0,0) R0E-M0-N15-J26
Task 3041 of 4096 (2,1,3,3,0,1) R0E-M0-N15-J26
Task 3042 of 4096 (2,1,3,3,0,2) R0E-M0-N15-J26
Task 3043 of 4096 (2,1,3,3,0,3) R0E-M0-N15-J26
Task 3044 of 4096 (2,1,3,3,0,4) R0E-M0-N15-J26
Task 3045 of 4096 (2,1,3,3,0,5) R0E-M0-N15-J26
Task 3046 of 4096 (2,1,3,3,0,6) R0E-M0-N15-J26
Task 3047 of 4096 (2,1,3,3,0,7) R0E-M0-N15-J26
Task 3048 of 4096 (2,1,3,3,0,8) R0E-M0-N15-J26
Task 3049 of 4096 (2,1,3,3,0,9) R0E-M0-N15-J26
Task 3050 of 4096 (2,1,3,3,0,10) R0E-M0-N15-J26
Task 3051 of 4096 (2,1,3,3,0,11) R0E-M0-N15-J26
Task 3052 of 4096 (2,1,3,3,0,12) R0E-M0-N15-J26
Task 3053 of 4096 (2,1,3,3,0,13) R0E-M0-N15-J26
Task 3054 of 4096 (2,1,3,3,0,14) R0E-M0-N15-J26
Task 3055 of 4096 (2,1,3,3,0,15) R0E-M0-N15-J26
Task 3056 of 4096 (2,1,3,3,1,0) R0E-M0-N15-J29
Task 3057 of 4096 (2,1,3,3,1,1) R0E-M0-N15-J29
Task 3058 of 4096 (2,1,3,3,1,2) R0E-M0-N15-J29
Task 3059 of 4096 (2,1,3,3,1,3) R0E-M0-N15-J29
Task 3060 of 4096 (2,1,3,3,1,4) R0E-M0-N15-J29
Task 3061 of 4096 (2,1,3,3,1,5) R0E-M0-N15-J29
Task 3062 of 4096 (2,1,3,3,1,6) R0E-M0-N15-J29
Task 3063 of 4096 (2,1,3,3,1,7) R0E-M0-N15-J29
Task 3064 of 4096 (2,1,3,3,1,8) R0E-M0-N15-J29
Task 3065 of 4096 (2,1,3,3,1,9) R0E-M0-N15-J29
Task 3066 of 4096 (2,1,3,3,1,10) R0E-M0-N15-J29
Task 3067 of 4096 (2,1,3,3,1,11) R0E-M0-N15-J29
Task 3068 of 4096 (2,1,3,3,1,12) R0E-M0-N15-J29
Task 3069 of 4096 (2,1,3,3,1,13) R0E-M0-N15-J29
Task 3070 of 4096 (2,1,3,3,1,14) R0E-M0-N15-J29
Task 3071 of 4096 (2,1,3,3,1,15) R0E-M0-N15-J29
Task 3072 of 4096 (3,0,0,0,0,0) R0E-M0-N12-J04
Task 3073 of 4096 (3,0,0,0,0,1) R0E-M0-N12-J04
Task 3074 of 4096 (3,0,0,0,0,2) R0E-M0-N12-J04
Task 3075 of 4096 (3,0,0,0,0,3) R0E-M0-N12-J04
Task 3076 of 4096 (3,0,0,0,0,4) R0E-M0-N12-J04
Task 3077 of 4096 (3,0,0,0,0,5) R0E-M0-N12-J04
Task 3078 of 4096 (3,0,0,0,0,6) R0E-M0-N12-J04
Task 3079 of 4096 (3,0,0,0,0,7) R0E-M0-N12-J04
Task 3080 of 4096 (3,0,0,0,0,8) R0E-M0-N12-J04
Task 3081 of 4096 (3,0,0,0,0,9) R0E-M0-N12-J04
Task 3082 of 4096 (3,0,0,0,0,10) R0E-M0-N12-J04
Task 3083 of 4096 (3,0,0,0,0,11) R0E-M0-N12-J04
Task 3084 of 4096 (3,0,0,0,0,12) R0E-M0-N12-J04
Task 3085 of 4096 (3,0,0,0,0,13) R0E-M0-N12-J04
Task 3086 of 4096 (3,0,0,0,0,14) R0E-M0-N12-J04
Task 3087 of 4096 (3,0,0,0,0,15) R0E-M0-N12-J04
Task 3088 of 4096 (3,0,0,0,1,0) R0E-M0-N12-J03
Task 3089 of 4096 (3,0,0,0,1,1) R0E-M0-N12-J03
Task 3090 of 4096 (3,0,0,0,1,2) R0E-M0-N12-J03
Task 3091 of 4096 (3,0,0,0,1,3) R0E-M0-N12-J03
Task 3092 of 4096 (3,0,0,0,1,4) R0E-M0-N12-J03
Task 3093 of 4096 (3,0,0,0,1,5) R0E-M0-N12-J03
Task 3094 of 4096 (3,0,0,0,1,6) R0E-M0-N12-J03
Task 3095 of 4096 (3,0,0,0,1,7) R0E-M0-N12-J03
Task 3096 of 4096 (3,0,0,0,1,8) R0E-M0-N12-J03
Task 3097 of 4096 (3,0,0,0,1,9) R0E-M0-N12-J03
Task 3098 of 4096 (3,0,0,0,1,10) R0E-M0-N12-J03
Task 3099 of 4096 (3,0,0,0,1,11) R0E-M0-N12-J03
Task 3100 of 4096 (3,0,0,0,1,12) R0E-M0-N12-J03
Task 3101 of 4096 (3,0,0,0,1,13) R0E-M0-N12-J03
Task 3102 of 4096 (3,0,0,0,1,14) R0E-M0-N12-J03
Task 3103 of 4096 (3,0,0,0,1,15) R0E-M0-N12-J03
Task 3104 of 4096 (3,0,0,1,0,0) R0E-M0-N12-J08
Task 3105 of 4096 (3,0,0,1,0,1) R0E-M0-N12-J08
Task 3106 of 4096 (3,0,0,1,0,2) R0E-M0-N12-J08
Task 3107 of 4096 (3,0,0,1,0,3) R0E-M0-N12-J08
Task 3108 of 4096 (3,0,0,1,0,4) R0E-M0-N12-J08
Task 3109 of 4096 (3,0,0,1,0,5) R0E-M0-N12-J08
Task 3110 of 4096 (3,0,0,1,0,6) R0E-M0-N12-J08
Task 3111 of 4096 (3,0,0,1,0,7) R0E-M0-N12-J08
Task 3112 of 4096 (3,0,0,1,0,8) R0E-M0-N12-J08
Task 3113 of 4096 (3,0,0,1,0,9) R0E-M0-N12-J08
Task 3114 of 4096 (3,0,0,1,0,10) R0E-M0-N12-J08
Task 3115 of 4096 (3,0,0,1,0,11) R0E-M0-N12-J08
Task 3116 of 4096 (3,0,0,1,0,12) R0E-M0-N12-J08
Task 3117 of 4096 (3,0,0,1,0,13) R0E-M0-N12-J08
Task 3118 of 4096 (3,0,0,1,0,14) R0E-M0-N12-J08
Task 3119 of 4096 (3,0,0,1,0,15) R0E-M0-N12-J08
Task 3120 of 4096 (3,0,0,1,1,0) R0E-M0-N12-J15
Task 3121 of 4096 (3,0,0,1,1,1) R0E-M0-N12-J15
Task 3122 of 4096 (3,0,0,1,1,2) R0E-M0-N12-J15
Task 3123 of 4096 (3,0,0,1,1,3) R0E-M0-N12-J15
Task 3124 of 4096 (3,0,0,1,1,4) R0E-M0-N12-J15
Task 3125 of 4096 (3,0,0,1,1,5) R0E-M0-N12-J15
Task 3126 of 4096 (3,0,0,1,1,6) R0E-M0-N12-J15
Task 3127 of 4096 (3,0,0,1,1,7) R0E-M0-N12-J15
Task 3128 of 4096 (3,0,0,1,1,8) R0E-M0-N12-J15
Task 3129 of 4096 (3,0,0,1,1,9) R0E-M0-N12-J15
Task 3130 of 4096 (3,0,0,1,1,10) R0E-M0-N12-J15
Task 3131 of 4096 (3,0,0,1,1,11) R0E-M0-N12-J15
Task 3132 of 4096 (3,0,0,1,1,12) R0E-M0-N12-J15
Task 3133 of 4096 (3,0,0,1,1,13) R0E-M0-N12-J15
Task 3134 of 4096 (3,0,0,1,1,14) R0E-M0-N12-J15
Task 3135 of 4096 (3,0,0,1,1,15) R0E-M0-N12-J15
Task 3136 of 4096 (3,0,0,2,0,0) R0E-M0-N14-J08
Task 3137 of 4096 (3,0,0,2,0,1) R0E-M0-N14-J08
Task 3138 of 4096 (3,0,0,2,0,2) R0E-M0-N14-J08
Task 3139 of 4096 (3,0,0,2,0,3) R0E-M0-N14-J08
Task 3140 of 4096 (3,0,0,2,0,4) R0E-M0-N14-J08
Task 3141 of 4096 (3,0,0,2,0,5) R0E-M0-N14-J08
Task 3142 of 4096 (3,0,0,2,0,6) R0E-M0-N14-J08
Task 3143 of 4096 (3,0,0,2,0,7) R0E-M0-N14-J08
Task 3144 of 4096 (3,0,0,2,0,8) R0E-M0-N14-J08
Task 3145 of 4096 (3,0,0,2,0,9) R0E-M0-N14-J08
Task 3146 of 4096 (3,0,0,2,0,10) R0E-M0-N14-J08
Task 3147 of 4096 (3,0,0,2,0,11) R0E-M0-N14-J08
Task 3148 of 4096 (3,0,0,2,0,12) R0E-M0-N14-J08
Task 3149 of 4096 (3,0,0,2,0,13) R0E-M0-N14-J08
Task 3150 of 4096 (3,0,0,2,0,14) R0E-M0-N14-J08
Task 3151 of 4096 (3,0,0,2,0,15) R0E-M0-N14-J08
Task 3152 of 4096 (3,0,0,2,1,0) R0E-M0-N14-J15
Task 3153 of 4096 (3,0,0,2,1,1) R0E-M0-N14-J15
Task 3154 of 4096 (3,0,0,2,1,2) R0E-M0-N14-J15
Task 3155 of 4096 (3,0,0,2,1,3) R0E-M0-N14-J15
Task 3156 of 4096 (3,0,0,2,1,4) R0E-M0-N14-J15
Task 3157 of 4096 (3,0,0,2,1,5) R0E-M0-N14-J15
Task 3158 of 4096 (3,0,0,2,1,6) R0E-M0-N14-J15
Task 3159 of 4096 (3,0,0,2,1,7) R0E-M0-N14-J15
Task 3160 of 4096 (3,0,0,2,1,8) R0E-M0-N14-J15
Task 3161 of 4096 (3,0,0,2,1,9) R0E-M0-N14-J15
Task 3162 of 4096 (3,0,0,2,1,10) R0E-M0-N14-J15
Task 3163 of 4096 (3,0,0,2,1,11) R0E-M0-N14-J15
Task 3164 of 4096 (3,0,0,2,1,12) R0E-M0-N14-J15
Task 3165 of 4096 (3,0,0,2,1,13) R0E-M0-N14-J15
Task 3166 of 4096 (3,0,0,2,1,14) R0E-M0-N14-J15
Task 3167 of 4096 (3,0,0,2,1,15) R0E-M0-N14-J15
Task 3168 of 4096 (3,0,0,3,0,0) R0E-M0-N14-J04
Task 3169 of 4096 (3,0,0,3,0,1) R0E-M0-N14-J04
Task 3170 of 4096 (3,0,0,3,0,2) R0E-M0-N14-J04
Task 3171 of 4096 (3,0,0,3,0,3) R0E-M0-N14-J04
Task 3172 of 4096 (3,0,0,3,0,4) R0E-M0-N14-J04
Task 3173 of 4096 (3,0,0,3,0,5) R0E-M0-N14-J04
Task 3174 of 4096 (3,0,0,3,0,6) R0E-M0-N14-J04
Task 3175 of 4096 (3,0,0,3,0,7) R0E-M0-N14-J04
Task 3176 of 4096 (3,0,0,3,0,8) R0E-M0-N14-J04
Task 3177 of 4096 (3,0,0,3,0,9) R0E-M0-N14-J04
Task 3178 of 4096 (3,0,0,3,0,10) R0E-M0-N14-J04
Task 3179 of 4096 (3,0,0,3,0,11) R0E-M0-N14-J04
Task 3180 of 4096 (3,0,0,3,0,12) R0E-M0-N14-J04
Task 3181 of 4096 (3,0,0,3,0,13) R0E-M0-N14-J04
Task 3182 of 4096 (3,0,0,3,0,14) R0E-M0-N14-J04
Task 3183 of 4096 (3,0,0,3,0,15) R0E-M0-N14-J04
Task 3184 of 4096 (3,0,0,3,1,0) R0E-M0-N14-J03
Task 3185 of 4096 (3,0,0,3,1,1) R0E-M0-N14-J03
Task 3186 of 4096 (3,0,0,3,1,2) R0E-M0-N14-J03
Task 3187 of 4096 (3,0,0,3,1,3) R0E-M0-N14-J03
Task 3188 of 4096 (3,0,0,3,1,4) R0E-M0-N14-J03
Task 3189 of 4096 (3,0,0,3,1,5) R0E-M0-N14-J03
Task 3190 of 4096 (3,0,0,3,1,6) R0E-M0-N14-J03
Task 3191 of 4096 (3,0,0,3,1,7) R0E-M0-N14-J03
Task 3192 of 4096 (3,0,0,3,1,8) R0E-M0-N14-J03
Task 3193 of 4096 (3,0,0,3,1,9) R0E-M0-N14-J03
Task 3194 of 4096 (3,0,0,3,1,10) R0E-M0-N14-J03
Task 3195 of 4096 (3,0,0,3,1,11) R0E-M0-N14-J03
Task 3196 of 4096 (3,0,0,3,1,12) R0E-M0-N14-J03
Task 3197 of 4096 (3,0,0,3,1,13) R0E-M0-N14-J03
Task 3198 of 4096 (3,0,0,3,1,14) R0E-M0-N14-J03
Task 3199 of 4096 (3,0,0,3,1,15) R0E-M0-N14-J03
Task 3200 of 4096 (3,0,1,0,0,0) R0E-M0-N12-J05
Task 3201 of 4096 (3,0,1,0,0,1) R0E-M0-N12-J05
Task 3202 of 4096 (3,0,1,0,0,2) R0E-M0-N12-J05
Task 3203 of 4096 (3,0,1,0,0,3) R0E-M0-N12-J05
Task 3204 of 4096 (3,0,1,0,0,4) R0E-M0-N12-J05
Task 3205 of 4096 (3,0,1,0,0,5) R0E-M0-N12-J05
Task 3206 of 4096 (3,0,1,0,0,6) R0E-M0-N12-J05
Task 3207 of 4096 (3,0,1,0,0,7) R0E-M0-N12-J05
Task 3208 of 4096 (3,0,1,0,0,8) R0E-M0-N12-J05
Task 3209 of 4096 (3,0,1,0,0,9) R0E-M0-N12-J05
Task 3210 of 4096 (3,0,1,0,0,10) R0E-M0-N12-J05
Task 3211 of 4096 (3,0,1,0,0,11) R0E-M0-N12-J05
Task 3212 of 4096 (3,0,1,0,0,12) R0E-M0-N12-J05
Task 3213 of 4096 (3,0,1,0,0,13) R0E-M0-N12-J05
Task 3214 of 4096 (3,0,1,0,0,14) R0E-M0-N12-J05
Task 3215 of 4096 (3,0,1,0,0,15) R0E-M0-N12-J05
Task 3216 of 4096 (3,0,1,0,1,0) R0E-M0-N12-J02
Task 3217 of 4096 (3,0,1,0,1,1) R0E-M0-N12-J02
Task 3218 of 4096 (3,0,1,0,1,2) R0E-M0-N12-J02
Task 3219 of 4096 (3,0,1,0,1,3) R0E-M0-N12-J02
Task 3220 of 4096 (3,0,1,0,1,4) R0E-M0-N12-J02
Task 3221 of 4096 (3,0,1,0,1,5) R0E-M0-N12-J02
Task 3222 of 4096 (3,0,1,0,1,6) R0E-M0-N12-J02
Task 3223 of 4096 (3,0,1,0,1,7) R0E-M0-N12-J02
Task 3224 of 4096 (3,0,1,0,1,8) R0E-M0-N12-J02
Task 3225 of 4096 (3,0,1,0,1,9) R0E-M0-N12-J02
Task 3226 of 4096 (3,0,1,0,1,10) R0E-M0-N12-J02
Task 3227 of 4096 (3,0,1,0,1,11) R0E-M0-N12-J02
Task 3228 of 4096 (3,0,1,0,1,12) R0E-M0-N12-J02
Task 3229 of 4096 (3,0,1,0,1,13) R0E-M0-N12-J02
Task 3230 of 4096 (3,0,1,0,1,14) R0E-M0-N12-J02
Task 3231 of 4096 (3,0,1,0,1,15) R0E-M0-N12-J02
Task 3232 of 4096 (3,0,1,1,0,0) R0E-M0-N12-J09
Task 3233 of 4096 (3,0,1,1,0,1) R0E-M0-N12-J09
Task 3234 of 4096 (3,0,1,1,0,2) R0E-M0-N12-J09
Task 3235 of 4096 (3,0,1,1,0,3) R0E-M0-N12-J09
Task 3236 of 4096 (3,0,1,1,0,4) R0E-M0-N12-J09
Task 3237 of 4096 (3,0,1,1,0,5) R0E-M0-N12-J09
Task 3238 of 4096 (3,0,1,1,0,6) R0E-M0-N12-J09
Task 3239 of 4096 (3,0,1,1,0,7) R0E-M0-N12-J09
Task 3240 of 4096 (3,0,1,1,0,8) R0E-M0-N12-J09
Task 3241 of 4096 (3,0,1,1,0,9) R0E-M0-N12-J09
Task 3242 of 4096 (3,0,1,1,0,10) R0E-M0-N12-J09
Task 3243 of 4096 (3,0,1,1,0,11) R0E-M0-N12-J09
Task 3244 of 4096 (3,0,1,1,0,12) R0E-M0-N12-J09
Task 3245 of 4096 (3,0,1,1,0,13) R0E-M0-N12-J09
Task 3246 of 4096 (3,0,1,1,0,14) R0E-M0-N12-J09
Task 3247 of 4096 (3,0,1,1,0,15) R0E-M0-N12-J09
Task 3248 of 4096 (3,0,1,1,1,0) R0E-M0-N12-J14
Task 3249 of 4096 (3,0,1,1,1,1) R0E-M0-N12-J14
Task 3250 of 4096 (3,0,1,1,1,2) R0E-M0-N12-J14
Task 3251 of 4096 (3,0,1,1,1,3) R0E-M0-N12-J14
Task 3252 of 4096 (3,0,1,1,1,4) R0E-M0-N12-J14
Task 3253 of 4096 (3,0,1,1,1,5) R0E-M0-N12-J14
Task 3254 of 4096 (3,0,1,1,1,6) R0E-M0-N12-J14
Task 3255 of 4096 (3,0,1,1,1,7) R0E-M0-N12-J14
Task 3256 of 4096 (3,0,1,1,1,8) R0E-M0-N12-J14
Task 3257 of 4096 (3,0,1,1,1,9) R0E-M0-N12-J14
Task 3258 of 4096 (3,0,1,1,1,10) R0E-M0-N12-J14
Task 3259 of 4096 (3,0,1,1,1,11) R0E-M0-N12-J14
Task 3260 of 4096 (3,0,1,1,1,12) R0E-M0-N12-J14
Task 3261 of 4096 (3,0,1,1,1,13) R0E-M0-N12-J14
Task 3262 of 4096 (3,0,1,1,1,14) R0E-M0-N12-J14
Task 3263 of 4096 (3,0,1,1,1,15) R0E-M0-N12-J14
Task 3264 of 4096 (3,0,1,2,0,0) R0E-M0-N14-J09
Task 3265 of 4096 (3,0,1,2,0,1) R0E-M0-N14-J09
Task 3266 of 4096 (3,0,1,2,0,2) R0E-M0-N14-J09
Task 3267 of 4096 (3,0,1,2,0,3) R0E-M0-N14-J09
Task 3268 of 4096 (3,0,1,2,0,4) R0E-M0-N14-J09
Task 3269 of 4096 (3,0,1,2,0,5) R0E-M0-N14-J09
Task 3270 of 4096 (3,0,1,2,0,6) R0E-M0-N14-J09
Task 3271 of 4096 (3,0,1,2,0,7) R0E-M0-N14-J09
Task 3272 of 4096 (3,0,1,2,0,8) R0E-M0-N14-J09
Task 3273 of 4096 (3,0,1,2,0,9) R0E-M0-N14-J09
Task 3274 of 4096 (3,0,1,2,0,10) R0E-M0-N14-J09
Task 3275 of 4096 (3,0,1,2,0,11) R0E-M0-N14-J09
Task 3276 of 4096 (3,0,1,2,0,12) R0E-M0-N14-J09
Task 3277 of 4096 (3,0,1,2,0,13) R0E-M0-N14-J09
Task 3278 of 4096 (3,0,1,2,0,14) R0E-M0-N14-J09
Task 3279 of 4096 (3,0,1,2,0,15) R0E-M0-N14-J09
Task 3280 of 4096 (3,0,1,2,1,0) R0E-M0-N14-J14
Task 3281 of 4096 (3,0,1,2,1,1) R0E-M0-N14-J14
Task 3282 of 4096 (3,0,1,2,1,2) R0E-M0-N14-J14
Task 3283 of 4096 (3,0,1,2,1,3) R0E-M0-N14-J14
Task 3284 of 4096 (3,0,1,2,1,4) R0E-M0-N14-J14
Task 3285 of 4096 (3,0,1,2,1,5) R0E-M0-N14-J14
Task 3286 of 4096 (3,0,1,2,1,6) R0E-M0-N14-J14
Task 3287 of 4096 (3,0,1,2,1,7) R0E-M0-N14-J14
Task 3288 of 4096 (3,0,1,2,1,8) R0E-M0-N14-J14
Task 3289 of 4096 (3,0,1,2,1,9) R0E-M0-N14-J14
Task 3290 of 4096 (3,0,1,2,1,10) R0E-M0-N14-J14
Task 3291 of 4096 (3,0,1,2,1,11) R0E-M0-N14-J14
Task 3292 of 4096 (3,0,1,2,1,12) R0E-M0-N14-J14
Task 3293 of 4096 (3,0,1,2,1,13) R0E-M0-N14-J14
Task 3294 of 4096 (3,0,1,2,1,14) R0E-M0-N14-J14
Task 3295 of 4096 (3,0,1,2,1,15) R0E-M0-N14-J14
Task 3296 of 4096 (3,0,1,3,0,0) R0E-M0-N14-J05
Task 3297 of 4096 (3,0,1,3,0,1) R0E-M0-N14-J05
Task 3298 of 4096 (3,0,1,3,0,2) R0E-M0-N14-J05
Task 3299 of 4096 (3,0,1,3,0,3) R0E-M0-N14-J05
Task 3300 of 4096 (3,0,1,3,0,4) R0E-M0-N14-J05
Task 3301 of 4096 (3,0,1,3,0,5) R0E-M0-N14-J05
Task 3302 of 4096 (3,0,1,3,0,6) R0E-M0-N14-J05
Task 3303 of 4096 (3,0,1,3,0,7) R0E-M0-N14-J05
Task 3304 of 4096 (3,0,1,3,0,8) R0E-M0-N14-J05
Task 3305 of 4096 (3,0,1,3,0,9) R0E-M0-N14-J05
Task 3306 of 4096 (3,0,1,3,0,10) R0E-M0-N14-J05
Task 3307 of 4096 (3,0,1,3,0,11) R0E-M0-N14-J05
Task 3308 of 4096 (3,0,1,3,0,12) R0E-M0-N14-J05
Task 3309 of 4096 (3,0,1,3,0,13) R0E-M0-N14-J05
Task 3310 of 4096 (3,0,1,3,0,14) R0E-M0-N14-J05
Task 3311 of 4096 (3,0,1,3,0,15) R0E-M0-N14-J05
Task 3312 of 4096 (3,0,1,3,1,0) R0E-M0-N14-J02
Task 3313 of 4096 (3,0,1,3,1,1) R0E-M0-N14-J02
Task 3314 of 4096 (3,0,1,3,1,2) R0E-M0-N14-J02
Task 3315 of 4096 (3,0,1,3,1,3) R0E-M0-N14-J02
Task 3316 of 4096 (3,0,1,3,1,4) R0E-M0-N14-J02
Task 3317 of 4096 (3,0,1,3,1,5) R0E-M0-N14-J02
Task 3318 of 4096 (3,0,1,3,1,6) R0E-M0-N14-J02
Task 3319 of 4096 (3,0,1,3,1,7) R0E-M0-N14-J02
Task 3320 of 4096 (3,0,1,3,1,8) R0E-M0-N14-J02
Task 3321 of 4096 (3,0,1,3,1,9) R0E-M0-N14-J02
Task 3322 of 4096 (3,0,1,3,1,10) R0E-M0-N14-J02
Task 3323 of 4096 (3,0,1,3,1,11) R0E-M0-N14-J02
Task 3324 of 4096 (3,0,1,3,1,12) R0E-M0-N14-J02
Task 3325 of 4096 (3,0,1,3,1,13) R0E-M0-N14-J02
Task 3326 of 4096 (3,0,1,3,1,14) R0E-M0-N14-J02
Task 3327 of 4096 (3,0,1,3,1,15) R0E-M0-N14-J02
Task 3328 of 4096 (3,0,2,0,0,0) R0E-M0-N13-J05
Task 3329 of 4096 (3,0,2,0,0,1) R0E-M0-N13-J05
Task 3330 of 4096 (3,0,2,0,0,2) R0E-M0-N13-J05
Task 3331 of 4096 (3,0,2,0,0,3) R0E-M0-N13-J05
Task 3332 of 4096 (3,0,2,0,0,4) R0E-M0-N13-J05
Task 3333 of 4096 (3,0,2,0,0,5) R0E-M0-N13-J05
Task 3334 of 4096 (3,0,2,0,0,6) R0E-M0-N13-J05
Task 3335 of 4096 (3,0,2,0,0,7) R0E-M0-N13-J05
Task 3336 of 4096 (3,0,2,0,0,8) R0E-M0-N13-J05
Task 3337 of 4096 (3,0,2,0,0,9) R0E-M0-N13-J05
Task 3338 of 4096 (3,0,2,0,0,10) R0E-M0-N13-J05
Task 3339 of 4096 (3,0,2,0,0,11) R0E-M0-N13-J05
Task 3340 of 4096 (3,0,2,0,0,12) R0E-M0-N13-J05
Task 3341 of 4096 (3,0,2,0,0,13) R0E-M0-N13-J05
Task 3342 of 4096 (3,0,2,0,0,14) R0E-M0-N13-J05
Task 3343 of 4096 (3,0,2,0,0,15) R0E-M0-N13-J05
Task 3344 of 4096 (3,0,2,0,1,0) R0E-M0-N13-J02
Task 3345 of 4096 (3,0,2,0,1,1) R0E-M0-N13-J02
Task 3346 of 4096 (3,0,2,0,1,2) R0E-M0-N13-J02
Task 3347 of 4096 (3,0,2,0,1,3) R0E-M0-N13-J02
Task 3348 of 4096 (3,0,2,0,1,4) R0E-M0-N13-J02
Task 3349 of 4096 (3,0,2,0,1,5) R0E-M0-N13-J02
Task 3350 of 4096 (3,0,2,0,1,6) R0E-M0-N13-J02
Task 3351 of 4096 (3,0,2,0,1,7) R0E-M0-N13-J02
Task 3352 of 4096 (3,0,2,0,1,8) R0E-M0-N13-J02
Task 3353 of 4096 (3,0,2,0,1,9) R0E-M0-N13-J02
Task 3354 of 4096 (3,0,2,0,1,10) R0E-M0-N13-J02
Task 3355 of 4096 (3,0,2,0,1,11) R0E-M0-N13-J02
Task 3356 of 4096 (3,0,2,0,1,12) R0E-M0-N13-J02
Task 3357 of 4096 (3,0,2,0,1,13) R0E-M0-N13-J02
Task 3358 of 4096 (3,0,2,0,1,14) R0E-M0-N13-J02
Task 3359 of 4096 (3,0,2,0,1,15) R0E-M0-N13-J02
Task 3360 of 4096 (3,0,2,1,0,0) R0E-M0-N13-J09
Task 3361 of 4096 (3,0,2,1,0,1) R0E-M0-N13-J09
Task 3362 of 4096 (3,0,2,1,0,2) R0E-M0-N13-J09
Task 3363 of 4096 (3,0,2,1,0,3) R0E-M0-N13-J09
Task 3364 of 4096 (3,0,2,1,0,4) R0E-M0-N13-J09
Task 3365 of 4096 (3,0,2,1,0,5) R0E-M0-N13-J09
Task 3366 of 4096 (3,0,2,1,0,6) R0E-M0-N13-J09
Task 3367 of 4096 (3,0,2,1,0,7) R0E-M0-N13-J09
Task 3368 of 4096 (3,0,2,1,0,8) R0E-M0-N13-J09
Task 3369 of 4096 (3,0,2,1,0,9) R0E-M0-N13-J09
Task 3370 of 4096 (3,0,2,1,0,10) R0E-M0-N13-J09
Task 3371 of 4096 (3,0,2,1,0,11) R0E-M0-N13-J09
Task 3372 of 4096 (3,0,2,1,0,12) R0E-M0-N13-J09
Task 3373 of 4096 (3,0,2,1,0,13) R0E-M0-N13-J09
Task 3374 of 4096 (3,0,2,1,0,14) R0E-M0-N13-J09
Task 3375 of 4096 (3,0,2,1,0,15) R0E-M0-N13-J09
Task 3376 of 4096 (3,0,2,1,1,0) R0E-M0-N13-J14
Task 3377 of 4096 (3,0,2,1,1,1) R0E-M0-N13-J14
Task 3378 of 4096 (3,0,2,1,1,2) R0E-M0-N13-J14
Task 3379 of 4096 (3,0,2,1,1,3) R0E-M0-N13-J14
Task 3380 of 4096 (3,0,2,1,1,4) R0E-M0-N13-J14
Task 3381 of 4096 (3,0,2,1,1,5) R0E-M0-N13-J14
Task 3382 of 4096 (3,0,2,1,1,6) R0E-M0-N13-J14
Task 3383 of 4096 (3,0,2,1,1,7) R0E-M0-N13-J14
Task 3384 of 4096 (3,0,2,1,1,8) R0E-M0-N13-J14
Task 3385 of 4096 (3,0,2,1,1,9) R0E-M0-N13-J14
Task 3386 of 4096 (3,0,2,1,1,10) R0E-M0-N13-J14
Task 3387 of 4096 (3,0,2,1,1,11) R0E-M0-N13-J14
Task 3388 of 4096 (3,0,2,1,1,12) R0E-M0-N13-J14
Task 3389 of 4096 (3,0,2,1,1,13) R0E-M0-N13-J14
Task 3390 of 4096 (3,0,2,1,1,14) R0E-M0-N13-J14
Task 3391 of 4096 (3,0,2,1,1,15) R0E-M0-N13-J14
Task 3392 of 4096 (3,0,2,2,0,0) R0E-M0-N15-J09
Task 3393 of 4096 (3,0,2,2,0,1) R0E-M0-N15-J09
Task 3394 of 4096 (3,0,2,2,0,2) R0E-M0-N15-J09
Task 3395 of 4096 (3,0,2,2,0,3) R0E-M0-N15-J09
Task 3396 of 4096 (3,0,2,2,0,4) R0E-M0-N15-J09
Task 3397 of 4096 (3,0,2,2,0,5) R0E-M0-N15-J09
Task 3398 of 4096 (3,0,2,2,0,6) R0E-M0-N15-J09
Task 3399 of 4096 (3,0,2,2,0,7) R0E-M0-N15-J09
Task 3400 of 4096 (3,0,2,2,0,8) R0E-M0-N15-J09
Task 3401 of 4096 (3,0,2,2,0,9) R0E-M0-N15-J09
Task 3402 of 4096 (3,0,2,2,0,10) R0E-M0-N15-J09
Task 3403 of 4096 (3,0,2,2,0,11) R0E-M0-N15-J09
Task 3404 of 4096 (3,0,2,2,0,12) R0E-M0-N15-J09
Task 3405 of 4096 (3,0,2,2,0,13) R0E-M0-N15-J09
Task 3406 of 4096 (3,0,2,2,0,14) R0E-M0-N15-J09
Task 3407 of 4096 (3,0,2,2,0,15) R0E-M0-N15-J09
Task 3408 of 4096 (3,0,2,2,1,0) R0E-M0-N15-J14
Task 3409 of 4096 (3,0,2,2,1,1) R0E-M0-N15-J14
Task 3410 of 4096 (3,0,2,2,1,2) R0E-M0-N15-J14
Task 3411 of 4096 (3,0,2,2,1,3) R0E-M0-N15-J14
Task 3412 of 4096 (3,0,2,2,1,4) R0E-M0-N15-J14
Task 3413 of 4096 (3,0,2,2,1,5) R0E-M0-N15-J14
Task 3414 of 4096 (3,0,2,2,1,6) R0E-M0-N15-J14
Task 3415 of 4096 (3,0,2,2,1,7) R0E-M0-N15-J14
Task 3416 of 4096 (3,0,2,2,1,8) R0E-M0-N15-J14
Task 3417 of 4096 (3,0,2,2,1,9) R0E-M0-N15-J14
Task 3418 of 4096 (3,0,2,2,1,10) R0E-M0-N15-J14
Task 3419 of 4096 (3,0,2,2,1,11) R0E-M0-N15-J14
Task 3420 of 4096 (3,0,2,2,1,12) R0E-M0-N15-J14
Task 3421 of 4096 (3,0,2,2,1,13) R0E-M0-N15-J14
Task 3422 of 4096 (3,0,2,2,1,14) R0E-M0-N15-J14
Task 3423 of 4096 (3,0,2,2,1,15) R0E-M0-N15-J14
Task 3424 of 4096 (3,0,2,3,0,0) R0E-M0-N15-J05
Task 3425 of 4096 (3,0,2,3,0,1) R0E-M0-N15-J05
Task 3426 of 4096 (3,0,2,3,0,2) R0E-M0-N15-J05
Task 3427 of 4096 (3,0,2,3,0,3) R0E-M0-N15-J05
Task 3428 of 4096 (3,0,2,3,0,4) R0E-M0-N15-J05
Task 3429 of 4096 (3,0,2,3,0,5) R0E-M0-N15-J05
Task 3430 of 4096 (3,0,2,3,0,6) R0E-M0-N15-J05
Task 3431 of 4096 (3,0,2,3,0,7) R0E-M0-N15-J05
Task 3432 of 4096 (3,0,2,3,0,8) R0E-M0-N15-J05
Task 3433 of 4096 (3,0,2,3,0,9) R0E-M0-N15-J05
Task 3434 of 4096 (3,0,2,3,0,10) R0E-M0-N15-J05
Task 3435 of 4096 (3,0,2,3,0,11) R0E-M0-N15-J05
Task 3436 of 4096 (3,0,2,3,0,12) R0E-M0-N15-J05
Task 3437 of 4096 (3,0,2,3,0,13) R0E-M0-N15-J05
Task 3438 of 4096 (3,0,2,3,0,14) R0E-M0-N15-J05
Task 3439 of 4096 (3,0,2,3,0,15) R0E-M0-N15-J05
Task 3440 of 4096 (3,0,2,3,1,0) R0E-M0-N15-J02
Task 3441 of 4096 (3,0,2,3,1,1) R0E-M0-N15-J02
Task 3442 of 4096 (3,0,2,3,1,2) R0E-M0-N15-J02
Task 3443 of 4096 (3,0,2,3,1,3) R0E-M0-N15-J02
Task 3444 of 4096 (3,0,2,3,1,4) R0E-M0-N15-J02
Task 3445 of 4096 (3,0,2,3,1,5) R0E-M0-N15-J02
Task 3446 of 4096 (3,0,2,3,1,6) R0E-M0-N15-J02
Task 3447 of 4096 (3,0,2,3,1,7) R0E-M0-N15-J02
Task 3448 of 4096 (3,0,2,3,1,8) R0E-M0-N15-J02
Task 3449 of 4096 (3,0,2,3,1,9) R0E-M0-N15-J02
Task 3450 of 4096 (3,0,2,3,1,10) R0E-M0-N15-J02
Task 3451 of 4096 (3,0,2,3,1,11) R0E-M0-N15-J02
Task 3452 of 4096 (3,0,2,3,1,12) R0E-M0-N15-J02
Task 3453 of 4096 (3,0,2,3,1,13) R0E-M0-N15-J02
Task 3454 of 4096 (3,0,2,3,1,14) R0E-M0-N15-J02
Task 3455 of 4096 (3,0,2,3,1,15) R0E-M0-N15-J02
Task 3456 of 4096 (3,0,3,0,0,0) R0E-M0-N13-J04
Task 3457 of 4096 (3,0,3,0,0,1) R0E-M0-N13-J04
Task 3458 of 4096 (3,0,3,0,0,2) R0E-M0-N13-J04
Task 3459 of 4096 (3,0,3,0,0,3) R0E-M0-N13-J04
Task 3460 of 4096 (3,0,3,0,0,4) R0E-M0-N13-J04
Task 3461 of 4096 (3,0,3,0,0,5) R0E-M0-N13-J04
Task 3462 of 4096 (3,0,3,0,0,6) R0E-M0-N13-J04
Task 3463 of 4096 (3,0,3,0,0,7) R0E-M0-N13-J04
Task 3464 of 4096 (3,0,3,0,0,8) R0E-M0-N13-J04
Task 3465 of 4096 (3,0,3,0,0,9) R0E-M0-N13-J04
Task 3466 of 4096 (3,0,3,0,0,10) R0E-M0-N13-J04
Task 3467 of 4096 (3,0,3,0,0,11) R0E-M0-N13-J04
Task 3468 of 4096 (3,0,3,0,0,12) R0E-M0-N13-J04
Task 3469 of 4096 (3,0,3,0,0,13) R0E-M0-N13-J04
Task 3470 of 4096 (3,0,3,0,0,14) R0E-M0-N13-J04
Task 3471 of 4096 (3,0,3,0,0,15) R0E-M0-N13-J04
Task 3472 of 4096 (3,0,3,0,1,0) R0E-M0-N13-J03
Task 3473 of 4096 (3,0,3,0,1,1) R0E-M0-N13-J03
Task 3474 of 4096 (3,0,3,0,1,2) R0E-M0-N13-J03
Task 3475 of 4096 (3,0,3,0,1,3) R0E-M0-N13-J03
Task 3476 of 4096 (3,0,3,0,1,4) R0E-M0-N13-J03
Task 3477 of 4096 (3,0,3,0,1,5) R0E-M0-N13-J03
Task 3478 of 4096 (3,0,3,0,1,6) R0E-M0-N13-J03
Task 3479 of 4096 (3,0,3,0,1,7) R0E-M0-N13-J03
Task 3480 of 4096 (3,0,3,0,1,8) R0E-M0-N13-J03
Task 3481 of 4096 (3,0,3,0,1,9) R0E-M0-N13-J03
Task 3482 of 4096 (3,0,3,0,1,10) R0E-M0-N13-J03
Task 3483 of 4096 (3,0,3,0,1,11) R0E-M0-N13-J03
Task 3484 of 4096 (3,0,3,0,1,12) R0E-M0-N13-J03
Task 3485 of 4096 (3,0,3,0,1,13) R0E-M0-N13-J03
Task 3486 of 4096 (3,0,3,0,1,14) R0E-M0-N13-J03
Task 3487 of 4096 (3,0,3,0,1,15) R0E-M0-N13-J03
Task 3488 of 4096 (3,0,3,1,0,0) R0E-M0-N13-J08
Task 3489 of 4096 (3,0,3,1,0,1) R0E-M0-N13-J08
Task 3490 of 4096 (3,0,3,1,0,2) R0E-M0-N13-J08
Task 3491 of 4096 (3,0,3,1,0,3) R0E-M0-N13-J08
Task 3492 of 4096 (3,0,3,1,0,4) R0E-M0-N13-J08
Task 3493 of 4096 (3,0,3,1,0,5) R0E-M0-N13-J08
Task 3494 of 4096 (3,0,3,1,0,6) R0E-M0-N13-J08
Task 3495 of 4096 (3,0,3,1,0,7) R0E-M0-N13-J08
Task 3496 of 4096 (3,0,3,1,0,8) R0E-M0-N13-J08
Task 3497 of 4096 (3,0,3,1,0,9) R0E-M0-N13-J08
Task 3498 of 4096 (3,0,3,1,0,10) R0E-M0-N13-J08
Task 3499 of 4096 (3,0,3,1,0,11) R0E-M0-N13-J08
Task 3500 of 4096 (3,0,3,1,0,12) R0E-M0-N13-J08
Task 3501 of 4096 (3,0,3,1,0,13) R0E-M0-N13-J08
Task 3502 of 4096 (3,0,3,1,0,14) R0E-M0-N13-J08
Task 3503 of 4096 (3,0,3,1,0,15) R0E-M0-N13-J08
Task 3504 of 4096 (3,0,3,1,1,0) R0E-M0-N13-J15
Task 3505 of 4096 (3,0,3,1,1,1) R0E-M0-N13-J15
Task 3506 of 4096 (3,0,3,1,1,2) R0E-M0-N13-J15
Task 3507 of 4096 (3,0,3,1,1,3) R0E-M0-N13-J15
Task 3508 of 4096 (3,0,3,1,1,4) R0E-M0-N13-J15
Task 3509 of 4096 (3,0,3,1,1,5) R0E-M0-N13-J15
Task 3510 of 4096 (3,0,3,1,1,6) R0E-M0-N13-J15
Task 3511 of 4096 (3,0,3,1,1,7) R0E-M0-N13-J15
Task 3512 of 4096 (3,0,3,1,1,8) R0E-M0-N13-J15
Task 3513 of 4096 (3,0,3,1,1,9) R0E-M0-N13-J15
Task 3514 of 4096 (3,0,3,1,1,10) R0E-M0-N13-J15
Task 3515 of 4096 (3,0,3,1,1,11) R0E-M0-N13-J15
Task 3516 of 4096 (3,0,3,1,1,12) R0E-M0-N13-J15
Task 3517 of 4096 (3,0,3,1,1,13) R0E-M0-N13-J15
Task 3518 of 4096 (3,0,3,1,1,14) R0E-M0-N13-J15
Task 3519 of 4096 (3,0,3,1,1,15) R0E-M0-N13-J15
Task 3520 of 4096 (3,0,3,2,0,0) R0E-M0-N15-J08
Task 3521 of 4096 (3,0,3,2,0,1) R0E-M0-N15-J08
Task 3522 of 4096 (3,0,3,2,0,2) R0E-M0-N15-J08
Task 3523 of 4096 (3,0,3,2,0,3) R0E-M0-N15-J08
Task 3524 of 4096 (3,0,3,2,0,4) R0E-M0-N15-J08
Task 3525 of 4096 (3,0,3,2,0,5) R0E-M0-N15-J08
Task 3526 of 4096 (3,0,3,2,0,6) R0E-M0-N15-J08
Task 3527 of 4096 (3,0,3,2,0,7) R0E-M0-N15-J08
Task 3528 of 4096 (3,0,3,2,0,8) R0E-M0-N15-J08
Task 3529 of 4096 (3,0,3,2,0,9) R0E-M0-N15-J08
Task 3530 of 4096 (3,0,3,2,0,10) R0E-M0-N15-J08
Task 3531 of 4096 (3,0,3,2,0,11) R0E-M0-N15-J08
Task 3532 of 4096 (3,0,3,2,0,12) R0E-M0-N15-J08
Task 3533 of 4096 (3,0,3,2,0,13) R0E-M0-N15-J08
Task 3534 of 4096 (3,0,3,2,0,14) R0E-M0-N15-J08
Task 3535 of 4096 (3,0,3,2,0,15) R0E-M0-N15-J08
Task 3536 of 4096 (3,0,3,2,1,0) R0E-M0-N15-J15
Task 3537 of 4096 (3,0,3,2,1,1) R0E-M0-N15-J15
Task 3538 of 4096 (3,0,3,2,1,2) R0E-M0-N15-J15
Task 3539 of 4096 (3,0,3,2,1,3) R0E-M0-N15-J15
Task 3540 of 4096 (3,0,3,2,1,4) R0E-M0-N15-J15
Task 3541 of 4096 (3,0,3,2,1,5) R0E-M0-N15-J15
Task 3542 of 4096 (3,0,3,2,1,6) R0E-M0-N15-J15
Task 3543 of 4096 (3,0,3,2,1,7) R0E-M0-N15-J15
Task 3544 of 4096 (3,0,3,2,1,8) R0E-M0-N15-J15
Task 3545 of 4096 (3,0,3,2,1,9) R0E-M0-N15-J15
Task 3546 of 4096 (3,0,3,2,1,10) R0E-M0-N15-J15
Task 3547 of 4096 (3,0,3,2,1,11) R0E-M0-N15-J15
Task 3548 of 4096 (3,0,3,2,1,12) R0E-M0-N15-J15
Task 3549 of 4096 (3,0,3,2,1,13) R0E-M0-N15-J15
Task 3550 of 4096 (3,0,3,2,1,14) R0E-M0-N15-J15
Task 3551 of 4096 (3,0,3,2,1,15) R0E-M0-N15-J15
Task 3552 of 4096 (3,0,3,3,0,0) R0E-M0-N15-J04
Task 3553 of 4096 (3,0,3,3,0,1) R0E-M0-N15-J04
Task 3554 of 4096 (3,0,3,3,0,2) R0E-M0-N15-J04
Task 3555 of 4096 (3,0,3,3,0,3) R0E-M0-N15-J04
Task 3556 of 4096 (3,0,3,3,0,4) R0E-M0-N15-J04
Task 3557 of 4096 (3,0,3,3,0,5) R0E-M0-N15-J04
Task 3558 of 4096 (3,0,3,3,0,6) R0E-M0-N15-J04
Task 3559 of 4096 (3,0,3,3,0,7) R0E-M0-N15-J04
Task 3560 of 4096 (3,0,3,3,0,8) R0E-M0-N15-J04
Task 3561 of 4096 (3,0,3,3,0,9) R0E-M0-N15-J04
Task 3562 of 4096 (3,0,3,3,0,10) R0E-M0-N15-J04
Task 3563 of 4096 (3,0,3,3,0,11) R0E-M0-N15-J04
Task 3564 of 4096 (3,0,3,3,0,12) R0E-M0-N15-J04
Task 3565 of 4096 (3,0,3,3,0,13) R0E-M0-N15-J04
Task 3566 of 4096 (3,0,3,3,0,14) R0E-M0-N15-J04
Task 3567 of 4096 (3,0,3,3,0,15) R0E-M0-N15-J04
Task 3568 of 4096 (3,0,3,3,1,0) R0E-M0-N15-J03
Task 3569 of 4096 (3,0,3,3,1,1) R0E-M0-N15-J03
Task 3570 of 4096 (3,0,3,3,1,2) R0E-M0-N15-J03
Task 3571 of 4096 (3,0,3,3,1,3) R0E-M0-N15-J03
Task 3572 of 4096 (3,0,3,3,1,4) R0E-M0-N15-J03
Task 3573 of 4096 (3,0,3,3,1,5) R0E-M0-N15-J03
Task 3574 of 4096 (3,0,3,3,1,6) R0E-M0-N15-J03
Task 3575 of 4096 (3,0,3,3,1,7) R0E-M0-N15-J03
Task 3576 of 4096 (3,0,3,3,1,8) R0E-M0-N15-J03
Task 3577 of 4096 (3,0,3,3,1,9) R0E-M0-N15-J03
Task 3578 of 4096 (3,0,3,3,1,10) R0E-M0-N15-J03
Task 3579 of 4096 (3,0,3,3,1,11) R0E-M0-N15-J03
Task 3580 of 4096 (3,0,3,3,1,12) R0E-M0-N15-J03
Task 3581 of 4096 (3,0,3,3,1,13) R0E-M0-N15-J03
Task 3582 of 4096 (3,0,3,3,1,14) R0E-M0-N15-J03
Task 3583 of 4096 (3,0,3,3,1,15) R0E-M0-N15-J03
Task 3584 of 4096 (3,1,0,0,0,0) R0E-M0-N12-J07
Task 3585 of 4096 (3,1,0,0,0,1) R0E-M0-N12-J07
Task 3586 of 4096 (3,1,0,0,0,2) R0E-M0-N12-J07
Task 3587 of 4096 (3,1,0,0,0,3) R0E-M0-N12-J07
Task 3588 of 4096 (3,1,0,0,0,4) R0E-M0-N12-J07
Task 3589 of 4096 (3,1,0,0,0,5) R0E-M0-N12-J07
Task 3590 of 4096 (3,1,0,0,0,6) R0E-M0-N12-J07
Task 3591 of 4096 (3,1,0,0,0,7) R0E-M0-N12-J07
Task 3592 of 4096 (3,1,0,0,0,8) R0E-M0-N12-J07
Task 3593 of 4096 (3,1,0,0,0,9) R0E-M0-N12-J07
Task 3594 of 4096 (3,1,0,0,0,10) R0E-M0-N12-J07
Task 3595 of 4096 (3,1,0,0,0,11) R0E-M0-N12-J07
Task 3596 of 4096 (3,1,0,0,0,12) R0E-M0-N12-J07
Task 3597 of 4096 (3,1,0,0,0,13) R0E-M0-N12-J07
Task 3598 of 4096 (3,1,0,0,0,14) R0E-M0-N12-J07
Task 3599 of 4096 (3,1,0,0,0,15) R0E-M0-N12-J07
Task 3600 of 4096 (3,1,0,0,1,0) R0E-M0-N12-J00
Task 3601 of 4096 (3,1,0,0,1,1) R0E-M0-N12-J00
Task 3602 of 4096 (3,1,0,0,1,2) R0E-M0-N12-J00
Task 3603 of 4096 (3,1,0,0,1,3) R0E-M0-N12-J00
Task 3604 of 4096 (3,1,0,0,1,4) R0E-M0-N12-J00
Task 3605 of 4096 (3,1,0,0,1,5) R0E-M0-N12-J00
Task 3606 of 4096 (3,1,0,0,1,6) R0E-M0-N12-J00
Task 3607 of 4096 (3,1,0,0,1,7) R0E-M0-N12-J00
Task 3608 of 4096 (3,1,0,0,1,8) R0E-M0-N12-J00
Task 3609 of 4096 (3,1,0,0,1,9) R0E-M0-N12-J00
Task 3610 of 4096 (3,1,0,0,1,10) R0E-M0-N12-J00
Task 3611 of 4096 (3,1,0,0,1,11) R0E-M0-N12-J00
Task 3612 of 4096 (3,1,0,0,1,12) R0E-M0-N12-J00
Task 3613 of 4096 (3,1,0,0,1,13) R0E-M0-N12-J00
Task 3614 of 4096 (3,1,0,0,1,14) R0E-M0-N12-J00
Task 3615 of 4096 (3,1,0,0,1,15) R0E-M0-N12-J00
Task 3616 of 4096 (3,1,0,1,0,0) R0E-M0-N12-J11
Task 3617 of 4096 (3,1,0,1,0,1) R0E-M0-N12-J11
Task 3618 of 4096 (3,1,0,1,0,2) R0E-M0-N12-J11
Task 3619 of 4096 (3,1,0,1,0,3) R0E-M0-N12-J11
Task 3620 of 4096 (3,1,0,1,0,4) R0E-M0-N12-J11
Task 3621 of 4096 (3,1,0,1,0,5) R0E-M0-N12-J11
Task 3622 of 4096 (3,1,0,1,0,6) R0E-M0-N12-J11
Task 3623 of 4096 (3,1,0,1,0,7) R0E-M0-N12-J11
Task 3624 of 4096 (3,1,0,1,0,8) R0E-M0-N12-J11
Task 3625 of 4096 (3,1,0,1,0,9) R0E-M0-N12-J11
Task 3626 of 4096 (3,1,0,1,0,10) R0E-M0-N12-J11
Task 3627 of 4096 (3,1,0,1,0,11) R0E-M0-N12-J11
Task 3628 of 4096 (3,1,0,1,0,12) R0E-M0-N12-J11
Task 3629 of 4096 (3,1,0,1,0,13) R0E-M0-N12-J11
Task 3630 of 4096 (3,1,0,1,0,14) R0E-M0-N12-J11
Task 3631 of 4096 (3,1,0,1,0,15) R0E-M0-N12-J11
Task 3632 of 4096 (3,1,0,1,1,0) R0E-M0-N12-J12
Task 3633 of 4096 (3,1,0,1,1,1) R0E-M0-N12-J12
Task 3634 of 4096 (3,1,0,1,1,2) R0E-M0-N12-J12
Task 3635 of 4096 (3,1,0,1,1,3) R0E-M0-N12-J12
Task 3636 of 4096 (3,1,0,1,1,4) R0E-M0-N12-J12
Task 3637 of 4096 (3,1,0,1,1,5) R0E-M0-N12-J12
Task 3638 of 4096 (3,1,0,1,1,6) R0E-M0-N12-J12
Task 3639 of 4096 (3,1,0,1,1,7) R0E-M0-N12-J12
Task 3640 of 4096 (3,1,0,1,1,8) R0E-M0-N12-J12
Task 3641 of 4096 (3,1,0,1,1,9) R0E-M0-N12-J12
Task 3642 of 4096 (3,1,0,1,1,10) R0E-M0-N12-J12
Task 3643 of 4096 (3,1,0,1,1,11) R0E-M0-N12-J12
Task 3644 of 4096 (3,1,0,1,1,12) R0E-M0-N12-J12
Task 3645 of 4096 (3,1,0,1,1,13) R0E-M0-N12-J12
Task 3646 of 4096 (3,1,0,1,1,14) R0E-M0-N12-J12
Task 3647 of 4096 (3,1,0,1,1,15) R0E-M0-N12-J12
Task 3648 of 4096 (3,1,0,2,0,0) R0E-M0-N14-J11
Task 3649 of 4096 (3,1,0,2,0,1) R0E-M0-N14-J11
Task 3650 of 4096 (3,1,0,2,0,2) R0E-M0-N14-J11
Task 3651 of 4096 (3,1,0,2,0,3) R0E-M0-N14-J11
Task 3652 of 4096 (3,1,0,2,0,4) R0E-M0-N14-J11
Task 3653 of 4096 (3,1,0,2,0,5) R0E-M0-N14-J11
Task 3654 of 4096 (3,1,0,2,0,6) R0E-M0-N14-J11
Task 3655 of 4096 (3,1,0,2,0,7) R0E-M0-N14-J11
Task 3656 of 4096 (3,1,0,2,0,8) R0E-M0-N14-J11
Task 3657 of 4096 (3,1,0,2,0,9) R0E-M0-N14-J11
Task 3658 of 4096 (3,1,0,2,0,10) R0E-M0-N14-J11
Task 3659 of 4096 (3,1,0,2,0,11) R0E-M0-N14-J11
Task 3660 of 4096 (3,1,0,2,0,12) R0E-M0-N14-J11
Task 3661 of 4096 (3,1,0,2,0,13) R0E-M0-N14-J11
Task 3662 of 4096 (3,1,0,2,0,14) R0E-M0-N14-J11
Task 3663 of 4096 (3,1,0,2,0,15) R0E-M0-N14-J11
Task 3664 of 4096 (3,1,0,2,1,0) R0E-M0-N14-J12
Task 3665 of 4096 (3,1,0,2,1,1) R0E-M0-N14-J12
Task 3666 of 4096 (3,1,0,2,1,2) R0E-M0-N14-J12
Task 3667 of 4096 (3,1,0,2,1,3) R0E-M0-N14-J12
Task 3668 of 4096 (3,1,0,2,1,4) R0E-M0-N14-J12
Task 3669 of 4096 (3,1,0,2,1,5) R0E-M0-N14-J12
Task 3670 of 4096 (3,1,0,2,1,6) R0E-M0-N14-J12
Task 3671 of 4096 (3,1,0,2,1,7) R0E-M0-N14-J12
Task 3672 of 4096 (3,1,0,2,1,8) R0E-M0-N14-J12
Task 3673 of 4096 (3,1,0,2,1,9) R0E-M0-N14-J12
Task 3674 of 4096 (3,1,0,2,1,10) R0E-M0-N14-J12
Task 3675 of 4096 (3,1,0,2,1,11) R0E-M0-N14-J12
Task 3676 of 4096 (3,1,0,2,1,12) R0E-M0-N14-J12
Task 3677 of 4096 (3,1,0,2,1,13) R0E-M0-N14-J12
Task 3678 of 4096 (3,1,0,2,1,14) R0E-M0-N14-J12
Task 3679 of 4096 (3,1,0,2,1,15) R0E-M0-N14-J12
Task 3680 of 4096 (3,1,0,3,0,0) R0E-M0-N14-J07
Task 3681 of 4096 (3,1,0,3,0,1) R0E-M0-N14-J07
Task 3682 of 4096 (3,1,0,3,0,2) R0E-M0-N14-J07
Task 3683 of 4096 (3,1,0,3,0,3) R0E-M0-N14-J07
Task 3684 of 4096 (3,1,0,3,0,4) R0E-M0-N14-J07
Task 3685 of 4096 (3,1,0,3,0,5) R0E-M0-N14-J07
Task 3686 of 4096 (3,1,0,3,0,6) R0E-M0-N14-J07
Task 3687 of 4096 (3,1,0,3,0,7) R0E-M0-N14-J07
Task 3688 of 4096 (3,1,0,3,0,8) R0E-M0-N14-J07
Task 3689 of 4096 (3,1,0,3,0,9) R0E-M0-N14-J07
Task 3690 of 4096 (3,1,0,3,0,10) R0E-M0-N14-J07
Task 3691 of 4096 (3,1,0,3,0,11) R0E-M0-N14-J07
Task 3692 of 4096 (3,1,0,3,0,12) R0E-M0-N14-J07
Task 3693 of 4096 (3,1,0,3,0,13) R0E-M0-N14-J07
Task 3694 of 4096 (3,1,0,3,0,14) R0E-M0-N14-J07
Task 3695 of 4096 (3,1,0,3,0,15) R0E-M0-N14-J07
Task 3696 of 4096 (3,1,0,3,1,0) R0E-M0-N14-J00
Task 3697 of 4096 (3,1,0,3,1,1) R0E-M0-N14-J00
Task 3698 of 4096 (3,1,0,3,1,2) R0E-M0-N14-J00
Task 3699 of 4096 (3,1,0,3,1,3) R0E-M0-N14-J00
Task 3700 of 4096 (3,1,0,3,1,4) R0E-M0-N14-J00
Task 3701 of 4096 (3,1,0,3,1,5) R0E-M0-N14-J00
Task 3702 of 4096 (3,1,0,3,1,6) R0E-M0-N14-J00
Task 3703 of 4096 (3,1,0,3,1,7) R0E-M0-N14-J00
Task 3704 of 4096 (3,1,0,3,1,8) R0E-M0-N14-J00
Task 3705 of 4096 (3,1,0,3,1,9) R0E-M0-N14-J00
Task 3706 of 4096 (3,1,0,3,1,10) R0E-M0-N14-J00
Task 3707 of 4096 (3,1,0,3,1,11) R0E-M0-N14-J00
Task 3708 of 4096 (3,1,0,3,1,12) R0E-M0-N14-J00
Task 3709 of 4096 (3,1,0,3,1,13) R0E-M0-N14-J00
Task 3710 of 4096 (3,1,0,3,1,14) R0E-M0-N14-J00
Task 3711 of 4096 (3,1,0,3,1,15) R0E-M0-N14-J00
Task 3712 of 4096 (3,1,1,0,0,0) R0E-M0-N12-J06
Task 3713 of 4096 (3,1,1,0,0,1) R0E-M0-N12-J06
Task 3714 of 4096 (3,1,1,0,0,2) R0E-M0-N12-J06
Task 3715 of 4096 (3,1,1,0,0,3) R0E-M0-N12-J06
Task 3716 of 4096 (3,1,1,0,0,4) R0E-M0-N12-J06
Task 3717 of 4096 (3,1,1,0,0,5) R0E-M0-N12-J06
Task 3718 of 4096 (3,1,1,0,0,6) R0E-M0-N12-J06
Task 3719 of 4096 (3,1,1,0,0,7) R0E-M0-N12-J06
Task 3720 of 4096 (3,1,1,0,0,8) R0E-M0-N12-J06
Task 3721 of 4096 (3,1,1,0,0,9) R0E-M0-N12-J06
Task 3722 of 4096 (3,1,1,0,0,10) R0E-M0-N12-J06
Task 3723 of 4096 (3,1,1,0,0,11) R0E-M0-N12-J06
Task 3724 of 4096 (3,1,1,0,0,12) R0E-M0-N12-J06
Task 3725 of 4096 (3,1,1,0,0,13) R0E-M0-N12-J06
Task 3726 of 4096 (3,1,1,0,0,14) R0E-M0-N12-J06
Task 3727 of 4096 (3,1,1,0,0,15) R0E-M0-N12-J06
Task 3728 of 4096 (3,1,1,0,1,0) R0E-M0-N12-J01
Task 3729 of 4096 (3,1,1,0,1,1) R0E-M0-N12-J01
Task 3730 of 4096 (3,1,1,0,1,2) R0E-M0-N12-J01
Task 3731 of 4096 (3,1,1,0,1,3) R0E-M0-N12-J01
Task 3732 of 4096 (3,1,1,0,1,4) R0E-M0-N12-J01
Task 3733 of 4096 (3,1,1,0,1,5) R0E-M0-N12-J01
Task 3734 of 4096 (3,1,1,0,1,6) R0E-M0-N12-J01
Task 3735 of 4096 (3,1,1,0,1,7) R0E-M0-N12-J01
Task 3736 of 4096 (3,1,1,0,1,8) R0E-M0-N12-J01
Task 3737 of 4096 (3,1,1,0,1,9) R0E-M0-N12-J01
Task 3738 of 4096 (3,1,1,0,1,10) R0E-M0-N12-J01
Task 3739 of 4096 (3,1,1,0,1,11) R0E-M0-N12-J01
Task 3740 of 4096 (3,1,1,0,1,12) R0E-M0-N12-J01
Task 3741 of 4096 (3,1,1,0,1,13) R0E-M0-N12-J01
Task 3742 of 4096 (3,1,1,0,1,14) R0E-M0-N12-J01
Task 3743 of 4096 (3,1,1,0,1,15) R0E-M0-N12-J01
Task 3744 of 4096 (3,1,1,1,0,0) R0E-M0-N12-J10
Task 3745 of 4096 (3,1,1,1,0,1) R0E-M0-N12-J10
Task 3746 of 4096 (3,1,1,1,0,2) R0E-M0-N12-J10
Task 3747 of 4096 (3,1,1,1,0,3) R0E-M0-N12-J10
Task 3748 of 4096 (3,1,1,1,0,4) R0E-M0-N12-J10
Task 3749 of 4096 (3,1,1,1,0,5) R0E-M0-N12-J10
Task 3750 of 4096 (3,1,1,1,0,6) R0E-M0-N12-J10
Task 3751 of 4096 (3,1,1,1,0,7) R0E-M0-N12-J10
Task 3752 of 4096 (3,1,1,1,0,8) R0E-M0-N12-J10
Task 3753 of 4096 (3,1,1,1,0,9) R0E-M0-N12-J10
Task 3754 of 4096 (3,1,1,1,0,10) R0E-M0-N12-J10
Task 3755 of 4096 (3,1,1,1,0,11) R0E-M0-N12-J10
Task 3756 of 4096 (3,1,1,1,0,12) R0E-M0-N12-J10
Task 3757 of 4096 (3,1,1,1,0,13) R0E-M0-N12-J10
Task 3758 of 4096 (3,1,1,1,0,14) R0E-M0-N12-J10
Task 3759 of 4096 (3,1,1,1,0,15) R0E-M0-N12-J10
Task 3760 of 4096 (3,1,1,1,1,0) R0E-M0-N12-J13
Task 3761 of 4096 (3,1,1,1,1,1) R0E-M0-N12-J13
Task 3762 of 4096 (3,1,1,1,1,2) R0E-M0-N12-J13
Task 3763 of 4096 (3,1,1,1,1,3) R0E-M0-N12-J13
Task 3764 of 4096 (3,1,1,1,1,4) R0E-M0-N12-J13
Task 3765 of 4096 (3,1,1,1,1,5) R0E-M0-N12-J13
Task 3766 of 4096 (3,1,1,1,1,6) R0E-M0-N12-J13
Task 3767 of 4096 (3,1,1,1,1,7) R0E-M0-N12-J13
Task 3768 of 4096 (3,1,1,1,1,8) R0E-M0-N12-J13
Task 3769 of 4096 (3,1,1,1,1,9) R0E-M0-N12-J13
Task 3770 of 4096 (3,1,1,1,1,10) R0E-M0-N12-J13
Task 3771 of 4096 (3,1,1,1,1,11) R0E-M0-N12-J13
Task 3772 of 4096 (3,1,1,1,1,12) R0E-M0-N12-J13
Task 3773 of 4096 (3,1,1,1,1,13) R0E-M0-N12-J13
Task 3774 of 4096 (3,1,1,1,1,14) R0E-M0-N12-J13
Task 3775 of 4096 (3,1,1,1,1,15) R0E-M0-N12-J13
Task 3776 of 4096 (3,1,1,2,0,0) R0E-M0-N14-J10
Task 3777 of 4096 (3,1,1,2,0,1) R0E-M0-N14-J10
Task 3778 of 4096 (3,1,1,2,0,2) R0E-M0-N14-J10
Task 3779 of 4096 (3,1,1,2,0,3) R0E-M0-N14-J10
Task 3780 of 4096 (3,1,1,2,0,4) R0E-M0-N14-J10
Task 3781 of 4096 (3,1,1,2,0,5) R0E-M0-N14-J10
Task 3782 of 4096 (3,1,1,2,0,6) R0E-M0-N14-J10
Task 3783 of 4096 (3,1,1,2,0,7) R0E-M0-N14-J10
Task 3784 of 4096 (3,1,1,2,0,8) R0E-M0-N14-J10
Task 3785 of 4096 (3,1,1,2,0,9) R0E-M0-N14-J10
Task 3786 of 4096 (3,1,1,2,0,10) R0E-M0-N14-J10
Task 3787 of 4096 (3,1,1,2,0,11) R0E-M0-N14-J10
Task 3788 of 4096 (3,1,1,2,0,12) R0E-M0-N14-J10
Task 3789 of 4096 (3,1,1,2,0,13) R0E-M0-N14-J10
Task 3790 of 4096 (3,1,1,2,0,14) R0E-M0-N14-J10
Task 3791 of 4096 (3,1,1,2,0,15) R0E-M0-N14-J10
Task 3792 of 4096 (3,1,1,2,1,0) R0E-M0-N14-J13
Task 3793 of 4096 (3,1,1,2,1,1) R0E-M0-N14-J13
Task 3794 of 4096 (3,1,1,2,1,2) R0E-M0-N14-J13
Task 3795 of 4096 (3,1,1,2,1,3) R0E-M0-N14-J13
Task 3796 of 4096 (3,1,1,2,1,4) R0E-M0-N14-J13
Task 3797 of 4096 (3,1,1,2,1,5) R0E-M0-N14-J13
Task 3798 of 4096 (3,1,1,2,1,6) R0E-M0-N14-J13
Task 3799 of 4096 (3,1,1,2,1,7) R0E-M0-N14-J13
Task 3800 of 4096 (3,1,1,2,1,8) R0E-M0-N14-J13
Task 3801 of 4096 (3,1,1,2,1,9) R0E-M0-N14-J13
Task 3802 of 4096 (3,1,1,2,1,10) R0E-M0-N14-J13
Task 3803 of 4096 (3,1,1,2,1,11) R0E-M0-N14-J13
Task 3804 of 4096 (3,1,1,2,1,12) R0E-M0-N14-J13
Task 3805 of 4096 (3,1,1,2,1,13) R0E-M0-N14-J13
Task 3806 of 4096 (3,1,1,2,1,14) R0E-M0-N14-J13
Task 3807 of 4096 (3,1,1,2,1,15) R0E-M0-N14-J13
Task 3808 of 4096 (3,1,1,3,0,0) R0E-M0-N14-J06
Task 3809 of 4096 (3,1,1,3,0,1) R0E-M0-N14-J06
Task 3810 of 4096 (3,1,1,3,0,2) R0E-M0-N14-J06
Task 3811 of 4096 (3,1,1,3,0,3) R0E-M0-N14-J06
Task 3812 of 4096 (3,1,1,3,0,4) R0E-M0-N14-J06
Task 3813 of 4096 (3,1,1,3,0,5) R0E-M0-N14-J06
Task 3814 of 4096 (3,1,1,3,0,6) R0E-M0-N14-J06
Task 3815 of 4096 (3,1,1,3,0,7) R0E-M0-N14-J06
Task 3816 of 4096 (3,1,1,3,0,8) R0E-M0-N14-J06
Task 3817 of 4096 (3,1,1,3,0,9) R0E-M0-N14-J06
Task 3818 of 4096 (3,1,1,3,0,10) R0E-M0-N14-J06
Task 3819 of 4096 (3,1,1,3,0,11) R0E-M0-N14-J06
Task 3820 of 4096 (3,1,1,3,0,12) R0E-M0-N14-J06
Task 3821 of 4096 (3,1,1,3,0,13) R0E-M0-N14-J06
Task 3822 of 4096 (3,1,1,3,0,14) R0E-M0-N14-J06
Task 3823 of 4096 (3,1,1,3,0,15) R0E-M0-N14-J06
Task 3824 of 4096 (3,1,1,3,1,0) R0E-M0-N14-J01
Task 3825 of 4096 (3,1,1,3,1,1) R0E-M0-N14-J01
Task 3826 of 4096 (3,1,1,3,1,2) R0E-M0-N14-J01
Task 3827 of 4096 (3,1,1,3,1,3) R0E-M0-N14-J01
Task 3828 of 4096 (3,1,1,3,1,4) R0E-M0-N14-J01
Task 3829 of 4096 (3,1,1,3,1,5) R0E-M0-N14-J01
Task 3830 of 4096 (3,1,1,3,1,6) R0E-M0-N14-J01
Task 3831 of 4096 (3,1,1,3,1,7) R0E-M0-N14-J01
Task 3832 of 4096 (3,1,1,3,1,8) R0E-M0-N14-J01
Task 3833 of 4096 (3,1,1,3,1,9) R0E-M0-N14-J01
Task 3834 of 4096 (3,1,1,3,1,10) R0E-M0-N14-J01
Task 3835 of 4096 (3,1,1,3,1,11) R0E-M0-N14-J01
Task 3836 of 4096 (3,1,1,3,1,12) R0E-M0-N14-J01
Task 3837 of 4096 (3,1,1,3,1,13) R0E-M0-N14-J01
Task 3838 of 4096 (3,1,1,3,1,14) R0E-M0-N14-J01
Task 3839 of 4096 (3,1,1,3,1,15) R0E-M0-N14-J01
Task 3840 of 4096 (3,1,2,0,0,0) R0E-M0-N13-J06
Task 3841 of 4096 (3,1,2,0,0,1) R0E-M0-N13-J06
Task 3842 of 4096 (3,1,2,0,0,2) R0E-M0-N13-J06
Task 3843 of 4096 (3,1,2,0,0,3) R0E-M0-N13-J06
Task 3844 of 4096 (3,1,2,0,0,4) R0E-M0-N13-J06
Task 3845 of 4096 (3,1,2,0,0,5) R0E-M0-N13-J06
Task 3846 of 4096 (3,1,2,0,0,6) R0E-M0-N13-J06
Task 3847 of 4096 (3,1,2,0,0,7) R0E-M0-N13-J06
Task 3848 of 4096 (3,1,2,0,0,8) R0E-M0-N13-J06
Task 3849 of 4096 (3,1,2,0,0,9) R0E-M0-N13-J06
Task 3850 of 4096 (3,1,2,0,0,10) R0E-M0-N13-J06
Task 3851 of 4096 (3,1,2,0,0,11) R0E-M0-N13-J06
Task 3852 of 4096 (3,1,2,0,0,12) R0E-M0-N13-J06
Task 3853 of 4096 (3,1,2,0,0,13) R0E-M0-N13-J06
Task 3854 of 4096 (3,1,2,0,0,14) R0E-M0-N13-J06
Task 3855 of 4096 (3,1,2,0,0,15) R0E-M0-N13-J06
Task 3856 of 4096 (3,1,2,0,1,0) R0E-M0-N13-J01
Task 3857 of 4096 (3,1,2,0,1,1) R0E-M0-N13-J01
Task 3858 of 4096 (3,1,2,0,1,2) R0E-M0-N13-J01
Task 3859 of 4096 (3,1,2,0,1,3) R0E-M0-N13-J01
Task 3860 of 4096 (3,1,2,0,1,4) R0E-M0-N13-J01
Task 3861 of 4096 (3,1,2,0,1,5) R0E-M0-N13-J01
Task 3862 of 4096 (3,1,2,0,1,6) R0E-M0-N13-J01
Task 3863 of 4096 (3,1,2,0,1,7) R0E-M0-N13-J01
Task 3864 of 4096 (3,1,2,0,1,8) R0E-M0-N13-J01
Task 3865 of 4096 (3,1,2,0,1,9) R0E-M0-N13-J01
Task 3866 of 4096 (3,1,2,0,1,10) R0E-M0-N13-J01
Task 3867 of 4096 (3,1,2,0,1,11) R0E-M0-N13-J01
Task 3868 of 4096 (3,1,2,0,1,12) R0E-M0-N13-J01
Task 3869 of 4096 (3,1,2,0,1,13) R0E-M0-N13-J01
Task 3870 of 4096 (3,1,2,0,1,14) R0E-M0-N13-J01
Task 3871 of 4096 (3,1,2,0,1,15) R0E-M0-N13-J01
Task 3872 of 4096 (3,1,2,1,0,0) R0E-M0-N13-J10
Task 3873 of 4096 (3,1,2,1,0,1) R0E-M0-N13-J10
Task 3874 of 4096 (3,1,2,1,0,2) R0E-M0-N13-J10
Task 3875 of 4096 (3,1,2,1,0,3) R0E-M0-N13-J10
Task 3876 of 4096 (3,1,2,1,0,4) R0E-M0-N13-J10
Task 3877 of 4096 (3,1,2,1,0,5) R0E-M0-N13-J10
Task 3878 of 4096 (3,1,2,1,0,6) R0E-M0-N13-J10
Task 3879 of 4096 (3,1,2,1,0,7) R0E-M0-N13-J10
Task 3880 of 4096 (3,1,2,1,0,8) R0E-M0-N13-J10
Task 3881 of 4096 (3,1,2,1,0,9) R0E-M0-N13-J10
Task 3882 of 4096 (3,1,2,1,0,10) R0E-M0-N13-J10
Task 3883 of 4096 (3,1,2,1,0,11) R0E-M0-N13-J10
Task 3884 of 4096 (3,1,2,1,0,12) R0E-M0-N13-J10
Task 3885 of 4096 (3,1,2,1,0,13) R0E-M0-N13-J10
Task 3886 of 4096 (3,1,2,1,0,14) R0E-M0-N13-J10
Task 3887 of 4096 (3,1,2,1,0,15) R0E-M0-N13-J10
Task 3888 of 4096 (3,1,2,1,1,0) R0E-M0-N13-J13
Task 3889 of 4096 (3,1,2,1,1,1) R0E-M0-N13-J13
Task 3890 of 4096 (3,1,2,1,1,2) R0E-M0-N13-J13
Task 3891 of 4096 (3,1,2,1,1,3) R0E-M0-N13-J13
Task 3892 of 4096 (3,1,2,1,1,4) R0E-M0-N13-J13
Task 3893 of 4096 (3,1,2,1,1,5) R0E-M0-N13-J13
Task 3894 of 4096 (3,1,2,1,1,6) R0E-M0-N13-J13
Task 3895 of 4096 (3,1,2,1,1,7) R0E-M0-N13-J13
Task 3896 of 4096 (3,1,2,1,1,8) R0E-M0-N13-J13
Task 3897 of 4096 (3,1,2,1,1,9) R0E-M0-N13-J13
Task 3898 of 4096 (3,1,2,1,1,10) R0E-M0-N13-J13
Task 3899 of 4096 (3,1,2,1,1,11) R0E-M0-N13-J13
Task 3900 of 4096 (3,1,2,1,1,12) R0E-M0-N13-J13
Task 3901 of 4096 (3,1,2,1,1,13) R0E-M0-N13-J13
Task 3902 of 4096 (3,1,2,1,1,14) R0E-M0-N13-J13
Task 3903 of 4096 (3,1,2,1,1,15) R0E-M0-N13-J13
Task 3904 of 4096 (3,1,2,2,0,0) R0E-M0-N15-J10
Task 3905 of 4096 (3,1,2,2,0,1) R0E-M0-N15-J10
Task 3906 of 4096 (3,1,2,2,0,2) R0E-M0-N15-J10
Task 3907 of 4096 (3,1,2,2,0,3) R0E-M0-N15-J10
Task 3908 of 4096 (3,1,2,2,0,4) R0E-M0-N15-J10
Task 3909 of 4096 (3,1,2,2,0,5) R0E-M0-N15-J10
Task 3910 of 4096 (3,1,2,2,0,6) R0E-M0-N15-J10
Task 3911 of 4096 (3,1,2,2,0,7) R0E-M0-N15-J10
Task 3912 of 4096 (3,1,2,2,0,8) R0E-M0-N15-J10
Task 3913 of 4096 (3,1,2,2,0,9) R0E-M0-N15-J10
Task 3914 of 4096 (3,1,2,2,0,10) R0E-M0-N15-J10
Task 3915 of 4096 (3,1,2,2,0,11) R0E-M0-N15-J10
Task 3916 of 4096 (3,1,2,2,0,12) R0E-M0-N15-J10
Task 3917 of 4096 (3,1,2,2,0,13) R0E-M0-N15-J10
Task 3918 of 4096 (3,1,2,2,0,14) R0E-M0-N15-J10
Task 3919 of 4096 (3,1,2,2,0,15) R0E-M0-N15-J10
Task 3920 of 4096 (3,1,2,2,1,0) R0E-M0-N15-J13
Task 3921 of 4096 (3,1,2,2,1,1) R0E-M0-N15-J13
Task 3922 of 4096 (3,1,2,2,1,2) R0E-M0-N15-J13
Task 3923 of 4096 (3,1,2,2,1,3) R0E-M0-N15-J13
Task 3924 of 4096 (3,1,2,2,1,4) R0E-M0-N15-J13
Task 3925 of 4096 (3,1,2,2,1,5) R0E-M0-N15-J13
Task 3926 of 4096 (3,1,2,2,1,6) R0E-M0-N15-J13
Task 3927 of 4096 (3,1,2,2,1,7) R0E-M0-N15-J13
Task 3928 of 4096 (3,1,2,2,1,8) R0E-M0-N15-J13
Task 3929 of 4096 (3,1,2,2,1,9) R0E-M0-N15-J13
Task 3930 of 4096 (3,1,2,2,1,10) R0E-M0-N15-J13
Task 3931 of 4096 (3,1,2,2,1,11) R0E-M0-N15-J13
Task 3932 of 4096 (3,1,2,2,1,12) R0E-M0-N15-J13
Task 3933 of 4096 (3,1,2,2,1,13) R0E-M0-N15-J13
Task 3934 of 4096 (3,1,2,2,1,14) R0E-M0-N15-J13
Task 3935 of 4096 (3,1,2,2,1,15) R0E-M0-N15-J13
Task 3936 of 4096 (3,1,2,3,0,0) R0E-M0-N15-J06
Task 3937 of 4096 (3,1,2,3,0,1) R0E-M0-N15-J06
Task 3938 of 4096 (3,1,2,3,0,2) R0E-M0-N15-J06
Task 3939 of 4096 (3,1,2,3,0,3) R0E-M0-N15-J06
Task 3940 of 4096 (3,1,2,3,0,4) R0E-M0-N15-J06
Task 3941 of 4096 (3,1,2,3,0,5) R0E-M0-N15-J06
Task 3942 of 4096 (3,1,2,3,0,6) R0E-M0-N15-J06
Task 3943 of 4096 (3,1,2,3,0,7) R0E-M0-N15-J06
Task 3944 of 4096 (3,1,2,3,0,8) R0E-M0-N15-J06
Task 3945 of 4096 (3,1,2,3,0,9) R0E-M0-N15-J06
Task 3946 of 4096 (3,1,2,3,0,10) R0E-M0-N15-J06
Task 3947 of 4096 (3,1,2,3,0,11) R0E-M0-N15-J06
Task 3948 of 4096 (3,1,2,3,0,12) R0E-M0-N15-J06
Task 3949 of 4096 (3,1,2,3,0,13) R0E-M0-N15-J06
Task 3950 of 4096 (3,1,2,3,0,14) R0E-M0-N15-J06
Task 3951 of 4096 (3,1,2,3,0,15) R0E-M0-N15-J06
Task 3952 of 4096 (3,1,2,3,1,0) R0E-M0-N15-J01
Task 3953 of 4096 (3,1,2,3,1,1) R0E-M0-N15-J01
Task 3954 of 4096 (3,1,2,3,1,2) R0E-M0-N15-J01
Task 3955 of 4096 (3,1,2,3,1,3) R0E-M0-N15-J01
Task 3956 of 4096 (3,1,2,3,1,4) R0E-M0-N15-J01
Task 3957 of 4096 (3,1,2,3,1,5) R0E-M0-N15-J01
Task 3958 of 4096 (3,1,2,3,1,6) R0E-M0-N15-J01
Task 3959 of 4096 (3,1,2,3,1,7) R0E-M0-N15-J01
Task 3960 of 4096 (3,1,2,3,1,8) R0E-M0-N15-J01
Task 3961 of 4096 (3,1,2,3,1,9) R0E-M0-N15-J01
Task 3962 of 4096 (3,1,2,3,1,10) R0E-M0-N15-J01
Task 3963 of 4096 (3,1,2,3,1,11) R0E-M0-N15-J01
Task 3964 of 4096 (3,1,2,3,1,12) R0E-M0-N15-J01
Task 3965 of 4096 (3,1,2,3,1,13) R0E-M0-N15-J01
Task 3966 of 4096 (3,1,2,3,1,14) R0E-M0-N15-J01
Task 3967 of 4096 (3,1,2,3,1,15) R0E-M0-N15-J01
Task 3968 of 4096 (3,1,3,0,0,0) R0E-M0-N13-J07
Task 3969 of 4096 (3,1,3,0,0,1) R0E-M0-N13-J07
Task 3970 of 4096 (3,1,3,0,0,2) R0E-M0-N13-J07
Task 3971 of 4096 (3,1,3,0,0,3) R0E-M0-N13-J07
Task 3972 of 4096 (3,1,3,0,0,4) R0E-M0-N13-J07
Task 3973 of 4096 (3,1,3,0,0,5) R0E-M0-N13-J07
Task 3974 of 4096 (3,1,3,0,0,6) R0E-M0-N13-J07
Task 3975 of 4096 (3,1,3,0,0,7) R0E-M0-N13-J07
Task 3976 of 4096 (3,1,3,0,0,8) R0E-M0-N13-J07
Task 3977 of 4096 (3,1,3,0,0,9) R0E-M0-N13-J07
Task 3978 of 4096 (3,1,3,0,0,10) R0E-M0-N13-J07
Task 3979 of 4096 (3,1,3,0,0,11) R0E-M0-N13-J07
Task 3980 of 4096 (3,1,3,0,0,12) R0E-M0-N13-J07
Task 3981 of 4096 (3,1,3,0,0,13) R0E-M0-N13-J07
Task 3982 of 4096 (3,1,3,0,0,14) R0E-M0-N13-J07
Task 3983 of 4096 (3,1,3,0,0,15) R0E-M0-N13-J07
Task 3984 of 4096 (3,1,3,0,1,0) R0E-M0-N13-J00
Task 3985 of 4096 (3,1,3,0,1,1) R0E-M0-N13-J00
Task 3986 of 4096 (3,1,3,0,1,2) R0E-M0-N13-J00
Task 3987 of 4096 (3,1,3,0,1,3) R0E-M0-N13-J00
Task 3988 of 4096 (3,1,3,0,1,4) R0E-M0-N13-J00
Task 3989 of 4096 (3,1,3,0,1,5) R0E-M0-N13-J00
Task 3990 of 4096 (3,1,3,0,1,6) R0E-M0-N13-J00
Task 3991 of 4096 (3,1,3,0,1,7) R0E-M0-N13-J00
Task 3992 of 4096 (3,1,3,0,1,8) R0E-M0-N13-J00
Task 3993 of 4096 (3,1,3,0,1,9) R0E-M0-N13-J00
Task 3994 of 4096 (3,1,3,0,1,10) R0E-M0-N13-J00
Task 3995 of 4096 (3,1,3,0,1,11) R0E-M0-N13-J00
Task 3996 of 4096 (3,1,3,0,1,12) R0E-M0-N13-J00
Task 3997 of 4096 (3,1,3,0,1,13) R0E-M0-N13-J00
Task 3998 of 4096 (3,1,3,0,1,14) R0E-M0-N13-J00
Task 3999 of 4096 (3,1,3,0,1,15) R0E-M0-N13-J00
Task 4000 of 4096 (3,1,3,1,0,0) R0E-M0-N13-J11
Task 4001 of 4096 (3,1,3,1,0,1) R0E-M0-N13-J11
Task 4002 of 4096 (3,1,3,1,0,2) R0E-M0-N13-J11
Task 4003 of 4096 (3,1,3,1,0,3) R0E-M0-N13-J11
Task 4004 of 4096 (3,1,3,1,0,4) R0E-M0-N13-J11
Task 4005 of 4096 (3,1,3,1,0,5) R0E-M0-N13-J11
Task 4006 of 4096 (3,1,3,1,0,6) R0E-M0-N13-J11
Task 4007 of 4096 (3,1,3,1,0,7) R0E-M0-N13-J11
Task 4008 of 4096 (3,1,3,1,0,8) R0E-M0-N13-J11
Task 4009 of 4096 (3,1,3,1,0,9) R0E-M0-N13-J11
Task 4010 of 4096 (3,1,3,1,0,10) R0E-M0-N13-J11
Task 4011 of 4096 (3,1,3,1,0,11) R0E-M0-N13-J11
Task 4012 of 4096 (3,1,3,1,0,12) R0E-M0-N13-J11
Task 4013 of 4096 (3,1,3,1,0,13) R0E-M0-N13-J11
Task 4014 of 4096 (3,1,3,1,0,14) R0E-M0-N13-J11
Task 4015 of 4096 (3,1,3,1,0,15) R0E-M0-N13-J11
Task 4016 of 4096 (3,1,3,1,1,0) R0E-M0-N13-J12
Task 4017 of 4096 (3,1,3,1,1,1) R0E-M0-N13-J12
Task 4018 of 4096 (3,1,3,1,1,2) R0E-M0-N13-J12
Task 4019 of 4096 (3,1,3,1,1,3) R0E-M0-N13-J12
Task 4020 of 4096 (3,1,3,1,1,4) R0E-M0-N13-J12
Task 4021 of 4096 (3,1,3,1,1,5) R0E-M0-N13-J12
Task 4022 of 4096 (3,1,3,1,1,6) R0E-M0-N13-J12
Task 4023 of 4096 (3,1,3,1,1,7) R0E-M0-N13-J12
Task 4024 of 4096 (3,1,3,1,1,8) R0E-M0-N13-J12
Task 4025 of 4096 (3,1,3,1,1,9) R0E-M0-N13-J12
Task 4026 of 4096 (3,1,3,1,1,10) R0E-M0-N13-J12
Task 4027 of 4096 (3,1,3,1,1,11) R0E-M0-N13-J12
Task 4028 of 4096 (3,1,3,1,1,12) R0E-M0-N13-J12
Task 4029 of 4096 (3,1,3,1,1,13) R0E-M0-N13-J12
Task 4030 of 4096 (3,1,3,1,1,14) R0E-M0-N13-J12
Task 4031 of 4096 (3,1,3,1,1,15) R0E-M0-N13-J12
Task 4032 of 4096 (3,1,3,2,0,0) R0E-M0-N15-J11
Task 4033 of 4096 (3,1,3,2,0,1) R0E-M0-N15-J11
Task 4034 of 4096 (3,1,3,2,0,2) R0E-M0-N15-J11
Task 4035 of 4096 (3,1,3,2,0,3) R0E-M0-N15-J11
Task 4036 of 4096 (3,1,3,2,0,4) R0E-M0-N15-J11
Task 4037 of 4096 (3,1,3,2,0,5) R0E-M0-N15-J11
Task 4038 of 4096 (3,1,3,2,0,6) R0E-M0-N15-J11
Task 4039 of 4096 (3,1,3,2,0,7) R0E-M0-N15-J11
Task 4040 of 4096 (3,1,3,2,0,8) R0E-M0-N15-J11
Task 4041 of 4096 (3,1,3,2,0,9) R0E-M0-N15-J11
Task 4042 of 4096 (3,1,3,2,0,10) R0E-M0-N15-J11
Task 4043 of 4096 (3,1,3,2,0,11) R0E-M0-N15-J11
Task 4044 of 4096 (3,1,3,2,0,12) R0E-M0-N15-J11
Task 4045 of 4096 (3,1,3,2,0,13) R0E-M0-N15-J11
Task 4046 of 4096 (3,1,3,2,0,14) R0E-M0-N15-J11
Task 4047 of 4096 (3,1,3,2,0,15) R0E-M0-N15-J11
Task 4048 of 4096 (3,1,3,2,1,0) R0E-M0-N15-J12
Task 4049 of 4096 (3,1,3,2,1,1) R0E-M0-N15-J12
Task 4050 of 4096 (3,1,3,2,1,2) R0E-M0-N15-J12
Task 4051 of 4096 (3,1,3,2,1,3) R0E-M0-N15-J12
Task 4052 of 4096 (3,1,3,2,1,4) R0E-M0-N15-J12
Task 4053 of 4096 (3,1,3,2,1,5) R0E-M0-N15-J12
Task 4054 of 4096 (3,1,3,2,1,6) R0E-M0-N15-J12
Task 4055 of 4096 (3,1,3,2,1,7) R0E-M0-N15-J12
Task 4056 of 4096 (3,1,3,2,1,8) R0E-M0-N15-J12
Task 4057 of 4096 (3,1,3,2,1,9) R0E-M0-N15-J12
Task 4058 of 4096 (3,1,3,2,1,10) R0E-M0-N15-J12
Task 4059 of 4096 (3,1,3,2,1,11) R0E-M0-N15-J12
Task 4060 of 4096 (3,1,3,2,1,12) R0E-M0-N15-J12
Task 4061 of 4096 (3,1,3,2,1,13) R0E-M0-N15-J12
Task 4062 of 4096 (3,1,3,2,1,14) R0E-M0-N15-J12
Task 4063 of 4096 (3,1,3,2,1,15) R0E-M0-N15-J12
Task 4064 of 4096 (3,1,3,3,0,0) R0E-M0-N15-J07
Task 4065 of 4096 (3,1,3,3,0,1) R0E-M0-N15-J07
Task 4066 of 4096 (3,1,3,3,0,2) R0E-M0-N15-J07
Task 4067 of 4096 (3,1,3,3,0,3) R0E-M0-N15-J07
Task 4068 of 4096 (3,1,3,3,0,4) R0E-M0-N15-J07
Task 4069 of 4096 (3,1,3,3,0,5) R0E-M0-N15-J07
Task 4070 of 4096 (3,1,3,3,0,6) R0E-M0-N15-J07
Task 4071 of 4096 (3,1,3,3,0,7) R0E-M0-N15-J07
Task 4072 of 4096 (3,1,3,3,0,8) R0E-M0-N15-J07
Task 4073 of 4096 (3,1,3,3,0,9) R0E-M0-N15-J07
Task 4074 of 4096 (3,1,3,3,0,10) R0E-M0-N15-J07
Task 4075 of 4096 (3,1,3,3,0,11) R0E-M0-N15-J07
Task 4076 of 4096 (3,1,3,3,0,12) R0E-M0-N15-J07
Task 4077 of 4096 (3,1,3,3,0,13) R0E-M0-N15-J07
Task 4078 of 4096 (3,1,3,3,0,14) R0E-M0-N15-J07
Task 4079 of 4096 (3,1,3,3,0,15) R0E-M0-N15-J07
Task 4080 of 4096 (3,1,3,3,1,0) R0E-M0-N15-J00
Task 4081 of 4096 (3,1,3,3,1,1) R0E-M0-N15-J00
Task 4082 of 4096 (3,1,3,3,1,2) R0E-M0-N15-J00
Task 4083 of 4096 (3,1,3,3,1,3) R0E-M0-N15-J00
Task 4084 of 4096 (3,1,3,3,1,4) R0E-M0-N15-J00
Task 4085 of 4096 (3,1,3,3,1,5) R0E-M0-N15-J00
Task 4086 of 4096 (3,1,3,3,1,6) R0E-M0-N15-J00
Task 4087 of 4096 (3,1,3,3,1,7) R0E-M0-N15-J00
Task 4088 of 4096 (3,1,3,3,1,8) R0E-M0-N15-J00
Task 4089 of 4096 (3,1,3,3,1,9) R0E-M0-N15-J00
Task 4090 of 4096 (3,1,3,3,1,10) R0E-M0-N15-J00
Task 4091 of 4096 (3,1,3,3,1,11) R0E-M0-N15-J00
Task 4092 of 4096 (3,1,3,3,1,12) R0E-M0-N15-J00
Task 4093 of 4096 (3,1,3,3,1,13) R0E-M0-N15-J00
Task 4094 of 4096 (3,1,3,3,1,14) R0E-M0-N15-J00
Task 4095 of 4096 (3,1,3,3,1,15) R0E-M0-N15-J00
[qbox] set nrowmax 256
[qbox] load md144.xml
LoadCmd: loading from md144.xml
SampleReader: reading from file md144.xml size: 1595163516
XMLGFPreprocessor: read time: 6.37
XMLGFPreprocessor: local read rate: 0.05831 MB/s aggregate read rate: 238.8 MB/s
XMLGFPreprocessor: tag fixing time: 0.02278
XMLGFPreprocessor: segment definition time: 1.373
XMLGFPreprocessor: boundary adjustment time: 1.707
XMLGFPreprocessor: transcoding time: 0.004944
XMLGFPreprocessor: byte swapping time: 0.0005751
XMLGFPreprocessor: data redistribution time: 0.1289
XMLGFPreprocessor: XML compacting time: 0.01544
XMLGFPreprocessor: total time: 10.93
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: 13.149414 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: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.473 s
total exchange = -52.3612247236 (a.u.)
total exchange computation time: 2.7559740543 s
678.69075410
-1083.52675236
89.85462542
-389.23166873
-174.78630179
78.12150335
551.60419304
0.00000000
-931.36056809
5.64524746 -31.12795809 -3.90880085
0.00009779 -0.00020686 0.00033017
-0.03059136 0.00838488 0.00745588
-11.65855683 -1.02856056 -11.86308582
-0.00031659 -0.00001380 -0.00005668
0.00511784 -0.02395542 0.02217960
-38.07292717 2.31619039 3.48203454
0.00004664 0.00010642 -0.00021225
0.00060592 0.00233419 -0.02085449
-9.25762762 -2.77018769 2.66548522
-0.00054970 -0.00013305 -0.00013550
-0.05535019 0.04385420 -0.01053637
0.55891576 -0.11339343 8.95117239
0.00018751 -0.00018575 0.00026638
0.01734642 0.00231618 0.00885297
-32.37561584 2.70849476 1.98906651
-0.00000114 0.00020009 -0.00040898
-0.02461315 0.01619130 0.00439801
13.86021981 13.46919561 -14.22512082
0.00014355 0.00010155 -0.00038054
-0.07786225 -0.00026211 0.00274611
-3.79127253 7.05552432 4.26762765
-0.00041177 0.00000596 -0.00012340
-0.03350996 -0.00554986 0.03304411
5.68889050 16.68951149 -8.60896294
0.00013500 0.00001103 0.00014779
0.01364969 0.00038563 -0.03283890
6.99256990 6.94301159 -21.04362500
-0.00026119 0.00046562 -0.00001557
-0.03469177 -0.01341186 0.01740191
23.71563339 17.08465193 -2.46849933
-0.00037590 0.00003953 0.00026208
-0.00676202 -0.00172634 0.01191918
1.32673263 12.76252085 -21.15886504
0.00008680 0.00021675 0.00024134
-0.00471622 -0.00108721 -0.01101678
10.22837428 -3.68378117 -1.82514345
0.00036814 0.00013097 0.00003420
0.01584504 0.05714751 0.00297652
-18.08871754 -2.64663698 4.56498198
0.00041631 0.00012479 0.00033433
0.00005461 0.00660969 -0.01051234
-15.16193644 0.06607460 18.72433918
-0.00028839 0.00007599 -0.00021190
0.00560297 0.00692948 0.01116510
2.79169412 2.70140554 -3.02597235
0.00003031 0.00009134 0.00015662
0.00194807 -0.00190914 0.00946616
23.35344754 -7.67075360 -9.52905986
0.00007673 -0.00003218 -0.00003855
0.02889808 -0.03898561 -0.00272656
1.32759052 -8.04035144 6.59497235
0.00011216 -0.00003179 0.00019169
0.02634877 0.02657188 0.00016176
-3.88453246 -1.43888536 -18.30164534
0.00000828 0.00040284 0.00022640
0.01921568 -0.02740203 -0.00342555
3.46203603 4.18987406 -10.79277547
-0.00014821 0.00019537 0.00017737
-0.04289257 0.01087292 -0.02135711
-2.68297429 16.97985570 13.79716942
0.00004058 -0.00017993 0.00014526
-0.00905817 -0.00378150 0.02421391
-2.14150426 2.00229150 -7.04531086
-0.00028824 0.00013959 -0.00008674
0.02370360 0.04021086 0.01861952
-6.62269649 -2.00265529 -4.33646959
-0.00013202 -0.00013842 -0.00013252
-0.01486509 -0.00923402 -0.01627521
0.31031972 28.14516078 7.18271468
0.00000217 0.00009305 0.00006546
0.02852611 0.00623845 0.00141709
10.01046121 -9.10535071 -1.45776235
0.00006362 0.00004601 -0.00007910
0.01616381 -0.01149566 0.03245009
-6.78449764 0.30565027 7.56383509
-0.00020509 0.00007502 0.00002624
-0.00046252 -0.00854084 0.00859799
18.56842519 11.79392977 6.23591714
0.00002505 -0.00010308 0.00026516
-0.01129325 0.00902554 -0.03724048
-3.26711156 -3.97466318 -23.25499686
-0.00002391 0.00003825 0.00000842
0.00120044 -0.00549805 0.00418632
-13.65455812 8.23728368 8.11221014
0.00002194 -0.00000061 0.00033154
-0.00416157 0.00762929 0.00482261
-11.79673874 7.67521347 -2.52624605
-0.00042406 -0.00021414 -0.00010862
-0.01534399 -0.04469178 -0.01741446
-3.04788159 -16.14465704 20.39502378
-0.00031176 -0.00003300 0.00002819
-0.00254864 -0.03584577 -0.00191379
-3.03023696 6.94083732 -8.06355740
-0.00026234 -0.00014848 0.00019391
-0.02470736 0.04728079 0.02843646
-20.65482556 29.46975833 1.44356426
-0.00019136 0.00015997 -0.00005771
-0.03668821 0.01065775 -0.00225916
9.76351107 3.36168877 7.52270935
-0.00005511 -0.00023311 -0.00003871
-0.01881208 0.02792099 0.00088068
6.34904954 14.27880366 -13.46108575
0.00009357 0.00042416 0.00052764
-0.03081816 -0.04587936 0.04352083
14.18752162 3.90697010 -2.88462168
-0.00016233 -0.00021809 -0.00002618
0.01834683 0.00710418 -0.06637601
-6.39546984 11.12040533 -0.54826450
0.00021913 -0.00021688 0.00011393
-0.00698539 0.02046791 0.00421504
5.96905481 13.03010028 3.20638549
0.00012830 0.00025314 -0.00010096
0.05105668 -0.02188179 0.00914580
21.82598198 -12.37968349 -11.42611252
0.00010700 0.00005010 -0.00027188
0.00702191 0.03205956 0.00361618
16.66903338 -6.33975409 3.33866766
-0.00013297 0.00006255 0.00026281
0.03162013 -0.00017694 -0.04409126
15.20570746 7.28686407 10.03610145
0.00010234 -0.00005878 -0.00024148
0.02520767 -0.02438709 -0.00942079
3.18012396 -13.85828843 16.57341906
-0.00027646 0.00009141 -0.00015209
0.01152370 -0.01658896 0.03594988
-3.55184164 -0.64173814 -10.72871484
-0.00001873 -0.00027599 0.00002210
-0.03723329 -0.04490406 0.01924692
15.22187143 -7.98055412 -9.43971425
0.00037220 0.00001738 -0.00016499
-0.01892072 0.01499523 -0.04914680
8.67748087 -3.17901580 6.33401199
0.00030271 -0.00026371 -0.00017345
0.03128396 -0.01671348 0.01700710
-21.29400063 1.61033969 24.59614079
-0.00014942 0.00005758 -0.00005888
-0.01100871 -0.00413021 -0.00950837
24.93629177 -1.68473323 -6.42680306
-0.00002099 -0.00007887 -0.00006868
-0.00154827 -0.01128677 -0.01909090
11.55315077 -11.79974821 -9.98724815
0.00021311 -0.00002327 0.00007633
-0.00206487 0.00015536 -0.00396278
-4.84407051 -10.24203246 16.71434817
-0.00008885 0.00004788 -0.00024184
-0.02944364 0.01232658 -0.03864701
7.93403816 2.02457442 -30.29485707
0.00045748 0.00048824 -0.00032034
-0.00914495 0.00663402 0.00193116
10.82181491 17.42700182 14.86617094
-0.00007808 -0.00045512 -0.00002636
0.00652425 0.02680612 -0.02255533
30.70950861 7.29035409 -7.70616612
-0.00004146 -0.00006830 -0.00005435
-0.05992991 0.02332088 0.02790736
5.83182803 -30.07706894 -5.41923747
-0.00042283 0.00039499 -0.00010691
-0.00236324 -0.00285917 0.00645512
4.12836664 -30.42647912 -3.00749521
-0.00057425 -0.00085229 -0.00035238
0.02406302 -0.00413760 -0.01833050
-12.30810054 -2.40240844 -12.93975846
-0.00000316 -0.00037591 -0.00032006
0.00012310 0.00900328 -0.00335326
-11.98898790 0.45927584 -12.83283459
0.00076924 0.00098550 0.00009779
-0.00249445 0.02097680 -0.01019054
-38.26033576 3.47367745 2.05217229
0.00108172 -0.00045246 0.00049092
0.00890384 0.00831988 0.01045572
-39.57405036 1.31823949 3.19874685
-0.00002544 0.00029519 0.00026518
-0.00664950 -0.00675825 0.01073451
-10.20791592 -2.94601001 1.06918140
0.00037268 -0.00013254 -0.00139054
0.00385346 -0.00202421 0.00274209
-7.99686716 -3.95422098 2.50938382
0.00011816 0.00064254 0.00128635
0.04184078 -0.03708956 0.00297564
0.04154707 -0.13891564 7.22078267
-0.00006973 -0.00016098 -0.00094892
0.00391472 0.00326624 -0.00678433
2.06610665 0.94651453 9.12346168
-0.00018505 0.00009841 -0.00081118
-0.01140417 -0.00463335 -0.00728641
-31.64409735 1.06223041 1.98235590
-0.00061203 -0.00045329 0.00117863
0.00304907 -0.01912302 0.00333260
-34.21860722 2.46849315 2.29266077
-0.00068992 0.00084480 0.00030889
0.02499756 0.00012504 -0.00505508
12.43014078 12.75342727 -15.32792649
0.00018797 0.00031448 0.00076290
0.04117690 0.01592693 0.02442647
15.38553708 13.31446492 -15.05817628
0.00054714 0.00039506 0.00008554
0.04032028 -0.01394428 -0.02652482
-3.84189499 8.86034540 4.56196843
0.00012511 0.00043304 -0.00058739
-0.00340986 0.01015821 0.01627377
-2.77882019 6.92866212 2.86528881
-0.00063092 0.00048823 -0.00129954
0.03221247 -0.01230147 -0.05143806
5.66499438 16.52122844 -10.52359928
0.00005859 -0.00014268 0.00043735
0.00314649 -0.00343945 0.03542394
7.50494227 16.97369364 -8.22067616
-0.00008942 -0.00003589 0.00047088
-0.00845431 -0.00324885 -0.00061449
7.88058579 7.22792239 -22.57173320
0.00021271 -0.00009959 0.00025069
0.02126244 0.00456605 -0.02233607
8.16975865 7.33122811 -19.73490864
-0.00012020 0.00005231 -0.00006249
0.01071471 0.00535210 0.00575135
22.04250580 17.65085497 -1.83398923
-0.00076506 0.00100469 -0.00062936
0.00466755 -0.00439824 -0.00489985
24.31272046 18.50272452 -3.46176491
0.00039225 -0.00081353 0.00056107
0.00156891 0.00116973 -0.00613169
0.80844275 11.18021719 -21.96059696
0.00059092 -0.00095739 0.00021461
0.00463948 0.00370518 0.00992881
1.18411288 14.06225694 -22.44754857
-0.00071354 0.00060379 0.00060415
-0.00153953 0.00150722 0.00053315
10.06074512 -5.38163584 -1.55761998
-0.00066811 -0.00009317 0.00017576
-0.00274123 -0.06941497 0.00625806
8.67145841 -2.96565106 -1.27545898
-0.00047993 0.00118023 -0.00058896
-0.01059142 0.00928599 -0.00706160
-19.12640934 -4.03312639 5.03245712
0.00060125 -0.00054897 -0.00041558
-0.01330397 -0.01062801 0.00763797
-17.55717603 -3.10088535 2.87827527
0.00056338 -0.00053883 -0.00005956
-0.00045317 0.00154881 0.00044838
-15.05366022 -0.12563977 16.90543184
-0.00063883 0.00033912 -0.00053118
-0.00313479 0.00015620 -0.00125740
-14.16582283 1.58051213 18.96299410
0.00083654 -0.00007851 -0.00002479
0.00181219 -0.00529558 0.00203875
3.02641136 3.70699463 -4.54287326
0.00046137 -0.00048653 -0.00050508
0.00254914 -0.00651199 0.00943723
4.25074386 1.47892169 -2.85335095
-0.00073105 -0.00143203 -0.00045642
-0.01914974 0.01756512 -0.01536763
22.95183670 -9.37652506 -10.23133686
-0.00011123 -0.00036788 0.00015221
0.00071633 0.01305382 0.00215465
25.06775331 -7.90293989 -8.77548250
-0.00056052 -0.00042540 -0.00010479
-0.02782774 0.01117380 -0.00738581
1.82085092 -8.05336742 4.82841546
0.00093066 -0.00032317 0.00100894
-0.00490743 -0.00976285 0.00239833
2.84008623 -7.20658298 7.37624497
-0.00001752 -0.00026205 0.00047095
-0.02259216 -0.02042024 -0.00226657
-4.34910449 -3.13118199 -17.60407971
0.00055053 0.00050755 0.00013449
0.00354337 0.02945890 -0.00619900
-4.83735578 -0.20351660 -17.34619330
0.00060563 0.00017852 0.00083011
-0.01189653 -0.00682980 0.00707712
2.32046056 5.06073776 -12.08490323
-0.00098292 -0.00077732 0.00007521
0.03036714 -0.01170174 0.01361007
2.05428068 3.46603380 -9.85982515
-0.00001091 0.00006386 0.00039691
0.00566460 -0.00139749 0.01009918
-1.43841586 15.57217409 13.48215715
0.00082241 0.00050782 0.00033798
0.00164081 0.02039306 0.00427799
-2.75786886 17.13391398 15.66019073
0.00113015 -0.00041561 -0.00062655
0.00065595 -0.00362072 -0.02501717
-1.90574265 0.86082122 -5.72216145
0.00045430 0.00020159 -0.00056925
0.00740420 -0.01541194 0.03060729
-3.11094292 1.04636863 -8.17877069
0.00078767 -0.00059326 -0.00012694
-0.02457268 -0.01805331 -0.03740662
-7.96537342 -3.02723521 -5.20709475
0.00047815 0.00060234 0.00016084
0.01579950 0.02757390 0.01924649
-7.14498315 -0.22537878 -4.15480563
-0.00057878 -0.00027266 0.00001690
-0.00283730 -0.01744628 -0.00356575
1.45078196 28.70994693 5.85828022
-0.00091747 -0.00042086 0.00055327
0.00326800 -0.00516818 0.00454806
-1.22719054 28.18239391 6.22227270
0.00106387 0.00082781 0.00104675
-0.02513139 -0.00048030 -0.00080962
8.28327282 -9.18589798 -2.01394465
-0.00013122 -0.00016964 0.00012842
-0.01363009 0.00298136 -0.00925003
9.95882570 -9.72839689 0.33139293
-0.00044385 -0.00102825 -0.00002586
0.00429717 0.01042151 -0.02464501
-5.55739399 -0.33168137 8.83151552
0.00105732 0.00023986 0.00020112
-0.00376216 0.01261568 0.00060318
-8.26330257 -0.69589223 8.02059436
-0.00042140 0.00079724 -0.00016129
0.00039658 0.00812163 -0.00460800
19.73871359 11.43150352 7.53977375
0.00031089 0.00004162 -0.00094514
0.01922816 -0.00119836 0.01784738
19.45800016 12.79879933 4.95223406
0.00025415 -0.00015171 0.00090518
-0.00303896 -0.00532862 0.02089328
-3.63286814 -3.25047222 -21.56325588
0.00107646 0.00028640 -0.00122678
-0.00447581 0.00999397 -0.02926288
-4.45420138 -3.47914406 -24.66439591
-0.00035251 0.00038970 0.00024804
0.00263523 0.00663283 0.03064523
-12.64941195 9.01364696 9.46610471
0.00048446 0.00064257 -0.00067677
-0.00205108 -0.00141071 -0.00413482
-13.11991599 9.08528747 6.55538237
0.00002296 -0.00033329 0.00005710
0.00249701 -0.00298862 0.00784605
-12.67005053 7.37448513 -4.14490394
0.00003839 -0.00016016 -0.00019247
0.00988315 0.00871054 0.00538573
-11.47638376 9.40739106 -2.35661769
0.00012287 -0.00088751 -0.00020051
0.00548279 0.03879345 -0.00075236
-4.68941919 -17.06808415 20.21876592
-0.00109935 -0.00116361 0.00038087
0.01553454 0.01407946 -0.00367046
-1.82120085 -17.51249144 20.01490946
0.00035678 -0.00005116 -0.00031500
-0.01467199 0.02127080 0.00160130
-3.13352767 5.45274410 -6.97115484
-0.00127524 0.00041270 0.00054581
0.00317296 0.00662832 -0.00545654
-3.54997161 8.53101793 -7.00058039
0.00004116 -0.00013115 -0.00002674
0.01313480 -0.04574666 -0.02193217
-20.91097184 28.57887519 -0.09740299
0.00018539 -0.00051504 0.00013777
-0.01350090 -0.00691990 -0.01155898
-18.92283292 29.22357459 1.54311167
0.00024749 -0.00064415 0.00001510
0.05331162 0.00262384 0.01234470
8.71867468 2.77946148 6.14400733
0.00146286 0.00007438 0.00051821
-0.00425958 -0.00837059 -0.00368588
8.85866201 5.04469170 7.86522025
0.00028029 -0.00082010 -0.00060849
0.02355772 -0.02020873 0.00336703
6.95157997 14.37989441 -15.13080043
0.00032529 0.00096339 -0.00011335
0.00840322 -0.00341348 -0.02828548
5.72764618 12.44681530 -13.16857005
0.00026351 -0.00059023 0.00034271
0.02216393 0.05273739 -0.01538404
13.27722430 5.28033608 -3.77440710
0.00004150 -0.00020786 0.00101407
0.01039258 -0.01555883 0.01662192
13.70347824 4.03214348 -1.22316297
0.00015170 0.00059271 0.00014389
-0.02623645 0.00256619 0.05269537
-5.73031495 9.66595116 0.26806033
0.00012282 0.00073988 -0.00036375
0.00479091 -0.01346324 0.00403014
-7.67917418 11.76536597 0.60749019
-0.00072339 -0.00126322 -0.00047446
0.00058019 -0.01115556 -0.00926184
4.48704568 12.77041366 2.18741540
0.00015388 0.00026769 0.00006250
-0.00511985 -0.01338670 -0.00797734
7.30475225 11.62195482 2.98910847
0.00089048 -0.00003493 -0.00098509
-0.04166861 0.03574500 0.00234150
20.31923108 -13.07940171 -10.72943469
0.00079132 0.00105877 -0.00019052
-0.00714808 -0.01338081 0.01059971
22.40132776 -13.54057040 -12.66883121
-0.00084545 0.00011312 -0.00006009
0.00235258 -0.01599919 -0.01625819
17.61155523 -6.54293285 1.68491307
0.00124402 0.00000316 0.00021017
-0.01084904 0.01308461 0.02378309
15.74390460 -7.86123892 3.22387230
0.00144395 -0.00017086 -0.00049625
-0.01877857 -0.01768107 0.01226086
14.04222508 8.51051035 10.58751690
0.00001442 -0.00027595 0.00046663
-0.02480339 0.02147181 0.00991836
16.24060095 6.99224319 11.53230916
0.00070634 -0.00053955 -0.00032524
0.00136951 -0.00393415 -0.00573112
3.02313492 -13.76160712 14.78982557
-0.00046202 0.00055086 -0.00027666
-0.00207674 0.01939305 -0.01061339
4.04231225 -12.53029832 17.55490322
-0.00048470 0.00025818 0.00033867
-0.00947571 -0.00048355 -0.03010354
-3.27703279 -2.41687706 -10.05514337
0.00013874 -0.00061864 -0.00052955
-0.00566217 0.02086342 -0.00617823
-1.99544374 -0.30142030 -11.52446801
0.00027538 -0.00045965 0.00002055
0.03320568 0.01004629 -0.01805635
14.86143162 -7.78587006 -11.36926359
0.00019398 0.00077347 0.00012609
-0.00387097 -0.01394774 0.03974492
16.66638364 -6.87171418 -9.23621074
-0.00028844 -0.00034167 0.00074261
0.01066141 0.00324781 0.01135218
6.95155775 -2.76935345 6.19906778
-0.00030773 -0.00019204 0.00078024
-0.02587685 0.00805608 -0.01369052
9.61031124 -2.66380962 4.86990714
0.00079342 -0.00094649 0.00062504
0.00348621 -0.00078354 -0.00457586
-21.89181375 1.87710786 22.86426693
-0.00013173 -0.00088194 -0.00089631
0.00879750 -0.00329575 0.01326519
-22.53232993 0.46263571 25.33477245
-0.00053838 -0.00000776 0.00042042
0.00211987 0.00254366 -0.00770333
25.44730049 -3.08574172 -7.54189299
-0.00025437 0.00054401 -0.00025388
0.00640681 0.00445320 0.01005498
23.68593939 -0.86246977 -7.46869214
0.00001637 0.00062205 0.00044792
-0.00328248 0.00425970 0.00690394
10.66114037 -12.59593635 -8.56072588
0.00139332 -0.00038575 0.00002963
0.01080716 0.00791812 -0.00929548
12.69689119 -10.40630694 -9.60329347
-0.00069827 -0.00031197 0.00010244
-0.00865461 -0.00768887 0.00677904
-5.64085859 -10.44836317 18.29628386
0.00037575 0.00008711 0.00024681
-0.00014675 -0.00914329 0.03509647
-6.37250597 -9.63006393 15.74159718
0.00039377 -0.00032530 -0.00013496
0.03827039 -0.01156887 0.00398473
8.65535496 0.81493402 -31.46153184
-0.00015009 0.00037623 -0.00047956
0.00325104 -0.00198221 -0.00975782
6.28099980 2.48577175 -30.95589115
-0.00007395 0.00013815 -0.00044960
0.00470076 -0.00706996 -0.00490118
11.07418561 18.84133965 13.61138772
0.00091333 -0.00064994 -0.00058999
-0.00068731 -0.02573230 0.01784181
12.16143673 16.21050488 14.52846113
0.00027455 -0.00085390 0.00029901
-0.00228203 0.00145099 -0.00817806
30.37301142 5.58670171 -8.30587351
0.00014212 -0.00007886 0.00023749
0.00751507 -0.00359879 0.00094266
28.92151199 7.95789951 -7.16532595
0.00011448 0.00016468 0.00002567
0.05068085 -0.02317272 -0.01564588
-8.36655045 4.99469217 5.69108593
-0.00012740 -0.00020530 -0.00014550
0.00326065 0.00090677 0.00952616
-10.77979419 10.11974095 3.51679966
0.00003760 0.00004569 -0.00014602
0.00156293 0.00242930 0.00216915
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07812150
0.28244660
376.34592940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.506 s
total exchange = -52.3633510256 (a.u.)
total exchange computation time: 2.7599110603 s
-154.1043259360
-931.36325198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.504 s
total exchange = -52.3630204313 (a.u.)
total exchange computation time: 2.7562959194 s
-154.1077794347
Anderson extrapolation: theta=1.3349284410 (1.3349284410)
-931.36351846
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.504 s
total exchange = -52.3625205306 (a.u.)
total exchange computation time: 2.7587380409 s
-154.1126303236
Anderson extrapolation: theta=0.0503923901 (0.0503923901)
-931.36367647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.503 s
total exchange = -52.3624436153 (a.u.)
total exchange computation time: 2.7567980289 s
-154.1131567290
Anderson extrapolation: theta=1.8747433320 (1.8747433320)
-931.36368235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.503 s
total exchange = -52.3622768233 (a.u.)
total exchange computation time: 2.7549829483 s
-154.1142172911
Anderson extrapolation: theta=0.2229496124 (0.2229496124)
-931.36368839
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.504 s
total exchange = -52.3622299876 (a.u.)
total exchange computation time: 2.7581219673 s
-154.1144478456
Anderson extrapolation: theta=1.8725537909 (1.8725537909)
-931.36368958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.503 s
total exchange = -52.3621538159 (a.u.)
total exchange computation time: 2.7559890747 s
-154.1147456728
Anderson extrapolation: theta=0.2890905521 (0.2890905521)
-931.36369113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.502 s
total exchange = -52.3621451037 (a.u.)
total exchange computation time: 2.7573521137 s
-154.1146981208
Anderson extrapolation: theta=1.2768126685 (1.2768126685)
-931.36369152
-212.446708 122.823822 9.127104
565.206216 1067.075033 -419.666591
352.759509 1189.898856 -410.539487
1307.226541
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.502 s
total exchange = -52.3621450870 (a.u.)
total exchange computation time: 2.7568819523 s
678.69603955
-1083.55423236
89.85946776
-389.21412133
-174.78870038
78.13826811
551.60419304
0.00000000
-931.36369184
5.64659627 -31.13102868 -3.90381959
0.00008205 -0.00020190 0.00033290
-0.03059026 0.01092641 0.00318733
-11.66328599 -1.02885993 -11.86385052
-0.00031420 -0.00002544 -0.00004593
0.00419936 -0.02130958 0.01962233
-38.07222527 2.31779566 3.47877030
0.00004742 0.00010662 -0.00022141
0.00245087 -0.00156403 -0.01475342
-9.26608661 -2.77201433 2.66341215
-0.00057870 -0.00011043 -0.00014168
-0.05743327 0.04413143 -0.01352999
0.56179525 -0.11617079 8.95520228
0.00019535 -0.00018478 0.00026821
0.01317493 0.00146476 -0.00174171
-32.37572787 2.71155853 1.98294881
-0.00001450 0.00020760 -0.00040644
-0.02733758 0.01304178 0.00545848
13.86207276 13.47071784 -14.23081836
0.00010470 0.00010183 -0.00037849
-0.07323678 0.00136588 0.00523220
-3.79757828 7.05559237 4.26590404
-0.00042747 0.00000374 -0.00010830
-0.02755488 -0.00309292 0.02567630
5.69096815 16.68967838 -8.60687283
0.00014167 0.00001121 0.00013144
0.01228175 0.00033567 -0.03070932
6.98851830 6.94994421 -21.04379138
-0.00027893 0.00045875 -0.00000657
-0.03430719 -0.01333246 0.01759755
23.70996879 17.08523826 -2.46452218
-0.00038017 0.00003811 0.00026882
-0.00982277 -0.00380597 0.01429811
1.32801651 12.76576786 -21.15528737
0.00008399 0.00021498 0.00023516
-0.00623598 -0.00576802 -0.01301780
10.23395752 -3.68159616 -1.82461904
0.00037453 0.00015991 0.00003649
0.00900490 0.05536918 0.00596257
-18.08247262 -2.64473965 4.56995642
0.00041621 0.00012731 0.00032796
-0.00047263 0.00321317 -0.01425003
-15.16624063 0.06724119 18.72120372
-0.00028495 0.00008017 -0.00020655
0.00775998 0.00933814 0.00963937
2.79215633 2.70276829 -3.02358647
0.00003162 0.00009025 0.00016101
0.00313434 -0.00231807 0.00758434
23.35470996 -7.67138663 -9.52964869
0.00009066 -0.00005253 -0.00004042
0.02528212 -0.04016534 -0.00453798
1.32937452 -8.04072585 6.59784833
0.00012532 -0.00001821 0.00019270
0.02485188 0.02626386 0.00376156
-3.88433414 -1.43294847 -18.29826251
0.00001846 0.00038906 0.00022437
0.02035601 -0.02618695 -0.00449828
3.45964737 4.19284651 -10.79019733
-0.00017054 0.00020082 0.00016640
-0.04391775 0.01031348 -0.02131061
-2.68240056 16.97714222 13.79944171
0.00003621 -0.00018201 0.00015640
-0.00792016 -0.00432653 0.01910350
-2.14573645 2.00454050 -7.04654021
-0.00027615 0.00016061 -0.00007750
0.02333251 0.04149976 0.01732616
-6.62473413 -2.00476726 -4.33852012
-0.00013868 -0.00014220 -0.00014016
-0.01104032 -0.00546599 -0.01346023
0.31046236 28.14658054 7.18370206
0.00001775 0.00009560 0.00006889
0.03204263 0.00369548 0.01192498
10.01147785 -9.10470485 -1.45882370
0.00007145 0.00003981 -0.00006198
0.01428571 -0.01262952 0.03411402
-6.78757582 0.30674255 7.56426186
-0.00020394 0.00007074 0.00003120
0.00493249 -0.00808582 0.01068961
18.56875740 11.79241843 6.23975088
0.00001831 -0.00009837 0.00024546
-0.01494248 0.00928409 -0.03935549
-3.26746562 -3.97411056 -23.25485442
-0.00002302 0.00003478 0.00000863
0.00226263 -0.00800877 -0.00335971
-13.65424505 8.23730392 8.11720190
0.00001981 0.00000336 0.00033353
-0.00412395 0.00783511 0.00289048
-11.80315876 7.67182898 -2.52794257
-0.00043197 -0.00023817 -0.00011740
-0.01544108 -0.04875035 -0.01670112
-3.05256781 -16.14529033 20.39543924
-0.00031401 -0.00005272 0.00002695
-0.00620621 -0.04082111 -0.00291590
-3.03426740 6.93879251 -8.06053907
-0.00027494 -0.00012415 0.00020826
-0.02428254 0.04733162 0.02736374
-20.65783743 29.47219895 1.44268996
-0.00020858 0.00016510 -0.00005907
-0.03030371 0.00931148 -0.00305347
9.76261191 3.35829983 7.52213213
-0.00006280 -0.00021860 -0.00003649
-0.01111866 0.02848900 0.00776004
6.35033422 14.28498914 -13.45300321
0.00007808 0.00039983 0.00054841
-0.02942952 -0.04874212 0.03722083
14.18515745 3.90372616 -2.88527035
-0.00015277 -0.00021502 -0.00005889
0.01883801 0.00482714 -0.06083378
-6.39220990 11.11723109 -0.54653931
0.00021475 -0.00020464 0.00011502
-0.01005051 0.02711502 0.00004302
5.97117630 13.03381294 3.20490633
0.00015526 0.00024134 -0.00009632
0.05377846 -0.02398087 0.00892355
21.82761409 -12.37880837 -11.43017675
0.00011188 0.00006780 -0.00027006
0.01195059 0.03678817 0.00346586
16.66716087 -6.33881651 3.34243966
-0.00011549 0.00006338 0.00023944
0.03634432 0.00340411 -0.04676768
15.20733982 7.28588829 10.03244291
0.00011534 -0.00007115 -0.00024575
0.02535036 -0.02371078 -0.00717343
3.17602157 -13.85698123 16.57127637
-0.00027041 0.00008316 -0.00013383
0.01199329 -0.01551298 0.03506282
-3.55226626 -0.64605118 -10.72830908
-0.00003714 -0.00029910 0.00003157
-0.03436107 -0.04496379 0.01757481
15.22738149 -7.98023562 -9.44237869
0.00036157 0.00002443 -0.00019010
-0.02242560 0.01243938 -0.04848633
8.68214221 -3.18303596 6.33147590
0.00031698 -0.00027256 -0.00016346
0.02419018 -0.01769176 0.02181913
-21.29628434 1.61118744 24.59522097
-0.00015593 0.00005504 -0.00006440
-0.01433247 -0.00574970 -0.01196312
24.93597095 -1.68595974 -6.42790690
-0.00002200 -0.00008404 -0.00007803
-0.00238484 -0.00882396 -0.01728763
11.55633949 -11.80009672 -9.98611856
0.00021158 -0.00002396 0.00007352
-0.00391053 -0.00280437 -0.00693907
-4.84551690 -10.24126678 16.71057149
-0.00010346 0.00005380 -0.00026066
-0.02735739 0.01072206 -0.03455518
7.94086511 2.03192359 -30.29965472
0.00045192 0.00049182 -0.00031965
-0.01247421 0.00728356 0.00074913
10.82066883 17.42027844 14.86568859
-0.00007390 -0.00044162 -0.00003847
0.00972637 0.02566672 -0.02455411
30.70865559 7.28941949 -7.70687365
-0.00007197 -0.00005612 -0.00003994
-0.05871257 0.02405483 0.02811398
5.82541310 -30.07123168 -5.42064331
-0.00043247 0.00037788 -0.00007393
-0.00235172 -0.00551730 0.00968839
4.12049020 -30.43939025 -3.01334261
-0.00047641 -0.00086900 -0.00042529
0.02383137 -0.00404381 -0.01735850
-12.30814419 -2.40777122 -12.94466218
-0.00000193 -0.00033466 -0.00033291
0.00048126 0.01118828 -0.00293585
-11.97752578 0.47470109 -12.83168004
0.00075997 0.00106142 0.00006046
-0.00204053 0.01618871 -0.00808364
-38.24383716 3.46714543 2.05985641
0.00111493 -0.00041024 0.00052216
0.00735627 0.01234762 0.00483705
-39.57463567 1.32246025 3.20305344
-0.00005365 0.00026747 0.00030767
-0.00715910 -0.00681129 0.01006691
-10.20220767 -2.94806014 1.04840733
0.00039209 -0.00014139 -0.00137298
0.00564682 -0.00230869 0.00585543
-7.99381268 -3.94571941 2.52877018
0.00028944 0.00049081 0.00129845
0.04200254 -0.03718292 0.00295060
0.04062104 -0.14123026 7.20634099
-0.00004904 -0.00014825 -0.00095689
0.00621596 0.00296402 0.00288410
2.06298146 0.94784873 9.11107078
-0.00022801 0.00008154 -0.00083888
-0.00962527 -0.00362458 -0.00627747
-31.65318438 1.05484507 2.00013746
-0.00060202 -0.00052587 0.00119223
0.00185044 -0.01640501 0.00332294
-34.22818995 2.48116898 2.29713923
-0.00057991 0.00084567 0.00028647
0.02885130 0.00030302 -0.00591798
12.43422213 12.75863247 -15.31573445
0.00035165 0.00037664 0.00085644
0.03894687 0.01450488 0.02136292
15.39497974 13.31996359 -15.05770591
0.00070660 0.00033802 -0.00002125
0.03773359 -0.01397754 -0.02575280
-3.84012284 8.86715235 4.55365625
0.00011036 0.00046896 -0.00052092
-0.00381219 0.00742106 0.01626243
-2.78729696 6.93560859 2.84421955
-0.00051087 0.00043826 -0.00149426
0.02655717 -0.01215614 -0.04388118
5.66596969 16.51898281 -10.51595346
0.00007191 -0.00015699 0.00057831
0.00337188 -0.00356354 0.03357236
7.50334196 16.97305572 -8.21363183
-0.00012164 -0.00004873 0.00046800
-0.00731746 -0.00303781 -0.00079332
7.88442805 7.22656842 -22.56865726
0.00029918 -0.00008114 0.00015855
0.02106272 0.00446749 -0.02277003
8.16828395 7.33217669 -19.73566980
-0.00007677 0.00007432 -0.00003836
0.01054514 0.00542547 0.00606421
22.03117298 17.66579062 -1.84357977
-0.00074269 0.00098461 -0.00064992
0.00628005 -0.00543275 -0.00516630
24.31865224 18.49055735 -3.45353668
0.00040166 -0.00080262 0.00053175
0.00303903 0.00417394 -0.00822207
0.81744866 11.16596985 -21.95707361
0.00061296 -0.00093105 0.00025942
0.00614935 0.00918853 0.01200712
1.17336259 14.07136003 -22.43846994
-0.00071969 0.00060776 0.00060631
-0.00147114 0.00043361 0.00052178
10.05063953 -5.38516050 -1.55479179
-0.00067932 -0.00036622 0.00020011
-0.00274842 -0.06424433 0.00566215
8.66393490 -2.94766309 -1.28450978
-0.00050890 0.00121136 -0.00062270
-0.00358797 0.00595222 -0.00945607
-19.11779823 -4.04168666 5.02645754
0.00054881 -0.00058884 -0.00038403
-0.01236830 -0.00888950 0.00780156
-17.54873920 -3.10892029 2.87739566
0.00056036 -0.00052897 -0.00005021
-0.00102787 0.00327668 0.00412460
-15.06333868 -0.12054819 16.89742561
-0.00065127 0.00034034 -0.00053237
-0.00295695 0.00043922 0.00067308
-14.15321919 1.57917221 18.96268477
0.00083904 -0.00010635 -0.00001766
-0.00058831 -0.00833020 0.00144959
3.03341004 3.69949721 -4.55016022
0.00047067 -0.00051501 -0.00046305
0.00200396 -0.00743068 0.01113659
4.23919129 1.45797953 -2.86066817
-0.00081027 -0.00135702 -0.00051851
-0.01962709 0.01915280 -0.01502349
22.95019024 -9.38164332 -10.22898761
-0.00010822 -0.00031169 0.00016149
0.00075676 0.01445441 0.00238430
25.05849282 -7.90897846 -8.77728070
-0.00066674 -0.00037999 -0.00013171
-0.02416928 0.01105598 -0.00579280
1.83466037 -8.05851410 4.84362310
0.00091225 -0.00036363 0.00100964
-0.00409984 -0.01004478 -0.00205932
2.83913109 -7.21113952 7.38323971
-0.00010847 -0.00034445 0.00046337
-0.02192654 -0.01991106 -0.00144424
-4.34073801 -3.12266608 -17.60225224
0.00056385 0.00062426 0.00011044
0.00298057 0.02767368 -0.00557598
-4.82863587 -0.20104814 -17.33352482
0.00055570 0.00015209 0.00085973
-0.01254497 -0.00610716 0.00742273
2.30664727 5.04871940 -12.08335796
-0.00085755 -0.00082384 0.00013061
0.03100195 -0.01107253 0.01350763
2.05429054 3.46694887 -9.85356196
0.00001315 0.00005815 0.00043842
0.00611678 -0.00139843 0.01021728
-1.42602941 15.58041632 13.48735797
0.00082879 0.00058982 0.00035321
0.00147911 0.01974596 0.00317821
-2.74089657 17.12756886 15.65002583
0.00113086 -0.00042798 -0.00071623
-0.00030699 -0.00243247 -0.01888226
-1.89870126 0.86337282 -5.72976235
0.00048568 0.00013605 -0.00044031
0.00795529 -0.01667094 0.03251270
-3.09988088 1.03691652 -8.18182110
0.00068661 -0.00066739 -0.00028079
-0.02489729 -0.01823490 -0.03790039
-7.95771704 -3.01735515 -5.20409239
0.00053413 0.00070681 0.00023375
0.01160322 0.02356682 0.01644295
-7.15375180 -0.23000330 -4.15466136
-0.00058928 -0.00034354 0.00000277
-0.00230340 -0.01725142 -0.00335429
1.43712002 28.70347560 5.86671869
-0.00089156 -0.00043677 0.00056028
0.00941662 -0.00262015 -0.00111823
-1.21200255 28.19479629 6.23794907
0.00094085 0.00082521 0.00103260
-0.03508752 -0.00079184 -0.00611542
8.28088690 -9.18835123 -2.01230180
-0.00018427 -0.00015704 0.00009049
-0.01233841 0.00318793 -0.00931515
9.95229968 -9.74350130 0.33024985
-0.00042466 -0.00098343 -0.00012989
0.00509347 0.01151628 -0.02628103
-5.54164946 -0.32769692 8.83455080
0.00103227 0.00029333 0.00019762
-0.00849871 0.01355848 -0.00231480
-8.26961135 -0.68368473 8.01803380
-0.00042101 0.00082717 -0.00017757
-0.00020788 0.00652834 -0.00336270
19.74396614 11.43209113 7.52614358
0.00039594 0.00003334 -0.00086236
0.02240341 -0.00285746 0.02267543
19.46171934 12.79636044 4.96645192
0.00024300 -0.00016996 0.00098482
-0.00242191 -0.00360790 0.01809184
-3.61685839 -3.24586999 -21.58255433
0.00105459 0.00033264 -0.00133092
-0.00622806 0.01264235 -0.02171266
-4.45940828 -3.47309526 -24.65973626
-0.00034081 0.00041606 0.00037279
0.00309376 0.00626998 0.03042095
-12.64220797 9.02324223 9.45582651
0.00047697 0.00063690 -0.00069011
-0.00161390 -0.00136125 -0.00239474
-13.11949512 9.08019653 6.55647924
0.00003203 -0.00034607 0.00008911
0.00194499 -0.00326827 0.00782262
-12.66917186 7.37234966 -4.14762595
0.00007734 -0.00012503 -0.00017264
0.00918482 0.00848325 0.00432235
-11.47437277 9.39526722 -2.35964833
0.00014722 -0.00072037 -0.00020281
0.00643916 0.04301856 -0.00037702
-4.70543341 -17.08510691 20.22436657
-0.00102385 -0.00109966 0.00036642
0.02142136 0.01722511 -0.00340651
-1.81629875 -17.51260709 20.01023352
0.00029229 0.00003962 -0.00030716
-0.01689775 0.02316968 0.00223471
-3.15255904 5.45913778 -6.96313482
-0.00126187 0.00043734 0.00052442
0.00337363 0.00543136 -0.00501761
-3.54895170 8.52764885 -7.00165361
0.00009382 -0.00031556 -0.00011547
0.01264316 -0.04452048 -0.02150092
-20.90860469 28.57093761 -0.09569062
0.00012984 -0.00054224 0.00009232
-0.01369147 -0.00639552 -0.01068804
-18.91748691 29.21399280 1.54371641
0.00045268 -0.00063140 0.00006531
0.04713134 0.00361580 0.01223629
8.74048701 2.78032061 6.15166753
0.00143326 0.00003205 0.00048665
-0.01022800 -0.01234625 -0.01176407
8.86358830 5.03177099 7.85619608
0.00037285 -0.00089576 -0.00059176
0.02174817 -0.01682987 0.00482461
6.95671678 14.39424068 -15.13336748
0.00035482 0.00094811 -0.00021560
0.00605308 -0.00406746 -0.02176617
5.73227800 12.43957790 -13.16390087
0.00035605 -0.00036813 0.00027864
0.02313556 0.05597946 -0.01597733
13.27816526 5.27674146 -3.75868676
0.00008016 -0.00026514 0.00107535
0.00853277 -0.01248387 0.01337494
13.70494972 4.04111280 -1.21938989
0.00004715 0.00060142 0.00035470
-0.02494202 0.00169848 0.05049627
-5.72832585 9.67663677 0.26272761
0.00014956 0.00067009 -0.00033958
0.00829779 -0.02069951 0.00779837
-7.69000721 11.74607577 0.60008943
-0.00072194 -0.00130734 -0.00051137
0.00012788 -0.01044046 -0.00880475
4.48919704 12.77401879 2.18810842
0.00013168 0.00021303 0.00002875
-0.00574795 -0.01337134 -0.00854373
7.31683255 11.62252619 2.97440392
0.00071572 0.00011560 -0.00097343
-0.04387592 0.03793869 0.00336270
20.33088178 -13.06393015 -10.73196763
0.00074881 0.00099903 -0.00014108
-0.01365922 -0.01586537 0.01359850
22.38871815 -13.53936385 -12.67023077
-0.00083257 0.00004308 -0.00013158
0.00395084 -0.01828574 -0.01873595
17.62988311 -6.54248447 1.68879436
0.00119534 0.00005851 0.00031328
-0.01297944 0.01401043 0.02668957
15.76498836 -7.86434367 3.21680431
0.00136165 -0.00025168 -0.00044663
-0.02150598 -0.02188137 0.01202923
14.04168136 8.50702908 10.59482032
-0.00008416 -0.00019081 0.00050646
-0.02345087 0.02020349 0.00957779
16.25123799 6.98402942 11.52725489
0.00070889 -0.00055431 -0.00035232
-0.00012053 -0.00329352 -0.00752088
3.01614100 -13.75275001 14.78535044
-0.00047006 0.00062991 -0.00031637
-0.00186051 0.01930288 -0.00882597
4.03475136 -12.52644043 17.55906084
-0.00052457 0.00025392 0.00021382
-0.01003926 -0.00160181 -0.03101332
-3.27512517 -2.42551735 -10.06327594
0.00011470 -0.00053276 -0.00055402
-0.00610644 0.02117402 -0.00580144
-1.99029546 -0.30800715 -11.52471299
0.00040648 -0.00041896 -0.00005100
0.03096445 0.00987024 -0.01696909
14.86422277 -7.77469534 -11.36615441
0.00017861 0.00071617 0.00028669
-0.00365546 -0.01410505 0.03887136
16.66238367 -6.87673968 -9.22472376
-0.00023809 -0.00032322 0.00078909
0.01398810 0.00578271 0.01140298
6.94614879 -2.77198717 6.21035192
-0.00040183 -0.00016084 0.00072299
-0.02018485 0.00721755 -0.01433424
9.62231944 -2.67803096 4.87914245
0.00081095 -0.00094633 0.00059732
0.00509129 0.00086133 -0.00899002
-21.89352012 1.86377773 22.85122879
-0.00009325 -0.00089628 -0.00083395
0.01003985 -0.00372201 0.01725809
-22.54034061 0.46259727 25.34084271
-0.00052545 0.00000688 0.00038570
0.00420567 0.00462167 -0.00929125
25.44368129 -3.07744518 -7.54539301
-0.00022681 0.00055769 -0.00021637
0.00708285 0.00224306 0.00830674
23.68608440 -0.85300851 -7.46176185
0.00000334 0.00063909 0.00047591
-0.00309954 0.00408228 0.00680012
10.68237136 -12.60148001 -8.56056627
0.00143341 -0.00035600 -0.00000411
0.00881792 0.00664745 -0.00722127
12.68615199 -10.41122204 -9.60154914
-0.00072588 -0.00033465 0.00013189
-0.00486213 -0.00341642 0.00763710
-5.63522691 -10.44733664 18.30106146
0.00037686 0.00005079 0.00038480
0.00069053 -0.00863764 0.03245010
-6.36542675 -9.63529788 15.73969486
0.00054387 -0.00037037 -0.00012120
0.03520765 -0.01049310 0.00275378
8.65320323 0.82051678 -31.46902424
-0.00013550 0.00036697 -0.00051952
0.00388924 -0.00255167 -0.00980081
6.28003460 2.48762734 -30.96278537
-0.00004941 0.00010868 -0.00046690
0.00731262 -0.00735346 -0.00356778
11.08786451 18.83080204 13.60308467
0.00090868 -0.00075675 -0.00051464
-0.00158945 -0.02655280 0.01903936
12.16548501 16.19774082 14.53269572
0.00026026 -0.00084384 0.00026737
-0.00470980 0.00347626 -0.00730993
30.37537358 5.58540852 -8.30228222
0.00017207 -0.00009491 0.00024091
0.00714413 -0.00425878 0.00072835
28.92478222 7.95965964 -7.16542031
0.00032007 0.00007001 -0.00003823
0.04995622 -0.02316869 -0.01563409
-8.36845271 4.99161511 5.68892903
-0.00012617 -0.00020495 -0.00014209
0.00359620 0.00106513 0.00951191
-10.77922741 10.12043051 3.51461318
0.00003794 0.00004622 -0.00014553
0.00137116 0.00214180 0.00204556
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07816358
0.28552826
380.45209394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.412 s
total exchange = -52.3643301776 (a.u.)
total exchange computation time: 2.7565240860 s
-154.1159876242
-931.36780177
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.412 s
total exchange = -52.3639955924 (a.u.)
total exchange computation time: 2.7558841705 s
-154.1194664329
Anderson extrapolation: theta=1.3349408226 (1.3349408226)
-931.36805578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.413 s
total exchange = -52.3634864989 (a.u.)
total exchange computation time: 2.7562639713 s
-154.1243561482
Anderson extrapolation: theta=0.0497128070 (0.0497128070)
-931.36820594
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3634064714 (a.u.)
total exchange computation time: 2.7571799755 s
-154.1248876662
Anderson extrapolation: theta=1.8843842425 (1.8843842425)
-931.36821144
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.413 s
total exchange = -52.3632318122 (a.u.)
total exchange computation time: 2.7584450245 s
-154.1259713338
Anderson extrapolation: theta=0.2194654912 (0.2194654912)
-931.36821711
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3631830190 (a.u.)
total exchange computation time: 2.7569999695 s
-154.1262074759
Anderson extrapolation: theta=1.8972600494 (1.8972600494)
-931.36821821
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.412 s
total exchange = -52.3631021916 (a.u.)
total exchange computation time: 2.7566330433 s
-154.1265186759
Anderson extrapolation: theta=0.2851250599 (0.2851250599)
-931.36821967
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3630927473 (a.u.)
total exchange computation time: 2.7573518753 s
-154.1264710258
Anderson extrapolation: theta=1.2914696488 (1.2914696488)
-931.36822003
-212.402212 122.768467 9.097604
565.254041 1067.053825 -419.646498
352.851829 1189.822292 -410.548894
1307.184721
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3630919995 (a.u.)
total exchange computation time: 2.7584910393 s
678.70041809
-1083.57962488
89.86380314
-389.19847837
-174.79124631
78.15411521
551.60419304
0.00000000
-931.36822033
5.64770908 -31.13401497 -3.89881375
0.00006647 -0.00019573 0.00033344
-0.03002718 0.01307016 -0.00109463
-11.66798275 -1.02932369 -11.86446384
-0.00031226 -0.00003551 -0.00003656
0.00335137 -0.01786664 0.01683586
-38.07150447 2.31938887 3.47539225
0.00004910 0.00010472 -0.00022736
0.00408780 -0.00580078 -0.00838147
-9.27498868 -2.77350051 2.66123471
-0.00060813 -0.00008816 -0.00014939
-0.05698554 0.04247321 -0.01644652
0.56477638 -0.11893686 8.95921873
0.00020106 -0.00018428 0.00026477
0.00901979 0.00047092 -0.01164896
-32.37605079 2.71472291 1.97687322
-0.00002897 0.00021336 -0.00040337
-0.02892503 0.00932292 0.00649846
13.86336071 13.47225061 -14.23647553
0.00006900 0.00010304 -0.00037528
-0.06556124 0.00333921 0.00726462
-3.80409661 7.05563655 4.26437852
-0.00043987 0.00000280 -0.00009738
-0.02067990 -0.00057268 0.01682307
5.69314055 16.68984786 -8.60501963
0.00014760 0.00001139 0.00011641
0.01077782 0.00036409 -0.02776937
6.98420204 6.95677397 -21.04382200
-0.00029624 0.00045200 0.00000235
-0.03301561 -0.01291523 0.01706588
23.70422840 17.08579522 -2.46043472
-0.00038594 0.00003567 0.00027672
-0.01263928 -0.00568296 0.01641514
1.32925229 12.76897036 -21.15181013
0.00008047 0.00021097 0.00022803
-0.00744567 -0.00985260 -0.01471261
10.23961023 -3.67898400 -1.82404864
0.00037740 0.00018719 0.00004037
0.00213546 0.05074516 0.00911041
-18.07623134 -2.64281753 4.57482093
0.00041574 0.00012800 0.00031979
-0.00135617 -0.00056078 -0.01752292
-15.17048495 0.06847983 18.71814262
-0.00028043 0.00008553 -0.00020201
0.00982119 0.01148802 0.00802891
2.79264271 2.70411317 -3.02114207
0.00003345 0.00008898 0.00016445
0.00400187 -0.00263656 0.00580626
23.35616742 -7.67232953 -9.53027254
0.00010256 -0.00007333 -0.00004327
0.02097336 -0.04072283 -0.00655331
1.33135025 -8.04089764 6.60075333
0.00013755 -0.00000485 0.00019548
0.02268764 0.02566312 0.00704315
-3.88397878 -1.42721360 -18.29491438
0.00002921 0.00037615 0.00022176
0.02144764 -0.02399997 -0.00563409
3.45691991 4.19589853 -10.78778359
-0.00019326 0.00020590 0.00015555
-0.04443962 0.00945459 -0.02087113
-2.68188794 16.97439535 13.80186137
0.00003240 -0.00018435 0.00016470
-0.00691290 -0.00477780 0.01318005
-2.14978863 2.00710965 -7.04763590
-0.00026445 0.00018178 -0.00006897
0.02216628 0.04086096 0.01583840
-6.62685695 -2.00692139 -4.34067450
-0.00014315 -0.00014396 -0.00014624
-0.00631861 -0.00138399 -0.01017358
0.31085219 28.14802882 7.18478144
0.00003498 0.00009680 0.00007773
0.03495389 0.00096894 0.02243990
10.01260471 -9.10415642 -1.45962187
0.00007820 0.00003308 -0.00004425
0.01197012 -0.01352424 0.03483599
-6.79061595 0.30777246 7.56477110
-0.00020005 0.00006678 0.00003712
0.01019396 -0.00731527 0.01232885
18.56897434 11.79097872 6.24328100
0.00000982 -0.00009367 0.00022502
-0.01804348 0.00898963 -0.04012534
-3.26780222 -3.97361973 -23.25473790
-0.00002153 0.00002991 0.00000485
0.00354750 -0.01092889 -0.01135051
-13.65396380 8.23738461 8.12221597
0.00001770 0.00000742 0.00033456
-0.00408536 0.00794822 0.00112849
-11.80969791 7.66806839 -2.52976793
-0.00043982 -0.00026377 -0.00012568
-0.01505716 -0.05081463 -0.01549415
-3.05730190 -16.14623853 20.39583220
-0.00031804 -0.00007471 0.00002526
-0.00945175 -0.04468893 -0.00364734
-3.03848518 6.93711285 -8.05730964
-0.00028724 -0.00009999 0.00022191
-0.02353861 0.04662294 0.02570804
-20.66108308 29.47471140 1.44179211
-0.00022214 0.00016942 -0.00006091
-0.02241048 0.00747857 -0.00408107
9.76162697 3.35513067 7.52161477
-0.00006645 -0.00020397 -0.00003072
-0.00305490 0.02840752 0.01465742
6.35139186 14.29079859 -13.44463352
0.00006353 0.00037440 0.00056573
-0.02714880 -0.05014874 0.03012717
14.18293862 3.90051946 -2.88638833
-0.00014303 -0.00021319 -0.00008802
0.01903332 0.00228418 -0.05243318
-6.38902749 11.11426604 -0.54481379
0.00020888 -0.00018912 0.00011400
-0.01274499 0.03323482 -0.00402926
5.97371268 13.03734059 3.20349601
0.00018329 0.00022867 -0.00009186
0.05520784 -0.02529457 0.00840346
21.82933840 -12.37764945 -11.43421425
0.00011926 0.00008772 -0.00026845
0.01673790 0.04065655 0.00277813
16.66556874 -6.33785267 3.34585087
-0.00009587 0.00006583 0.00021490
0.03995110 0.00611741 -0.04867603
15.20916775 7.28472959 10.02872903
0.00012818 -0.00008293 -0.00024881
0.02455791 -0.02211480 -0.00474392
3.17201170 -13.85579371 16.56940418
-0.00026420 0.00007539 -0.00011626
0.01214174 -0.01469562 0.03324084
-3.55295597 -0.65071111 -10.72776773
-0.00005378 -0.00032202 0.00003998
-0.03034159 -0.04415408 0.01511103
15.23271854 -7.97982115 -9.44541719
0.00034927 0.00003021 -0.00021466
-0.02542262 0.01002582 -0.04704272
8.68699017 -3.18719260 6.32910814
0.00032744 -0.00028182 -0.00015107
0.01648491 -0.01832461 0.02635334
-21.29867861 1.61199083 24.59420887
-0.00016404 0.00005169 -0.00007107
-0.01719003 -0.00727068 -0.01396715
24.93563174 -1.68725433 -6.42914410
-0.00002345 -0.00008789 -0.00008641
-0.00324379 -0.00614235 -0.01527888
11.55949804 -11.80046686 -9.98504250
0.00020909 -0.00002617 0.00006910
-0.00573661 -0.00579784 -0.01025272
-4.84717435 -10.24041839 16.70652823
-0.00011686 0.00005880 -0.00027700
-0.02476399 0.00869977 -0.02895091
7.94759582 2.03932894 -30.30444658
0.00044476 0.00049566 -0.00031961
-0.01538461 0.00766002 -0.00058200
10.81959779 17.41375307 14.86501682
-0.00006812 -0.00042885 -0.00005148
0.01276717 0.02402798 -0.02603328
30.70734961 7.28867048 -7.70736429
-0.00010159 -0.00004370 -0.00002554
-0.05648560 0.02425153 0.02789518
5.81885404 -30.06573256 -5.42145538
-0.00044181 0.00035037 -0.00002850
-0.00222119 -0.00795013 0.01254883
4.11407428 -30.45254920 -3.02025384
-0.00038077 -0.00088488 -0.00049344
0.02298740 -0.00373023 -0.01600422
-12.30815834 -2.41244832 -12.94974583
0.00000062 -0.00028495 -0.00034427
0.00076359 0.01314482 -0.00262183
-11.96618872 0.49111848 -12.83102091
0.00075261 0.00111674 0.00003236
-0.00156245 0.01089062 -0.00567172
-38.22688773 3.46137014 2.06783698
0.00114185 -0.00035130 0.00052996
0.00582043 0.01650808 -0.00101858
-39.57565974 1.32626357 3.20797699
-0.00008344 0.00024001 0.00034736
-0.00742762 -0.00663183 0.00936010
-10.19615334 -2.95025177 1.02799211
0.00041828 -0.00015148 -0.00134324
0.00717542 -0.00262843 0.00869944
-7.98818402 -3.93949663 2.54833737
0.00045683 0.00034280 0.00131083
0.03993618 -0.03526771 0.00310846
0.04007596 -0.14336322 7.19207606
-0.00001949 -0.00013684 -0.00092689
0.00824950 0.00262287 0.01180057
2.05926638 0.94896079 9.09829515
-0.00026319 0.00006920 -0.00086238
-0.00759824 -0.00241639 -0.00522596
-31.66215801 1.04645432 2.01812267
-0.00059734 -0.00058596 0.00120555
0.00044073 -0.01300833 0.00319726
-34.23600449 2.49386337 2.30125500
-0.00045594 0.00084708 0.00026074
0.03183255 0.00038697 -0.00668112
12.44069039 12.76472662 -15.30223316
0.00050393 0.00043195 0.00093603
0.03559407 0.01256792 0.01759537
15.40673495 13.32460562 -15.05881384
0.00085155 0.00028121 -0.00012261
0.03322129 -0.01383062 -0.02386157
-3.83858433 8.87441410 4.54634073
0.00009411 0.00049320 -0.00045474
-0.00414145 0.00444624 0.01613235
-2.79414614 6.94181005 2.82046098
-0.00041582 0.00038927 -0.00165484
0.01996691 -0.01182866 -0.03472424
5.66715166 16.51651879 -10.50625012
0.00008607 -0.00017194 0.00070989
0.00356126 -0.00375301 0.03084082
7.50129320 16.97223163 -8.20663612
-0.00014881 -0.00006063 0.00046452
-0.00598418 -0.00278581 -0.00091168
7.88956117 7.22548825 -22.56697681
0.00038361 -0.00006346 0.00006667
0.02026606 0.00418644 -0.02220330
8.16745553 7.33345778 -19.73605930
-0.00003465 0.00009649 -0.00001358
0.01007272 0.00542340 0.00606290
22.02022504 17.68039331 -1.85348692
-0.00071404 0.00096042 -0.00067142
0.00774664 -0.00640930 -0.00535863
24.32477028 18.47864598 -3.44581235
0.00041698 -0.00077989 0.00049420
0.00446073 0.00695395 -0.01015910
0.82683145 11.15228565 -21.95281438
0.00064062 -0.00088345 0.00031206
0.00739376 0.01411077 0.01375975
1.16252213 14.08048970 -22.42935934
-0.00072550 0.00060728 0.00060842
-0.00137418 -0.00066779 0.00051354
10.04036551 -5.39262246 -1.55161659
-0.00068978 -0.00061231 0.00022115
-0.00237203 -0.05621662 0.00463435
8.65619149 -2.92931033 -1.29414010
-0.00050985 0.00122886 -0.00066574
0.00311941 0.00261743 -0.01161070
-19.10994513 -4.05079173 5.02093609
0.00050090 -0.00062065 -0.00035214
-0.01108356 -0.00667903 0.00780915
-17.54036536 -3.11675442 2.87676883
0.00055513 -0.00051221 -0.00002646
-0.00152987 0.00492804 0.00750472
-15.07319835 -0.11542970 16.88946062
-0.00066291 0.00034269 -0.00052564
-0.00274101 0.00071377 0.00262186
-14.14065160 1.57732176 18.96246428
0.00083197 -0.00014602 -0.00001289
-0.00287494 -0.01108911 0.00088436
3.04053154 3.69154438 -4.55676466
0.00047771 -0.00054673 -0.00041462
0.00144329 -0.00809663 0.01256973
4.22643584 1.43821117 -2.86890612
-0.00089071 -0.00127616 -0.00057884
-0.01974955 0.02042813 -0.01451088
22.94859015 -9.38587571 -10.22649224
-0.00010518 -0.00025059 0.00017139
0.00073048 0.01545588 0.00246089
25.04775108 -7.91433945 -8.77943392
-0.00075637 -0.00033541 -0.00015142
-0.01970644 0.01076459 -0.00385468
1.84821856 -8.06427638 4.85870453
0.00089735 -0.00040526 0.00099210
-0.00319422 -0.01033394 -0.00652316
2.83683215 -7.21691633 7.39014594
-0.00019546 -0.00042404 0.00045973
-0.02065847 -0.01905279 -0.00033406
-4.33218887 -3.11245416 -17.60076651
0.00057463 0.00073213 0.00008946
0.00229366 0.02512760 -0.00469358
-4.82068480 -0.19895396 -17.32040142
0.00050353 0.00012827 0.00089035
-0.01299361 -0.00555127 0.00756751
2.29473397 5.03602244 -12.08098486
-0.00073053 -0.00086719 0.00018473
0.03117501 -0.01014414 0.01298534
2.05467528 3.46777824 -9.84667260
0.00003901 0.00005253 0.00048034
0.00654236 -0.00135298 0.01030378
-1.41355230 15.58986870 13.49275357
0.00083475 0.00066875 0.00036377
0.00143923 0.01888889 0.00198708
-2.72394309 17.12107465 15.63870371
0.00112769 -0.00043531 -0.00077902
-0.00124236 -0.00115852 -0.01185153
-1.89117232 0.86490272 -5.73537067
0.00051875 0.00006728 -0.00030609
0.00823168 -0.01699174 0.03318693
-3.09034471 1.02634686 -8.18719427
0.00058649 -0.00074021 -0.00043385
-0.02410945 -0.01741000 -0.03702575
-7.94934953 -3.00603077 -5.20008231
0.00057132 0.00079350 0.00029405
0.00660070 0.01886611 0.01307612
-7.16266161 -0.23568509 -4.15472267
-0.00059774 -0.00041276 -0.00001037
-0.00183629 -0.01662976 -0.00307670
1.42403519 28.69684370 5.87508864
-0.00084029 -0.00044215 0.00054349
0.01567850 -0.00001110 -0.00710308
-1.19896494 28.20715014 6.25325065
0.00077817 0.00082171 0.00099739
-0.04454881 -0.00091884 -0.01112145
8.27774481 -9.19060910 -2.01122984
-0.00023108 -0.00014355 0.00005261
-0.01057713 0.00341556 -0.00922892
9.94608582 -9.75789991 0.32749611
-0.00040230 -0.00093464 -0.00023906
0.00585422 0.01236922 -0.02715822
-5.52642578 -0.32288152 8.83744422
0.00098850 0.00035019 0.00018299
-0.01292976 0.01427542 -0.00484786
-8.27593288 -0.67107714 8.01526716
-0.00042339 0.00085043 -0.00018870
-0.00095732 0.00485647 -0.00208199
19.75059172 11.43250362 7.51390309
0.00049236 0.00001869 -0.00076165
0.02479786 -0.00431294 0.02661896
19.46529009 12.79370044 4.98177857
0.00023493 -0.00018045 0.00105207
-0.00152859 -0.00152760 0.01482672
-3.60123034 -3.24049297 -21.60318346
0.00102563 0.00039053 -0.00140246
-0.00794758 0.01569507 -0.01330484
-4.46442557 -3.46666220 -24.65321222
-0.00032765 0.00044097 0.00049573
0.00334506 0.00592469 0.02975898
-12.63510289 9.03275408 9.44540155
0.00047130 0.00063153 -0.00069632
-0.00116256 -0.00127159 -0.00064763
-13.11895505 9.07490529 6.55805553
0.00003895 -0.00035981 0.00012064
0.00144062 -0.00345606 0.00761363
-12.66773029 7.37073409 -4.15008305
0.00011310 -0.00009104 -0.00015781
0.00831814 0.00815664 0.00293710
-11.47196715 9.38577982 -2.36270207
0.00017485 -0.00053976 -0.00020390
0.00708433 0.04539403 -0.00015304
-4.72013480 -17.10107401 20.22975844
-0.00092623 -0.00102380 0.00035279
0.02636796 0.01991154 -0.00326346
-1.81243225 -17.51130275 20.00569454
0.00021983 0.00013689 -0.00029707
-0.01856996 0.02444129 0.00270703
-3.17138365 5.46586433 -6.95542232
-0.00124769 0.00045684 0.00050488
0.00356498 0.00411396 -0.00454460
-3.54715694 8.52155128 -7.00404454
0.00014398 -0.00049318 -0.00020137
0.01190821 -0.04242780 -0.02054630
-20.90707663 28.56260807 -0.09463328
0.00007400 -0.00056673 0.00005137
-0.01364234 -0.00559382 -0.00935690
-18.90925239 29.20463261 1.54507107
0.00062918 -0.00061405 0.00011454
0.03926526 0.00487509 0.01185823
8.76167250 2.78042309 6.15860675
0.00137941 -0.00002651 0.00042182
-0.01613121 -0.01632275 -0.01997083
8.86984746 5.01781884 7.84746760
0.00045714 -0.00095630 -0.00056894
0.01951418 -0.01280521 0.00634112
6.96222456 14.40833767 -15.13726850
0.00037430 0.00093011 -0.00028980
0.00348432 -0.00474300 -0.01455544
5.73832770 12.43577128 -13.16021089
0.00045158 -0.00013547 0.00021277
0.02362539 0.05790974 -0.01626449
13.27962917 5.27238176 -3.74214672
0.00011045 -0.00030867 0.00112263
0.00629273 -0.00882097 0.00976929
13.70489260 4.05018621 -1.21252209
-0.00005067 0.00060598 0.00055134
-0.02294151 0.00053136 0.04576382
-5.72582822 9.68605378 0.25787282
0.00019026 0.00057174 -0.00030055
0.01162845 -0.02744135 0.01130774
-7.70083240 11.72614571 0.59214906
-0.00072265 -0.00134843 -0.00054613
-0.00047384 -0.00967103 -0.00820820
4.49099614 12.77680444 2.18827782
0.00010773 0.00015874 -0.00000662
-0.00597460 -0.01320277 -0.00876820
7.32622386 11.62542268 2.95990547
0.00053375 0.00027325 -0.00095779
-0.04520015 0.03923358 0.00429677
20.34169535 -13.04943091 -10.73366718
0.00068075 0.00092972 -0.00007976
-0.01965447 -0.01805858 0.01641756
22.37635067 -13.53927797 -12.67277859
-0.00081389 -0.00003511 -0.00021184
0.00519379 -0.01998725 -0.02055308
17.64741553 -6.54117745 1.69431135
0.00113871 0.00011730 0.00042669
-0.01474286 0.01476450 0.02882640
15.78475409 -7.86878944 3.21047354
0.00126977 -0.00034751 -0.00039802
-0.02347030 -0.02502517 0.01176453
14.03970043 8.50478600 10.60271073
-0.00017541 -0.00011270 0.00054407
-0.02121680 0.01803413 0.00883002
16.26186765 6.97561380 11.52173969
0.00070549 -0.00056644 -0.00038630
-0.00154215 -0.00264451 -0.00911284
3.00903306 -13.74270989 14.78033441
-0.00047715 0.00070833 -0.00034772
-0.00161135 0.01908578 -0.00651957
4.02657521 -12.52268072 17.56131777
-0.00056615 0.00024587 0.00008612
-0.01031700 -0.00233681 -0.03149747
-3.27359178 -2.43285996 -10.07176406
0.00008901 -0.00044666 -0.00057662
-0.00647005 0.02097483 -0.00525982
-1.98324948 -0.31398908 -11.52599794
0.00052602 -0.00037954 -0.00011689
0.02755571 0.00942468 -0.01528455
14.86678990 -7.76438506 -11.36066295
0.00016404 0.00065860 0.00044222
-0.00347442 -0.01407376 0.03726295
16.65924098 -6.88141077 -9.21253793
-0.00017494 -0.00029496 0.00083566
0.01692237 0.00804818 0.01139191
6.93950277 -2.77417855 6.22075757
-0.00047126 -0.00013346 0.00066311
-0.01379890 0.00618516 -0.01497852
9.63463967 -2.69219951 4.88782680
0.00083493 -0.00093970 0.00055209
0.00664611 0.00238394 -0.01315139
-21.89461118 1.85021949 22.83924834
-0.00005012 -0.00091200 -0.00075654
0.01107001 -0.00397579 0.02063658
-22.54809354 0.46284207 25.34634355
-0.00050448 0.00002952 0.00034482
0.00605946 0.00646040 -0.01072181
25.44049616 -3.06901117 -7.54838394
-0.00019644 0.00056205 -0.00018643
0.00778407 -0.00010611 0.00634882
23.68603946 -0.84329706 -7.45441481
-0.00000889 0.00065530 0.00050346
-0.00288634 0.00385309 0.00668762
10.70414278 -12.60661628 -8.56084922
0.00146511 -0.00033186 -0.00002880
0.00669696 0.00516996 -0.00486600
12.67511481 -10.41634652 -9.59933676
-0.00073758 -0.00033922 0.00016494
-0.00086418 0.00118292 0.00853858
-5.62955291 -10.44683947 18.30782780
0.00038216 0.00001688 0.00050976
0.00190647 -0.00796150 0.02871940
-6.35618980 -9.64117491 15.73796131
0.00067966 -0.00041041 -0.00011334
0.03125931 -0.00910784 0.00109244
8.65128985 0.82594316 -31.47711730
-0.00011851 0.00035581 -0.00055919
0.00442833 -0.00291245 -0.00961941
6.27951756 2.48903227 -30.96989824
-0.00001476 0.00007831 -0.00047894
0.00964845 -0.00751515 -0.00232449
11.10144600 18.81863712 13.59594847
0.00090049 -0.00086563 -0.00043545
-0.00242147 -0.02674512 0.01972594
12.16924465 16.18518980 14.53648230
0.00023630 -0.00082574 0.00023926
-0.00701907 0.00538218 -0.00645126
30.37817357 5.58385434 -8.29864628
0.00020058 -0.00011338 0.00024356
0.00681187 -0.00478286 0.00056999
28.93111408 7.95999986 -7.16647282
0.00052063 -0.00002377 -0.00010149
0.04821918 -0.02274037 -0.01533316
-8.37033567 4.98854377 5.68682319
-0.00012483 -0.00020453 -0.00013869
0.00392209 0.00123766 0.00949936
-10.77865587 10.12112752 3.51243383
0.00003825 0.00004668 -0.00014507
0.00122614 0.00183769 0.00188579
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07821207
0.29000826
386.42146925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.408 s
total exchange = -52.3653262677 (a.u.)
total exchange computation time: 2.7554190159 s
-154.1292828472
-931.37328228
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.412 s
total exchange = -52.3650032181 (a.u.)
total exchange computation time: 2.7552909851 s
-154.1326672376
Anderson extrapolation: theta=1.3364345469 (1.3364345469)
-931.37352668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3645068243 (a.u.)
total exchange computation time: 2.7567298412 s
-154.1374543847
Anderson extrapolation: theta=0.0497915975 (0.0497915975)
-931.37367133
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3644258078 (a.u.)
total exchange computation time: 2.7590539455 s
-154.1379920513
Anderson extrapolation: theta=1.8822328829 (1.8822328829)
-931.37367663
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3642489055 (a.u.)
total exchange computation time: 2.7567191124 s
-154.1390900782
Anderson extrapolation: theta=0.2185009327 (0.2185009327)
-931.37368208
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.412 s
total exchange = -52.3641994477 (a.u.)
total exchange computation time: 2.7590830326 s
-154.1393304354
Anderson extrapolation: theta=1.8974196385 (1.8974196385)
-931.37368315
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3641173360 (a.u.)
total exchange computation time: 2.7611942291 s
-154.1396492116
Anderson extrapolation: theta=0.2862821536 (0.2862821536)
-931.37368455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.409 s
total exchange = -52.3641074630 (a.u.)
total exchange computation time: 2.7578821182 s
-154.1396033027
Anderson extrapolation: theta=1.2941891273 (1.2941891273)
-931.37368490
-212.354295 122.711726 9.067815
565.305439 1067.032189 -419.625861
352.951144 1189.743915 -410.558045
1307.143068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.413 s
total exchange = -52.3641062036 (a.u.)
total exchange computation time: 2.7586600780 s
678.70509521
-1083.60519390
89.86762184
-389.18303463
-174.79406750
78.17027954
551.60419304
0.00000000
-931.37368519
5.64859024 -31.13690044 -3.89381635
0.00005130 -0.00018858 0.00033180
-0.02894994 0.01473476 -0.00527885
-11.67265366 -1.02992528 -11.86494728
-0.00031073 -0.00004367 -0.00002863
0.00258216 -0.01386135 0.01400513
-38.07075213 2.32093732 3.47194954
0.00005155 0.00010059 -0.00023001
0.00542031 -0.01025214 -0.00193009
-9.28433037 -2.77465902 2.65893038
-0.00063671 -0.00006720 -0.00015853
-0.05416190 0.03903563 -0.01908021
0.56782709 -0.12169929 8.96314532
0.00020466 -0.00018433 0.00025648
0.00496273 -0.00065302 -0.02059026
-32.37659687 2.71795921 1.97084776
-0.00004399 0.00021708 -0.00039975
-0.02950154 0.00514736 0.00756268
13.86414288 13.47380914 -14.24207666
0.00003797 0.00010536 -0.00037106
-0.05512150 0.00568332 0.00913827
-3.81077448 7.05567632 4.26298278
-0.00044865 0.00000315 -0.00009121
-0.01343380 0.00195003 0.00716589
5.69539610 16.69002015 -8.60338066
0.00015271 0.00001160 0.00010310
0.00911759 0.00043337 -0.02399006
6.97963107 6.96350409 -21.04372096
-0.00031267 0.00044552 0.00001082
-0.03088814 -0.01225774 0.01588053
23.69839051 17.08630835 -2.45622063
-0.00039309 0.00003233 0.00028562
-0.01515291 -0.00729109 0.01820078
1.33043062 12.77209686 -21.14844640
0.00007640 0.00020501 0.00022013
-0.00838901 -0.01330887 -0.01602754
10.24527942 -3.67598035 -1.82340794
0.00037676 0.00021151 0.00004587
-0.00461178 0.04382989 0.01228649
-18.07000052 -2.64089974 4.57955025
0.00041472 0.00012666 0.00031008
-0.00259678 -0.00463228 -0.02025428
-15.17465351 0.06980709 18.71514346
-0.00027490 0.00009190 -0.00019830
0.01167953 0.01327665 0.00641019
2.79315997 2.70543770 -3.01865288
0.00003564 0.00008755 0.00016703
0.00450063 -0.00290792 0.00420311
23.35778669 -7.67358659 -9.53094694
0.00011206 -0.00009427 -0.00004720
0.01597199 -0.04068378 -0.00871501
1.33350101 -8.04087145 6.60371266
0.00014849 0.00000811 0.00019983
0.01986341 0.02473691 0.00987770
-3.88345796 -1.42166388 -18.29160972
0.00004049 0.00036461 0.00021857
0.02241789 -0.02089332 -0.00678339
3.45384960 4.19902348 -10.78553086
-0.00021611 0.00021045 0.00014506
-0.04442570 0.00825728 -0.01991608
-2.68142864 16.97161163 13.80438272
0.00002905 -0.00018691 0.00016979
-0.00612142 -0.00517164 0.00660827
-2.15366980 2.00999404 -7.04860940
-0.00025352 0.00020213 -0.00006122
0.02030135 0.03825360 0.01429143
-6.62902851 -2.00908620 -4.34290736
-0.00014497 -0.00014357 -0.00015050
-0.00079056 0.00292157 -0.00640406
0.31151168 28.14948457 7.18603394
0.00005344 0.00009657 0.00009183
0.03685156 -0.00184794 0.03240283
10.01382390 -9.10371232 -1.46015129
0.00008366 0.00002595 -0.00002638
0.00925098 -0.01420131 0.03467764
-6.79357744 0.30874593 7.56537545
-0.00019353 0.00006328 0.00004377
0.01515918 -0.00630392 0.01354105
18.56905208 11.78960836 6.24650157
-0.00000007 -0.00008928 0.00020458
-0.02041180 0.00807387 -0.03939086
-3.26811146 -3.97321322 -23.25470895
-0.00001934 0.00002344 -0.00000309
0.00495064 -0.01424931 -0.01952934
-13.65371407 8.23752661 8.12723874
0.00001560 0.00001151 0.00033474
-0.00408838 0.00794220 -0.00041643
-11.81635322 7.66391578 -2.53171283
-0.00044734 -0.00028989 -0.00013320
-0.01419568 -0.05075185 -0.01377031
-3.06210892 -16.14753150 20.39619702
-0.00032364 -0.00009841 0.00002327
-0.01235164 -0.04747928 -0.00407785
-3.04288455 6.93579286 -8.05388188
-0.00029908 -0.00007642 0.00023456
-0.02252372 0.04503948 0.02349379
-20.66450162 29.47728155 1.44086277
-0.00023140 0.00017268 -0.00006331
-0.01360809 0.00520451 -0.00527586
9.76061846 3.35218067 7.52121049
-0.00006595 -0.00018961 -0.00002150
0.00500904 0.02744406 0.02118421
6.35224006 14.29622116 -13.43603141
0.00005029 0.00034858 0.00057929
-0.02434424 -0.05024054 0.02260162
14.18086662 3.89733039 -2.88791082
-0.00013325 -0.00021273 -0.00011222
0.01897434 -0.00049745 -0.04168994
-6.38594340 11.11155738 -0.54311935
0.00020176 -0.00017070 0.00011098
-0.01494380 0.03840306 -0.00772809
5.97667497 13.04067311 3.20215052
0.00021171 0.00021550 -0.00008774
0.05531333 -0.02592157 0.00763805
21.83119184 -12.37617687 -11.43823031
0.00012897 0.00010933 -0.00026732
0.02103299 0.04338831 0.00164119
16.66428482 -6.33684164 3.34888655
-0.00007471 0.00006939 0.00018956
0.04231070 0.00771135 -0.04983396
15.21118514 7.28340027 10.02497855
0.00014037 -0.00009371 -0.00025059
0.02287080 -0.01977168 -0.00217955
3.16809550 -13.85471956 16.56778843
-0.00025801 0.00006796 -0.00009985
0.01192601 -0.01417762 0.03060717
-3.55387975 -0.65571167 -10.72710981
-0.00006813 -0.00034432 0.00004695
-0.02544689 -0.04256530 0.01202339
15.23785947 -7.97932934 -9.44881861
0.00033558 0.00003480 -0.00023826
-0.02778777 0.00782240 -0.04471140
8.69196531 -3.19149061 6.32694369
0.00033388 -0.00029133 -0.00013646
0.00858611 -0.01866709 0.03046231
-21.30120550 1.61273813 24.59308901
-0.00017349 0.00004758 -0.00007864
-0.01956978 -0.00869335 -0.01547877
24.93526750 -1.68859631 -6.43049918
-0.00002535 -0.00009033 -0.00009370
-0.00415860 -0.00335460 -0.01307959
11.56261234 -11.80088173 -9.98404554
0.00020568 -0.00002992 0.00006292
-0.00753602 -0.00880164 -0.01378324
-4.84902284 -10.23950288 16.70226162
-0.00012879 0.00006264 -0.00029009
-0.02160077 0.00623869 -0.02197764
7.95420784 2.04679340 -30.30924294
0.00043621 0.00049961 -0.00032027
-0.01787229 0.00768074 -0.00199934
10.81862525 17.40741307 14.86414421
-0.00006085 -0.00041703 -0.00006510
0.01551518 0.02192998 -0.02694299
30.70560787 7.28810855 -7.70763972
-0.00012981 -0.00003133 -0.00001135
-0.05324530 0.02382625 0.02727701
5.81215885 -30.06072067 -5.42149838
-0.00045038 0.00031348 0.00002773
-0.00197407 -0.01010790 0.01497614
4.10906718 -30.46593677 -3.02814591
-0.00028983 -0.00089906 -0.00055533
0.02152915 -0.00321069 -0.01428737
-12.30812570 -2.41631982 -12.95499016
0.00000414 -0.00022779 -0.00035457
0.00096068 0.01483817 -0.00242003
-11.95494742 0.50820332 -12.83070937
0.00074713 0.00114984 0.00001444
-0.00111880 0.00531007 -0.00309885
-38.20958158 3.45660658 2.07575513
0.00116259 -0.00027542 0.00051381
0.00433219 0.02063446 -0.00688608
-39.57713902 1.32966046 3.21347419
-0.00011383 0.00021376 0.00038408
-0.00744523 -0.00621744 0.00861609
-10.18965926 -2.95260448 1.00811006
0.00045013 -0.00016292 -0.00130254
0.00841361 -0.00297028 0.01122647
-7.98010783 -3.93543528 2.56809507
0.00061148 0.00020628 0.00132399
0.03576680 -0.03155937 0.00333414
0.04003646 -0.14533544 7.17853435
0.00001770 -0.00012690 -0.00086246
0.00995201 0.00224096 0.01973931
2.05508563 0.94992476 9.08519925
-0.00028974 0.00006212 -0.00088152
-0.00539569 -0.00105055 -0.00414163
-31.67110462 1.03726635 2.03630383
-0.00059867 -0.00063113 0.00121806
-0.00109257 -0.00910462 0.00292984
-34.24186814 2.50658148 2.30496131
-0.00032159 0.00084868 0.00023211
0.03393150 0.00039383 -0.00733098
12.44934007 12.77159101 -15.28765352
0.00064006 0.00047820 0.00099872
0.03104378 0.01007304 0.01308971
15.42052617 13.32840003 -15.06138415
0.00097477 0.00022529 -0.00021436
0.02709698 -0.01354296 -0.02105194
-3.83729963 8.88194835 4.54001391
0.00007664 0.00050503 -0.00038930
-0.00440953 0.00134215 0.01590256
-2.79977163 6.94728658 2.79457430
-0.00034857 0.00034183 -0.00177613
0.01295421 -0.01139336 -0.02464478
5.66855188 16.51382476 -10.49465666
0.00010093 -0.00018779 0.00082854
0.00371037 -0.00401009 0.02723638
7.49887768 16.97123680 -8.19969628
-0.00017020 -0.00007143 0.00046068
-0.00448796 -0.00250026 -0.00096938
7.89593632 7.22466464 -22.56665712
0.00046359 -0.00004725 -0.00002096
0.01888723 0.00374825 -0.02069233
8.16724443 7.33507125 -19.73607724
0.00000494 0.00011850 0.00001057
0.00930580 0.00535124 0.00575855
22.00975186 17.69460320 -1.86372249
-0.00067976 0.00093239 -0.00069354
0.00903229 -0.00731133 -0.00546871
24.33116169 18.46716079 -3.43871064
0.00043787 -0.00074651 0.00044924
0.00576308 0.00938241 -0.01185182
0.83666736 11.13946624 -21.94771187
0.00067280 -0.00081707 0.00037113
0.00835769 0.01838695 0.01515593
1.15159746 14.08957844 -22.42021726
-0.00073087 0.00060228 0.00061050
-0.00125130 -0.00178049 0.00050184
10.02994611 -5.40352971 -1.54815737
-0.00069793 -0.00082123 0.00023732
-0.00161692 -0.04605089 0.00328056
8.64863926 -2.91079717 -1.30448200
-0.00048443 0.00123298 -0.00071696
0.00932598 -0.00060050 -0.01346346
-19.10277130 -4.06030614 5.01589324
0.00045879 -0.00064266 -0.00032046
-0.00952850 -0.00409427 0.00770146
-17.53208528 -3.12428652 2.87660193
0.00054805 -0.00048892 0.00001033
-0.00193459 0.00646994 0.01050081
-15.08322602 -0.11026746 16.88165632
-0.00067360 0.00034613 -0.00051103
-0.00248937 0.00096813 0.00453002
-14.12826021 1.57479170 18.96229799
0.00081591 -0.00019625 -0.00001035
-0.00498679 -0.01349912 0.00036041
3.04774149 3.68309535 -4.56259875
0.00048246 -0.00058062 -0.00036095
0.00087761 -0.00849360 0.01369952
4.21247002 1.41969478 -2.87803339
-0.00097096 -0.00119076 -0.00063675
-0.01953572 0.02137264 -0.01383652
22.94703483 -9.38916088 -10.22384606
-0.00010240 -0.00018625 0.00018128
0.00063195 0.01603874 0.00238315
25.03580161 -7.91904071 -8.78182338
-0.00082623 -0.00029238 -0.00016254
-0.01449049 0.01030060 -0.00158590
1.86158099 -8.07067199 4.87338618
0.00088626 -0.00044809 0.00095667
-0.00223870 -0.01062898 -0.01082183
2.83326714 -7.22386082 7.39703169
-0.00027608 -0.00049945 0.00046121
-0.01880416 -0.01785926 0.00105658
-4.32349915 -3.10070226 -17.59956843
0.00058236 0.00082807 0.00007261
0.00149137 0.02183694 -0.00355581
-4.81353005 -0.19720000 -17.30681425
0.00044994 0.00010635 0.00092112
-0.01323912 -0.00517927 0.00749319
2.28473127 5.02270379 -12.07781594
-0.00060380 -0.00090615 0.00023583
0.03086094 -0.00893037 0.01202436
2.05546097 3.46852468 -9.83915175
0.00006651 0.00004718 0.00052254
0.00691937 -0.00126676 0.01035397
-1.40098699 15.60047871 13.49827095
0.00084079 0.00074377 0.00036929
0.00151929 0.01783337 0.00071480
-2.70706576 17.11450945 15.62665526
0.00112082 -0.00043732 -0.00081155
-0.00212390 0.00017838 -0.00407111
-1.88313889 0.86539126 -5.73894508
0.00055230 -0.00000082 -0.00017170
0.00819335 -0.01634217 0.03259769
-3.08228611 1.01471021 -8.19483662
0.00049163 -0.00080767 -0.00058068
-0.02232620 -0.01561286 -0.03484962
-7.94057750 -2.99355016 -5.19527085
0.00058649 0.00085966 0.00033951
0.00082780 0.01352027 0.00917629
-7.17168396 -0.24238605 -4.15497253
-0.00060444 -0.00047855 -0.00002224
-0.00144556 -0.01557764 -0.00273062
1.41191124 28.69021111 5.88302326
-0.00076373 -0.00043697 0.00050208
0.02180119 0.00254656 -0.01316588
-1.18865755 28.21944767 6.26787063
0.00057908 0.00081803 0.00094302
-0.05290575 -0.00088421 -0.01549195
8.27395449 -9.19265764 -2.01072349
-0.00026990 -0.00012910 0.00001535
-0.00842607 0.00365872 -0.00901270
9.94023074 -9.77154047 0.32307795
-0.00037693 -0.00088289 -0.00035028
0.00656599 0.01296289 -0.02728105
-5.51199452 -0.31719123 8.84004053
0.00092737 0.00040949 0.00015886
-0.01699355 0.01475213 -0.00696591
-8.28231307 -0.65817191 8.01237291
-0.00042903 0.00086678 -0.00019456
-0.00180493 0.00315001 -0.00078816
19.75873706 11.43265178 7.50329398
0.00059653 -0.00000135 -0.00064706
0.02619242 -0.00549480 0.02947431
19.46876716 12.79094681 4.99801389
0.00023102 -0.00018180 0.00110518
-0.00038401 0.00086766 0.01117523
-3.58608936 -3.23415405 -21.62462800
0.00098983 0.00046161 -0.00143833
-0.00957693 0.01909610 -0.00425761
-4.46923786 -3.45986604 -24.64486438
-0.00031392 0.00046452 0.00061508
0.00337936 0.00559951 0.02866426
-12.62806907 9.04218800 9.43493689
0.00046743 0.00062655 -0.00069548
-0.00072818 -0.00116259 0.00105944
-13.11832669 9.06940224 6.56009844
0.00004390 -0.00037413 0.00015093
0.00098438 -0.00355478 0.00721492
-12.66577893 7.36961842 -4.15236016
0.00014500 -0.00005857 -0.00014923
0.00730048 0.00773879 0.00125990
-11.46912735 9.37907444 -2.36576519
0.00020433 -0.00035359 -0.00020441
0.00734576 0.04573705 -0.00009776
-4.73322020 -17.11582081 20.23495031
-0.00081030 -0.00093792 0.00033954
0.03037997 0.02212329 -0.00322178
-1.80970383 -17.50850050 20.00132146
0.00014170 0.00023806 -0.00028538
-0.01967550 0.02508590 0.00301313
-3.18998978 5.47284300 -6.94798833
-0.00123276 0.00047076 0.00048731
0.00374628 0.00269885 -0.00405659
-3.54463238 8.51285347 -7.00769467
0.00019061 -0.00066038 -0.00028223
0.01091844 -0.03941777 -0.01903584
-20.90638467 28.55393571 -0.09414938
0.00001880 -0.00058744 0.00001668
-0.01337792 -0.00454345 -0.00762574
-18.89861146 29.19557120 1.54715248
0.00077126 -0.00059116 0.00016174
0.03028521 0.00633315 0.01124655
8.78186937 2.77952521 6.16432204
0.00130222 -0.00010093 0.00032411
-0.02165707 -0.02010510 -0.02785832
8.87730256 5.00308191 7.83912773
0.00053144 -0.00099908 -0.00053986
0.01685700 -0.00813600 0.00789549
6.96794588 14.42214398 -15.14206156
0.00038312 0.00090935 -0.00033390
0.00083221 -0.00541815 -0.00703077
5.74582532 12.43551372 -13.15751769
0.00054819 0.00010252 0.00014632
0.02366769 0.05859044 -0.01626614
13.28147873 5.26748145 -3.72500796
0.00013091 -0.00033619 0.00115463
0.00372290 -0.00465151 0.00589860
13.70342948 4.05929219 -1.20284960
-0.00013919 0.00060517 0.00072441
-0.02038665 -0.00092802 0.03895182
-5.72261792 9.69378902 0.25371103
0.00024381 0.00044768 -0.00024817
0.01458204 -0.03328646 0.01433510
-7.71168664 11.70562294 0.58370563
-0.00072608 -0.00138631 -0.00057820
-0.00120564 -0.00887284 -0.00749031
4.49242907 12.77878094 2.18790986
0.00008371 0.00010545 -0.00004219
-0.00578677 -0.01288119 -0.00864206
7.33284502 11.63072364 2.94567034
0.00034809 0.00043446 -0.00093853
-0.04568024 0.03967874 0.00512738
20.35130438 -13.03603842 -10.73436055
0.00058997 0.00085231 -0.00000765
-0.02478671 -0.01983571 0.01888506
22.36430150 -13.54041703 -12.67658603
-0.00079093 -0.00011885 -0.00029794
0.00604233 -0.02100393 -0.02159294
17.66404442 -6.53896556 1.70159500
0.00107565 0.00017880 0.00054729
-0.01612433 0.01534406 0.03020948
15.80308143 -7.87476892 3.20486377
0.00117156 -0.00045359 -0.00035047
-0.02460476 -0.02690078 0.01151060
14.03641920 8.50364816 10.61114229
-0.00025600 -0.00004499 0.00057786
-0.01823491 0.01511137 0.00771211
16.27240279 6.96703610 11.51566601
0.00069650 -0.00057594 -0.00042629
-0.00286137 -0.00200393 -0.01046547
3.00182637 -13.73150008 14.77491881
-0.00048318 0.00078559 -0.00036879
-0.00133922 0.01873536 -0.00379515
4.01776677 -12.51906421 17.56164434
-0.00060829 0.00023562 -0.00004267
-0.01031142 -0.00268347 -0.03154397
-3.27245493 -2.43891711 -10.08057453
0.00006200 -0.00036240 -0.00059669
-0.00675091 0.02027203 -0.00456447
-1.97451473 -0.31939341 -11.52821962
0.00062971 -0.00034240 -0.00017492
0.02320133 0.00875834 -0.01312025
14.86914409 -7.75493732 -11.35288778
0.00015011 0.00060157 0.00058958
-0.00334663 -0.01384100 0.03487055
16.65713540 -6.88558862 -9.19965393
-0.00010091 -0.00025825 0.00088200
0.01931562 0.00992392 0.01128973
6.93201108 -2.77599086 6.23024524
-0.00051388 -0.00011054 0.00060057
-0.00706629 0.00503444 -0.01563614
9.64736721 -2.70622196 4.89570515
0.00086490 -0.00092724 0.00049077
0.00802455 0.00371623 -0.01686750
-21.89502381 1.83641759 22.82853262
-0.00000325 -0.00092844 -0.00066669
0.01187290 -0.00406818 0.02334611
-22.55547511 0.46348281 25.35118728
-0.00047650 0.00005910 0.00029849
0.00763998 0.00802101 -0.01195511
25.43778809 -3.06058366 -7.55098578
-0.00016320 0.00055667 -0.00016481
0.00848860 -0.00252956 0.00423335
23.68581762 -0.83334946 -7.44665791
-0.00002020 0.00067047 0.00053053
-0.00264891 0.00357235 0.00656254
10.72632462 -12.61143570 -8.56143040
0.00148796 -0.00031412 -0.00004343
0.00448782 0.00351003 -0.00229472
12.66402467 -10.42139851 -9.59660109
-0.00073282 -0.00032465 0.00020172
0.00319343 0.00594476 0.00946716
-5.62376207 -10.44683024 18.31635425
0.00039297 -0.00001398 0.00061765
0.00338442 -0.00714422 0.02409496
-6.34503707 -9.64761013 15.73629470
0.00079750 -0.00044417 -0.00011318
0.02642770 -0.00741654 -0.00101506
8.64964787 0.83119104 -31.48579990
-0.00009953 0.00034362 -0.00059764
0.00486347 -0.00305315 -0.00920343
6.27959184 2.48997662 -30.97715357
0.00002874 0.00004754 -0.00048613
0.01164681 -0.00754613 -0.00119313
11.11487909 18.80483308 13.59002120
0.00088907 -0.00097404 -0.00035450
-0.00316678 -0.02632227 0.01989983
12.17257411 16.17296864 14.53987352
0.00020328 -0.00080023 0.00021461
-0.00914527 0.00710470 -0.00561436
30.38139104 5.58200702 -8.29497542
0.00022782 -0.00013367 0.00024569
0.00652329 -0.00514747 0.00047411
28.94040111 7.95894640 -7.16846504
0.00071192 -0.00011490 -0.00016289
0.04541704 -0.02186452 -0.01472186
-8.37219757 4.98547908 5.68476836
-0.00012337 -0.00020406 -0.00013529
0.00424244 0.00143163 0.00948219
-10.77808005 10.12183093 3.51026104
0.00003852 0.00004707 -0.00014465
0.00111702 0.00150991 0.00171064
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07826272
0.29542246
393.63562204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.409 s
total exchange = -52.3663851222 (a.u.)
total exchange computation time: 2.6276299953 s
-154.1440100521
-931.37912549
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3660809668 (a.u.)
total exchange computation time: 2.6270830631 s
-154.1472484438
Anderson extrapolation: theta=1.3393055345 (1.3393055345)
-931.37936008
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3656073296 (a.u.)
total exchange computation time: 2.6251010895 s
-154.1518739073
Anderson extrapolation: theta=0.0505125115 (0.0505125115)
-931.37949938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3655263147 (a.u.)
total exchange computation time: 2.6254050732 s
-154.1524199592
Anderson extrapolation: theta=1.8966226662 (1.8966226662)
-931.37950458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.412 s
total exchange = -52.3653488635 (a.u.)
total exchange computation time: 2.6246781349 s
-154.1535406556
Anderson extrapolation: theta=0.2204605177 (0.2204605177)
-931.37951005
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3652997844 (a.u.)
total exchange computation time: 2.6242909431 s
-154.1537842343
Anderson extrapolation: theta=1.8855825038 (1.8855825038)
-931.37951114
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.413 s
total exchange = -52.3652197955 (a.u.)
total exchange computation time: 2.6249680519 s
-154.1541002302
Anderson extrapolation: theta=0.2857411788 (0.2857411788)
-931.37951257
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3652111693 (a.u.)
total exchange computation time: 2.6249320507 s
-154.1540486339
Anderson extrapolation: theta=1.2908565218 (1.2908565218)
-931.37951293
-256.679660 122.653906 9.038654
565.360013 1067.010545 -419.604435
308.680353 1189.664451 -410.565782
1295.819944
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3652117628 (a.u.)
total exchange computation time: 2.6242699623 s
678.71170411
-1083.63398239
89.87088049
-389.16554834
-174.79735535
78.18835888
551.60419304
0.00000000
-931.37951323
5.64924806 -31.13967222 -3.88885967
0.00003682 -0.00018069 0.00032805
-0.02734230 0.01591047 -0.00931005
-11.67730464 -1.03063382 -11.86532267
-0.00030956 -0.00004967 -0.00002213
0.00195751 -0.00947855 0.01125290
-38.06995797 2.32240668 3.46849193
0.00005460 0.00009418 -0.00022940
0.00643988 -0.01469544 0.00432146
-9.29408991 -2.77551639 2.65647885
-0.00066330 -0.00004837 -0.00016891
-0.04925892 0.03418143 -0.02130923
0.57091609 -0.12446676 8.96691306
0.00020623 -0.00018497 0.00024387
0.00113900 -0.00183577 -0.02843506
-32.37737053 2.72123523 1.96488064
-0.00005907 0.00021858 -0.00039559
-0.02913715 0.00070274 0.00863371
13.86449980 13.47541151 -14.24760729
0.00001293 0.00010901 -0.00036585
-0.04226108 0.00849467 0.01110188
-3.81755599 7.05573113 4.26164232
-0.00045370 0.00000480 -0.00009006
-0.00622847 0.00444676 -0.00269980
5.69772198 16.69019578 -8.60192677
0.00015695 0.00001186 0.00009194
0.00735632 0.00057493 -0.01940313
6.97482180 6.97013965 -21.04349740
-0.00032781 0.00043944 0.00001854
-0.02795518 -0.01140876 0.01412514
23.69243572 17.08676522 -2.45186612
-0.00040142 0.00002827 0.00029533
-0.01724341 -0.00851396 0.01954961
1.33154423 12.77512069 -21.14520631
0.00007192 0.00019745 0.00021165
-0.00904096 -0.01608457 -0.01695585
10.25091303 -3.67263857 -1.82267247
0.00037274 0.00023188 0.00005297
-0.01103295 0.03535382 0.01531403
-18.06378974 -2.63901768 4.58412332
0.00041299 0.00012320 0.00029910
-0.00411988 -0.00884619 -0.02243819
-15.17873196 0.07123677 18.71219375
-0.00026847 0.00009909 -0.00019541
0.01330960 0.01467350 0.00481148
2.79371195 2.70673980 -3.01613127
0.00003800 0.00008601 0.00016883
0.00465859 -0.00311368 0.00280033
23.35952917 -7.67515751 -9.53168857
0.00011884 -0.00011502 -0.00005227
0.01038892 -0.04002653 -0.01101015
1.33580500 -8.04065442 6.60674820
0.00015784 0.00002052 0.00020548
0.01647754 0.02351678 0.01208204
-3.88276419 -1.41627535 -18.28835739
0.00005223 0.00035490 0.00021479
0.02326478 -0.01687039 -0.00790833
3.45043657 4.20221214 -10.78343178
-0.00023881 0.00021432 0.00013519
-0.04385157 0.00675802 -0.01848061
-2.68101657 16.96878801 13.80695504
0.00002604 -0.00018965 0.00017138
-0.00554791 -0.00547714 -0.00042129
-2.15739436 2.01317354 -7.04947264
-0.00024369 0.00022067 -0.00005426
0.01796109 0.03384079 0.01278202
-6.63120617 -2.01122847 -4.34518963
-0.00014377 -0.00014092 -0.00015273
0.00547900 0.00737788 -0.00223982
0.31245547 28.15092606 7.18753642
0.00007254 0.00009493 0.00011075
0.03742338 -0.00456240 0.04117261
10.01511447 -9.10337779 -1.46041318
0.00008765 0.00001854 -0.00000880
0.00625089 -0.01462247 0.03366321
-6.79642198 0.30967076 7.56608426
-0.00018456 0.00006035 0.00005094
0.01974175 -0.00508040 0.01432800
18.56897234 11.78830028 6.24941826
-0.00001093 -0.00008552 0.00018490
-0.02182951 0.00655763 -0.03713006
-3.26838250 -3.97291663 -23.25483066
-0.00001642 0.00001518 -0.00001521
0.00643323 -0.01784372 -0.02758969
-13.65349588 8.23772989 8.13225829
0.00001349 0.00001557 0.00033419
-0.00409112 0.00785151 -0.00172085
-11.82311804 7.65937164 -2.53376396
-0.00045428 -0.00031542 -0.00013972
-0.01281915 -0.04853501 -0.01159045
-3.06701122 -16.14919076 20.39653038
-0.00033066 -0.00012326 0.00002114
-0.01492290 -0.04918060 -0.00423316
-3.04745768 6.93482035 -8.05027288
-0.00031033 -0.00005390 0.00024592
-0.02120616 0.04250846 0.02069134
-20.66802514 29.47989184 1.43989273
-0.00023604 0.00017470 -0.00006637
-0.00441034 0.00262546 -0.00661189
9.75964859 3.34944239 7.52096964
-0.00006138 -0.00017601 -0.00000916
0.01273713 0.02542021 0.02682864
6.35290044 14.30125613 -13.42725493
0.00003857 0.00032303 0.00058891
-0.02121141 -0.04915024 0.01482266
14.17894100 3.89413747 -2.88975494
-0.00012354 -0.00021374 -0.00013048
0.01878512 -0.00341983 -0.02931156
-6.38297460 11.10914500 -0.54148454
0.00019369 -0.00014996 0.00010620
-0.01645004 0.04227145 -0.01082391
5.98006399 13.04380565 3.20086396
0.00023986 0.00020218 -0.00008406
0.05414282 -0.02586836 0.00663481
21.83320754 -12.37436956 -11.44223371
0.00014069 0.00013201 -0.00026686
0.02453821 0.04482264 0.00014038
16.66332732 -6.33577112 3.35153778
-0.00005267 0.00007345 0.00016381
0.04341338 0.00808109 -0.05030191
15.21337896 7.28191843 10.02121126
0.00015152 -0.00010312 -0.00025105
0.02045511 -0.01683427 0.00041094
3.16427131 -13.85375478 16.56640880
-0.00025202 0.00006073 -0.00008497
0.01138891 -0.01393445 0.02725854
-3.55499985 -0.66104061 -10.72635913
-0.00007980 -0.00036561 0.00005222
-0.01992092 -0.04024543 0.00845784
15.24278602 -7.97877717 -9.45256496
0.00032089 0.00003834 -0.00026041
-0.02935251 0.00593392 -0.04140905
8.69700669 -3.19593263 6.32501425
0.00033634 -0.00030094 -0.00011990
0.00095957 -0.01870531 0.03395383
-21.30388337 1.61341837 24.59184973
-0.00018403 0.00004279 -0.00008686
-0.02141317 -0.00995762 -0.01650285
24.93487118 -1.68996416 -6.43195516
-0.00002773 -0.00009132 -0.00009983
-0.00507324 -0.00052085 -0.01075934
11.56566849 -11.80136451 -9.98315492
0.00020138 -0.00003518 0.00005489
-0.00918236 -0.01163762 -0.01742382
-4.85103798 -10.23853924 16.69782547
-0.00013891 0.00006512 -0.00029931
-0.01774626 0.00339806 -0.01387473
7.96068198 2.05431710 -30.31405472
0.00042650 0.00050347 -0.00032168
-0.01987715 0.00734646 -0.00349628
10.81777240 17.40124226 14.86306374
-0.00005225 -0.00040638 -0.00007905
0.01792263 0.01945453 -0.02728277
30.70345535 7.28773043 -7.70770472
-0.00015607 -0.00001936 0.00000241
-0.04889591 0.02274463 0.02621559
5.80534267 -30.05632826 -5.42062356
-0.00045771 0.00026841 0.00009290
-0.00161357 -0.01195121 0.01692605
4.10537952 -30.47952111 -3.03691360
-0.00020608 -0.00091073 -0.00060951
0.01946561 -0.00249778 -0.01223418
-12.30803418 -2.41928195 -12.96038281
0.00000828 -0.00016428 -0.00036428
0.00106729 0.01624701 -0.00233484
-11.94377468 0.52561359 -12.83058775
0.00074331 0.00116000 0.00000709
-0.00075355 -0.00033523 -0.00049655
-38.19200993 3.45310762 2.08325125
0.00117742 -0.00018316 0.00047421
0.00292578 0.02452646 -0.01249797
-39.57907458 1.33267630 3.21949943
-0.00014377 0.00018967 0.00041769
-0.00721279 -0.00557350 0.00783369
-10.18264954 -2.95513923 0.98891602
0.00048642 -0.00017577 -0.00125220
0.00935207 -0.00332162 0.01341344
-7.96983963 -3.93330809 2.58805710
0.00074540 0.00008784 0.00133796
0.02978824 -0.02642182 0.00350613
0.04060689 -0.14717032 7.16620238
0.00006109 -0.00011861 -0.00076786
0.01129090 0.00181795 0.02656713
2.05057419 0.95082434 9.07184952
-0.00030709 0.00006083 -0.00089619
-0.00309697 0.00041974 -0.00303997
-31.68011820 1.02752039 2.05466454
-0.00060635 -0.00065970 0.00122916
-0.00266539 -0.00487828 0.00250419
-34.24565226 2.51932373 2.30821833
-0.00018047 0.00085018 0.00020108
0.03515112 0.00034091 -0.00785838
12.45989230 12.77907274 -15.27227166
0.00075505 0.00051305 0.00104145
0.02524259 0.00698600 0.00782732
15.43597805 13.33136444 -15.06524465
0.00107054 0.00017075 -0.00029327
0.01978471 -0.01315561 -0.01757525
-3.83628517 8.88956485 4.53466169
0.00005818 0.00050413 -0.00032496
-0.00462504 -0.00178216 0.01559383
-2.80460320 6.95206485 2.76717723
-0.00030991 0.00029627 -0.00185563
0.00596803 -0.01090689 -0.01427221
5.67017949 16.51088497 -10.48139398
0.00011631 -0.00020485 0.00093069
0.00381972 -0.00434002 0.02276862
7.49618712 16.97008875 -8.19281586
-0.00018522 -0.00008101 0.00045671
-0.00286391 -0.00218825 -0.00097074
7.90346899 7.22407076 -22.56760558
0.00053686 -0.00003308 -0.00010073
0.01697690 0.00318810 -0.01835413
8.16760364 7.33701267 -19.73574225
0.00004083 0.00014009 0.00003290
0.00826582 0.00521878 0.00517381
21.99983223 17.70836501 -1.87429322
-0.00064066 0.00090086 -0.00071594
0.01010950 -0.00812113 -0.00549362
24.33790631 18.45625062 -3.43233527
0.00046369 -0.00070418 0.00039803
0.00687654 0.01134160 -0.01321503
0.84701549 11.12777369 -21.94168052
0.00070834 -0.00073463 0.00043514
0.00903945 0.02196560 0.01617820
1.14059610 14.09855807 -22.41104443
-0.00073568 0.00059275 0.00061250
-0.00110387 -0.00288606 0.00047789
10.01942761 -5.41725925 -1.54449710
-0.00070231 -0.00098589 0.00024754
-0.00052861 -0.03455380 0.00172403
8.64165859 -2.89232080 -1.31564902
-0.00043496 0.00122438 -0.00077507
0.01489172 -0.00360965 -0.01498187
-19.09618143 -4.07007147 5.01132237
0.00042342 -0.00065357 -0.00028937
-0.00778732 -0.00124580 0.00751755
-17.52392377 -3.13142211 2.87707859
0.00053956 -0.00045961 0.00005843
-0.00222160 0.00787730 0.01304453
-15.09340625 -0.10504589 16.87412965
-0.00068318 0.00035054 -0.00048883
-0.00220363 0.00119377 0.00634031
-14.11617443 1.57143433 18.96215379
0.00079169 -0.00025550 -0.00000984
-0.00686926 -0.01550336 -0.00010886
3.05500522 3.67412578 -4.56759325
0.00048490 -0.00061556 -0.00030335
0.00031883 -0.00860993 0.01449553
4.19730694 1.40248823 -2.88800864
-0.00104969 -0.00110222 -0.00069160
-0.01900251 0.02197038 -0.01301099
22.94551824 -9.39146310 -10.22105381
-0.00010017 -0.00012040 0.00019054
0.00046044 0.01619154 0.00215081
25.02296408 -7.92311070 -8.78431003
-0.00087341 -0.00025157 -0.00016377
-0.00860468 0.00967527 0.00098305
1.87480622 -8.07771900 4.88740461
0.00087905 -0.00049212 0.00090438
-0.00128638 -0.01092296 -0.01477506
2.82854969 -7.23189983 7.40398220
-0.00034797 -0.00056933 0.00046891
-0.01638763 -0.01634921 0.00271467
-4.31471804 -3.08761206 -17.59858827
0.00058665 0.00090912 0.00006091
0.00060750 0.01783998 -0.00217212
-4.80718668 -0.19576346 -17.29276784
0.00039586 0.00008551 0.00095107
-0.01323252 -0.00502267 0.00716855
2.27661992 5.00883783 -12.07391009
-0.00047937 -0.00093961 0.00028210
0.03005017 -0.00744812 0.01062529
2.05667072 3.46919349 -9.83099635
0.00009545 0.00004226 0.00056487
0.00724662 -0.00114145 0.01036851
-1.38832857 15.61218166 13.50383214
0.00084740 0.00081410 0.00036947
0.00171681 0.01659711 -0.00062670
-2.69031859 17.10795518 15.61435730
0.00111050 -0.00043378 -0.00081120
-0.00292498 0.00155104 0.00424173
-1.87460332 0.86487826 -5.74052171
0.00058502 -0.00006435 -0.00004219
0.00782262 -0.01475745 0.03079675
-3.07559580 1.00211670 -8.20461476
0.00040571 -0.00086604 -0.00071630
-0.01973068 -0.01295627 -0.03153456
-7.93175473 -2.98024095 -5.18989700
0.00057669 0.00090285 0.00036808
-0.00562453 0.00762267 0.00480889
-7.18079490 -0.25004171 -4.15538974
-0.00060972 -0.00053918 -0.00003255
-0.00113685 -0.01409804 -0.00231679
1.40112339 28.68373460 5.89015100
-0.00066304 -0.00042171 0.00043635
0.02748536 0.00492359 -0.01900995
-1.18159256 28.23169102 6.28154118
0.00034939 0.00081473 0.00087277
-0.05952674 -0.00073268 -0.01889445
8.26964777 -9.19448195 -2.01076949
-0.00029932 -0.00011363 -0.00002082
-0.00597587 0.00391264 -0.00869154
9.93477807 -9.78438658 0.31698783
-0.00034877 -0.00082927 -0.00046048
0.00721760 0.01328483 -0.02666258
-5.49860473 -0.31059685 8.84220993
0.00085048 0.00047024 0.00012694
-0.02064262 0.01498777 -0.00865994
-8.28880389 -0.64507363 8.00943037
-0.00043820 0.00087621 -0.00019517
-0.00268414 0.00146223 0.00048948
19.76848763 11.43246319 7.49449124
0.00070403 -0.00002555 -0.00052330
0.02642905 -0.00635019 0.03110884
19.47222069 12.78824636 5.01493409
0.00023223 -0.00017284 0.00114280
0.00097477 0.00351723 0.00723604
-3.57153532 -3.22664480 -21.64633346
0.00094771 0.00054707 -0.00143660
-0.01104315 0.02273963 0.00510685
-4.47384303 -3.45272670 -24.63475980
-0.00030050 0.00048678 0.00072909
0.00318833 0.00530004 0.02714311
-12.62107987 9.05155067 9.42453716
0.00046528 0.00062203 -0.00068780
-0.00032809 -0.00105038 0.00269741
-13.11763800 9.06368133 6.56258351
0.00004710 -0.00038868 0.00017921
0.00058005 -0.00356637 0.00662850
-12.66338015 7.36897702 -4.15456005
0.00017250 -0.00002796 -0.00014802
0.00615847 0.00724307 -0.00066681
-11.46583737 9.37517212 -2.36883430
0.00023401 -0.00017021 -0.00020504
0.00718289 0.04402764 -0.00021286
-4.74444373 -17.12921175 20.23994473
-0.00067983 -0.00084399 0.00032629
0.03348653 0.02385979 -0.00326386
-1.80818125 -17.50416083 19.99713304
0.00006023 0.00034061 -0.00027280
-0.02020449 0.02511248 0.00314743
-3.20836632 5.47998708 -6.94080296
-0.00121710 0.00047875 0.00047172
0.00391937 0.00121499 -0.00357553
-3.54143866 8.50173990 -7.01251143
0.00023265 -0.00081327 -0.00035570
0.00966102 -0.03542504 -0.01692958
-20.90651258 28.54498490 -0.09413284
-0.00003493 -0.00060343 -0.00001029
-0.01292611 -0.00328355 -0.00557437
-18.88611447 29.18689792 1.54992314
0.00087554 -0.00056206 0.00020604
0.02076011 0.00791062 0.01044138
8.80073897 2.77739517 6.16833000
0.00120392 -0.00018993 0.00019589
-0.02646152 -0.02346222 -0.03490431
8.88579077 4.98784635 7.83127175
0.00059407 -0.00102152 -0.00050440
0.01379686 -0.00284927 0.00946146
6.97371820 14.43561823 -15.14728552
0.00038119 0.00088589 -0.00034732
-0.00177892 -0.00606697 0.00046282
5.75477343 12.43884694 -13.15582138
0.00064411 0.00034079 0.00008040
0.02328341 0.05804476 -0.01599964
13.28355646 5.26229607 -3.70750770
0.00014035 -0.00034588 0.00117051
0.00089984 -0.00009191 0.00187426
13.70071695 4.06834129 -1.19078991
-0.00021649 0.00059788 0.00086657
-0.01745292 -0.00264106 0.03063986
-5.71851394 9.69948426 0.25042780
0.00030824 0.00030238 -0.00018485
0.01695828 -0.03783998 0.01666120
-7.72261476 11.68455640 0.57480316
-0.00073271 -0.00142093 -0.00060714
-0.00203813 -0.00807137 -0.00667620
4.49350736 12.77996801 2.18701226
0.00006128 0.00005379 -0.00007654
-0.00519244 -0.01240864 -0.00817579
7.33666662 11.63845637 2.93174945
0.00016217 0.00059580 -0.00091614
-0.04533186 0.03930249 0.00583243
20.35939432 -13.02386158 -10.73389653
0.00048065 0.00076872 0.00007348
-0.02872467 -0.02108206 0.02082800
22.35262264 -13.54284334 -12.68171682
-0.00076534 -0.00020521 -0.00038656
0.00648586 -0.02127185 -0.02178491
17.67968511 -6.53581330 1.71073007
0.00100776 0.00024233 0.00067204
-0.01710821 0.01575100 0.03085463
15.81990083 -7.88239704 3.19995945
0.00107044 -0.00056446 -0.00030387
-0.02489478 -0.02737481 0.01130016
14.03202042 8.50343644 10.62004651
-0.00032323 0.00000963 0.00060645
-0.01467582 0.01162393 0.00628570
16.28276257 6.95833560 11.50895093
0.00068238 -0.00058287 -0.00047127
-0.00404734 -0.00138619 -0.01154963
2.99453760 -13.71914205 14.76927062
-0.00048807 0.00086115 -0.00037813
-0.00105486 0.01824838 -0.00077357
4.00832638 -12.51561217 17.56003770
-0.00064985 0.00022474 -0.00017074
-0.01002788 -0.00264119 -0.03115008
-3.27173180 -2.44373186 -10.08966474
0.00003402 -0.00028202 -0.00061363
-0.00694354 0.01907412 -0.00372689
-1.96435805 -0.32426098 -11.53124540
0.00071422 -0.00030831 -0.00022340
0.01816640 0.00792728 -0.01061549
14.87129318 -7.74633783 -11.34297553
0.00013654 0.00054594 0.00072545
-0.00329521 -0.01339440 0.03163813
16.65621360 -6.88915828 -9.18607803
-0.00001848 -0.00021488 0.00092765
0.02103755 0.01130431 0.01105936
6.92408632 -2.77749464 6.23877463
-0.00052894 -0.00009241 0.00053531
-0.00030481 0.00383694 -0.01630792
9.66058654 -2.72001665 4.90254976
0.00089988 -0.00090985 0.00041554
0.00910256 0.00479776 -0.01995739
-21.89470879 1.82236636 22.81924770
0.00004642 -0.00094494 -0.00056721
0.01244380 -0.00401228 0.02535026
-22.56238846 0.46461512 25.35529834
-0.00044267 0.00009444 0.00024759
0.00891771 0.00927615 -0.01296056
25.43560026 -3.05231118 -7.55332817
-0.00012711 0.00054139 -0.00015203
0.00917380 -0.00495041 0.00202174
23.68543344 -0.82318294 -7.43849881
-0.00003050 0.00068439 0.00055705
-0.00239081 0.00324232 0.00641960
10.74878150 -12.61604000 -8.56215220
0.00150171 -0.00030347 -0.00004726
0.00224176 0.00170743 0.00042209
12.65313024 -10.42608616 -9.59328521
-0.00071166 -0.00029068 0.00024224
0.00716618 0.01068691 0.01036833
-5.61776381 -10.44725885 18.32635738
0.00041009 -0.00004127 0.00070528
0.00499800 -0.00621647 0.01880067
-6.33226470 -9.65449988 15.73456589
0.00089387 -0.00047041 -0.00012256
0.02074596 -0.00542944 -0.00357450
8.64830395 0.83625181 -31.49504654
-0.00007898 0.00033131 -0.00063392
0.00519733 -0.00297134 -0.00855494
6.28037991 2.49045850 -30.98448203
0.00007963 0.00001693 -0.00048896
0.01326063 -0.00744051 -0.00019435
11.12811809 18.78941586 13.58531351
0.00087482 -0.00107949 -0.00027389
-0.00380751 -0.02529577 0.01955702
12.17534309 16.16118290 14.54292065
0.00016206 -0.00076817 0.00019331
-0.01103298 0.00859074 -0.00481052
30.38500830 5.57984424 -8.29127550
0.00025398 -0.00015509 0.00024757
0.00628196 -0.00533613 0.00044261
28.95247157 7.95655295 -7.17135951
0.00088942 -0.00020146 -0.00022110
0.04147106 -0.02050703 -0.01377233
-8.37403669 4.98242207 5.68276443
-0.00012179 -0.00020351 -0.00013190
0.00454762 0.00164557 0.00946429
-10.77750034 10.12253959 3.50809420
0.00003877 0.00004738 -0.00014428
0.00105646 0.00117208 0.00151923
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07826558
0.30124765
401.39739592
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.408 s
total exchange = -52.3677008138 (a.u.)
total exchange computation time: 2.6248807907 s
-154.1600292700
-931.38492284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3674043666 (a.u.)
total exchange computation time: 2.6248068810 s
-154.1631642284
Anderson extrapolation: theta=1.3412231114 (1.3412231114)
-931.38514854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3669319232 (a.u.)
total exchange computation time: 2.6242640018 s
-154.1677131131
Anderson extrapolation: theta=0.0509506107 (0.0509506107)
-931.38528264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3668439451 (a.u.)
total exchange computation time: 2.6274158955 s
-154.1682985795
Anderson extrapolation: theta=1.8972033757 (1.8972033757)
-931.38528765
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3666499262 (a.u.)
total exchange computation time: 2.6254620552 s
-154.1695130324
Anderson extrapolation: theta=0.2205428180 (0.2205428180)
-931.38529288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.409 s
total exchange = -52.3665948678 (a.u.)
total exchange computation time: 2.6247959137 s
-154.1697898656
Anderson extrapolation: theta=1.8725791917 (1.8725791917)
-931.38529391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3665036319 (a.u.)
total exchange computation time: 2.6247091293 s
-154.1701682787
Anderson extrapolation: theta=0.2859321208 (0.2859321208)
-931.38529523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3664914677 (a.u.)
total exchange computation time: 2.6242470741 s
-154.1701360866
Anderson extrapolation: theta=1.2928927312 (1.2928927312)
-931.38529556
-256.623803 122.595511 9.009716
565.417266 1066.989379 -419.582034
308.793463 1189.584890 -410.572317
1295.775923
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 2.409 s
total exchange = -52.3664875896 (a.u.)
total exchange computation time: 2.6247642040 s
678.72103445
-1083.66822558
89.87371062
-389.14419367
-174.80113406
78.20986682
551.60419304
0.00000000
-931.38529583
5.64969495 -31.14232127 -3.88397482
0.00002331 -0.00017234 0.00032228
-0.02522138 0.01658040 -0.01312611
-11.68194053 -1.03141548 -11.86561125
-0.00030867 -0.00005337 -0.00001700
0.00151180 -0.00490358 0.00869519
-38.06911413 2.32376267 3.46506767
0.00005809 0.00008554 -0.00022569
0.00713259 -0.01889117 0.01008024
-9.30422947 -2.77611005 2.65386293
-0.00068695 -0.00003229 -0.00018031
-0.04270595 0.02835572 -0.02298708
0.57401388 -0.12724839 8.97046143
0.00020591 -0.00018622 0.00022753
-0.00235585 -0.00302215 -0.03510402
-32.37836899 2.72451666 1.95898013
-0.00007374 0.00021777 -0.00039087
-0.02792132 -0.00384314 0.00969991
13.86453069 13.47707942 -14.25305228
-0.00000500 0.00011423 -0.00035955
-0.02743823 0.01182031 0.01340774
-3.82438555 7.05582024 4.26028104
-0.00045515 0.00000770 -0.00009391
0.00059781 0.00685603 -0.01226874
5.70010462 16.69037585 -8.60062257
0.00016026 0.00001221 0.00008334
0.00552559 0.00079592 -0.01403776
6.96979688 6.97668719 -21.04316488
-0.00034125 0.00043382 0.00002524
-0.02431180 -0.01043014 0.01194217
23.68634790 17.08715641 -2.44736080
-0.00041070 0.00002370 0.00030560
-0.01882264 -0.00927085 0.02038544
1.33258810 12.77802042 -21.14209703
0.00006717 0.00018864 0.00020279
-0.00941194 -0.01816766 -0.01748391
10.25646152 -3.66902405 -1.82181885
0.00036554 0.00024766 0.00006155
-0.01697145 0.02602369 0.01805484
-18.05761074 -2.63720387 4.58852329
0.00041042 0.00011756 0.00028714
-0.00586922 -0.01305788 -0.02407626
-15.18270773 0.07277966 18.70928116
-0.00026128 0.00010688 -0.00019333
0.01466880 0.01564601 0.00327602
2.79429987 2.70801787 -3.01358805
0.00004035 0.00008437 0.00016997
0.00447699 -0.00324844 0.00163054
23.36135180 -7.67703722 -9.53251514
0.00012263 -0.00013528 -0.00005855
0.00435010 -0.03876453 -0.01338978
1.33823612 -8.04025597 6.60987695
0.00016532 0.00003223 0.00021205
0.01262011 0.02201805 0.01349661
-3.88189094 -1.41101697 -18.28516606
0.00006439 0.00034746 0.00021043
0.02398810 -0.01205312 -0.00905721
3.44668523 4.20545294 -10.78147528
-0.00026107 0.00021733 0.00012618
-0.04269697 0.00497120 -0.01654721
-2.68064730 16.96592214 13.80952412
0.00002328 -0.00019252 0.00016931
-0.00521305 -0.00568012 -0.00762997
-2.16098036 2.01661411 -7.05023727
-0.00023512 0.00023654 -0.00004804
0.01536024 0.02789070 0.01141198
-6.63334156 -2.01331383 -4.34748918
-0.00013919 -0.00013598 -0.00015274
0.01232732 0.01184701 0.00220574
0.31368797 28.15233235 7.18935653
0.00009153 0.00009196 0.00013372
0.03642842 -0.00697609 0.04813598
10.01645326 -9.10315606 -1.46041538
0.00009004 0.00001098 0.00000804
0.00307554 -0.01477380 0.03183803
-6.79911422 0.31055640 7.56690361
-0.00017335 0.00005809 0.00005840
0.02384676 -0.00370112 0.01469385
18.56872420 11.78704280 6.25204849
-0.00002224 -0.00008268 0.00016675
-0.02216951 0.00448754 -0.03342145
-3.26860392 -3.97275770 -23.25516521
-0.00001272 0.00000505 -0.00003133
0.00791988 -0.02155027 -0.03510543
-13.65330925 8.23799374 8.13726457
0.00001139 0.00001957 0.00033304
-0.00408059 0.00769534 -0.00275852
-11.82998176 7.65445307 -2.53590451
-0.00046040 -0.00033930 -0.00014502
-0.01095769 -0.04432298 -0.00902878
-3.07202865 -16.15122943 20.39683109
-0.00033892 -0.00014872 0.00001899
-0.01720958 -0.04981195 -0.00411957
-3.05219441 6.93417577 -8.04650424
-0.00032082 -0.00003296 0.00025569
-0.01958142 0.03893181 0.01728384
-20.67158269 29.48252240 1.43887168
-0.00023596 0.00017533 -0.00007014
0.00470791 -0.00013706 -0.00803399
9.75877699 3.34690022 7.52093576
-0.00005303 -0.00016378 0.00000573
0.01975626 0.02216137 0.03108063
6.35339719 14.30591193 -13.41836411
0.00002852 0.00029832 0.00059453
-0.01785956 -0.04692565 0.00702814
14.17716030 3.89091818 -2.89182518
-0.00011395 -0.00021626 -0.00014214
0.01853691 -0.00638660 -0.01604653
-6.38013271 11.10705872 -0.53993322
0.00018506 -0.00012763 0.00010005
-0.01712391 0.04452991 -0.01309922
5.98387070 13.04673862 3.19962858
0.00026708 0.00018907 -0.00008096
0.05171664 -0.02513357 0.00544461
21.83541255 -12.37221647 -11.44623603
0.00015393 0.00015507 -0.00026723
0.02696408 0.04484786 -0.00158998
16.66270473 -6.33463825 3.35380095
-0.00003038 0.00007737 0.00013799
0.04328090 0.00718682 -0.05010797
15.21573060 7.28030672 10.01744714
0.00016127 -0.00011092 -0.00025019
0.01747087 -0.01349209 0.00292795
3.16053498 -13.85289751 16.56523947
-0.00024637 0.00005356 -0.00007196
0.01055477 -0.01395987 0.02332402
-3.55627363 -0.66668003 -10.72554320
-0.00008853 -0.00038554 0.00005557
-0.01404499 -0.03726306 0.00457608
15.24748613 -7.97817923 -9.45663077
0.00030563 0.00004100 -0.00028058
-0.02999847 0.00442292 -0.03703565
8.70205547 -3.20051896 6.32334675
0.00033504 -0.00031050 -0.00010174
-0.00600919 -0.01844999 0.03666593
-21.30672643 1.61402178 24.59048314
-0.00019538 0.00003739 -0.00009549
-0.02270142 -0.01103037 -0.01703719
24.93443572 -1.69133603 -6.43349415
-0.00003056 -0.00009088 -0.00010475
-0.00595763 0.00226716 -0.00838188
11.56865381 -11.80193706 -9.98239871
0.00019630 -0.00004181 0.00004501
-0.01057204 -0.01415358 -0.02103295
-4.85319002 -10.23754939 16.69328227
-0.00014685 0.00006605 -0.00030414
-0.01314526 0.00022956 -0.00490070
7.96700278 2.06189749 -30.31889348
0.00041589 0.00050707 -0.00032388
-0.02137634 0.00665403 -0.00505124
10.81705781 17.39522153 14.86177279
-0.00004251 -0.00039710 -0.00009302
0.01992807 0.01665697 -0.02704001
30.70092562 7.28752779 -7.70756748
-0.00017979 -0.00000812 0.00001550
-0.04334366 0.02095385 0.02468619
5.79842761 -30.05266829 -5.41871140
-0.00046335 0.00021652 0.00016500
-0.00114679 -0.01345186 0.01836956
4.10288483 -30.49325852 -3.04643108
-0.00013196 -0.00091911 -0.00065467
0.01681455 -0.00160862 -0.00987533
-12.30787725 -2.42124836 -12.96591855
0.00001267 -0.00009564 -0.00037389
0.00108303 0.01735556 -0.00236954
-11.93264812 0.54300332 -12.83049656
0.00074076 0.00114737 0.00001021
-0.00049585 -0.00584632 0.00202023
-38.17425898 3.45111179 2.08998142
0.00118672 -0.00007594 0.00041281
0.00162509 0.02795798 -0.01755784
-39.58145219 1.33535056 3.22600477
-0.00017229 0.00016865 0.00044801
-0.00674446 -0.00471612 0.00701241
-10.17506666 -2.95787755 0.97054405
0.00052594 -0.00019004 -0.00119369
0.00999389 -0.00366436 0.01522762
-7.95774582 -3.93280018 2.60823401
0.00085219 -0.00000763 0.00135236
0.02248676 -0.02031217 0.00353856
0.04186929 -0.14889379 7.15549861
0.00010919 -0.00011213 -0.00064776
0.01225359 0.00135587 0.03221984
2.04587296 0.95174965 9.05831348
-0.00031502 0.00006564 -0.00090635
-0.00078758 0.00193568 -0.00193222
-31.68929512 1.01747545 2.07317873
-0.00062035 -0.00067070 0.00123820
-0.00418871 -0.00050713 0.00191850
-34.24728210 2.53208688 2.31099374
-0.00003614 0.00085138 0.00016817
0.03549561 0.00024450 -0.00825208
12.47199156 12.78698261 -15.25641009
0.00084377 0.00053405 0.00106117
0.01818513 0.00329310 0.00182478
15.45264247 13.33352260 -15.07018228
0.00113496 0.00011792 -0.00035715
0.01175010 -0.01270742 -0.01369330
-3.83555416 8.89707213 4.53026516
0.00003894 0.00049063 -0.00026200
-0.00479633 -0.00482619 0.01522597
-2.80906902 6.95617469 2.73890547
-0.00029904 0.00025272 -0.00189321
-0.00064444 -0.01040941 -0.00412595
5.67204120 16.50767920 -10.46673591
0.00013206 -0.00022342 0.00101290
0.00389002 -0.00474906 0.01747090
7.49332104 16.96880658 -8.18599492
-0.00019343 -0.00008927 0.00045285
-0.00115242 -0.00185849 -0.00092077
7.91204211 7.22367226 -22.56967889
0.00060139 -0.00002137 -0.00016958
0.01461255 0.00254475 -0.01534816
8.16846943 7.33927393 -19.73509018
0.00007199 0.00016104 0.00005235
0.00698333 0.00503687 0.00434419
21.99053218 17.72162911 -1.88520063
-0.00059763 0.00086625 -0.00073826
0.01095387 -0.00882379 -0.00543198
24.34507236 18.44603553 -3.42676981
0.00049353 -0.00065500 0.00034208
0.00773217 0.01273108 -0.01417287
0.85791762 11.11742734 -21.93465766
0.00074610 -0.00063906 0.00050255
0.00944340 0.02481749 0.01682136
1.12952709 14.10736081 -22.40184231
-0.00073985 0.00057874 0.00061436
-0.00093566 -0.00396786 0.00043357
10.00887672 -5.43310646 -1.54073117
-0.00070172 -0.00110246 0.00025124
0.00081677 -0.02250537 0.00008577
8.63559057 -2.87406565 -1.32773423
-0.00036424 0.00120405 -0.00083868
0.01972361 -0.00634256 -0.01615501
-19.09006882 -4.07991315 5.00721223
0.00039536 -0.00065254 -0.00025911
-0.00594699 0.00174840 0.00729471
-17.51589841 -3.13807492 2.87835470
0.00053016 -0.00042487 0.00011590
-0.00237855 0.00912902 0.01508727
-15.10372152 -0.09975116 16.86699155
-0.00069154 0.00035581 -0.00045953
-0.00188790 0.00138368 0.00800158
-14.10450965 1.56712682 18.96200291
0.00076033 -0.00032202 -0.00001110
-0.00847800 -0.01706184 -0.00051234
3.06228850 3.66462853 -4.57169938
0.00048510 -0.00065039 -0.00024323
-0.00022348 -0.00844090 0.01493686
4.18097926 1.38662817 -2.89878129
-0.00112563 -0.00101198 -0.00074279
-0.01816750 0.02220526 -0.01204621
22.94402987 -9.39277299 -10.21812975
-0.00009879 -0.00005483 0.00019855
0.00021454 0.01590691 0.00176635
25.00959919 -7.92658772 -8.78673644
-0.00089544 -0.00021361 -0.00015399
-0.00217828 0.00890701 0.00380288
1.88795261 -8.08543545 4.90051753
0.00087562 -0.00053732 0.00083701
-0.00039682 -0.01120598 -0.01820070
2.82282791 -7.24094083 7.41109908
-0.00040892 -0.00063246 0.00048390
-0.01344659 -0.01455088 0.00462062
-4.30589969 -3.07342851 -17.59774123
0.00058711 0.00097253 0.00005531
-0.00038109 0.01319538 -0.00056977
-4.80165428 -0.19463474 -17.27828210
0.00034208 0.00006500 0.00097927
-0.01309055 -0.00501826 0.00663546
2.27035023 4.99451540 -12.06935306
-0.00035929 -0.00096650 0.00032174
0.02872850 -0.00571393 0.00878263
2.05832459 3.46979235 -9.82220550
0.00012561 0.00003792 0.00060719
0.00751637 -0.00097891 0.01034456
-1.37556494 15.62490178 13.50935492
0.00085505 0.00087906 0.00036405
0.00202512 0.01520090 -0.00202250
-2.67375068 17.10149597 15.60231930
0.00109712 -0.00042464 -0.00077640
-0.00362571 0.00292584 0.01279326
-1.86558833 0.86346082 -5.74021093
0.00061555 -0.00011970 0.00007775
0.00712266 -0.01233736 0.02791476
-3.07011470 0.98872916 -8.21632554
0.00033160 -0.00091215 -0.00083651
-0.01654856 -0.00961558 -0.02731167
-7.92327667 -2.96646456 -5.18422844
0.00053947 0.00092112 0.00037808
-0.01259467 0.00132112 0.00008817
-7.18997552 -0.25856138 -4.15594894
-0.00061391 -0.00059291 -0.00004103
-0.00091493 -0.01220334 -0.00183590
1.39202003 28.67755983 5.89611368
-0.00054069 -0.00039739 0.00034788
0.03240734 0.00698084 -0.02429580
-1.17817573 28.24388947 6.29405375
0.00009735 0.00081215 0.00079116
-0.06385114 -0.00052704 -0.02105520
8.26497481 -9.19606648 -2.01134816
-0.00031833 -0.00009712 -0.00005551
-0.00332582 0.00416976 -0.00829048
9.92976773 -9.79641851 0.30926367
-0.00031809 -0.00077491 -0.00056667
0.00779730 0.01332215 -0.02531828
-5.48648005 -0.30308392 8.84384859
0.00075959 0.00053148 0.00008896
-0.02384826 0.01498823 -0.00993153
-8.29545920 -0.63188574 8.00651782
-0.00045093 0.00087886 -0.00019063
-0.00354396 -0.00016184 0.00173416
19.77985794 11.43188542 7.48759504
0.00080997 -0.00005252 -0.00039544
0.02542915 -0.00685211 0.03147984
19.47573396 12.78576147 5.03229776
0.00023931 -0.00015271 0.00116398
0.00249194 0.00633940 0.00313196
-3.55765807 -3.21774193 -21.66772595
0.00090008 0.00064758 -0.00139683
-0.01227020 0.02645829 0.01436120
-4.47825281 -3.44526255 -24.62299173
-0.00028834 0.00050789 0.00083603
0.00276256 0.00503316 0.02520731
-12.61411078 9.06084896 9.41430275
0.00046464 0.00061794 -0.00067364
0.00001642 -0.00095394 0.00423568
-13.11691376 9.05774186 6.56547482
0.00004875 -0.00040311 0.00020473
0.00022859 -0.00349643 0.00586162
-12.66060394 7.36877953 -4.15680080
0.00019514 0.00000049 -0.00015508
0.00492398 0.00668493 -0.00278630
-11.46210717 9.37396808 -2.37191646
0.00026214 0.00000227 -0.00020646
0.00658883 0.04040491 -0.00048266
-4.75361499 -17.14114042 20.24473912
-0.00053844 -0.00074392 0.00031274
0.03572300 0.02512493 -0.00337155
-1.80789692 -17.49828212 19.99313752
-0.00002221 0.00044203 -0.00026002
-0.02015139 0.02453216 0.00310567
-3.22650265 5.48720562 -6.93383672
-0.00120074 0.00048061 0.00045804
0.00408566 -0.00030722 -0.00312314
-3.53765286 8.48845526 -7.01836575
0.00026898 -0.00094771 -0.00041926
0.00812092 -0.03038083 -0.01418230
-20.90743269 28.53583285 -0.09445794
-0.00008651 -0.00061394 -0.00002840
-0.01232004 -0.00186268 -0.00329304
-18.87234516 29.17870945 1.55333371
0.00094082 -0.00052644 0.00024675
0.01119237 0.00952621 0.00948482
8.81798684 2.77382721 6.17019881
0.00108814 -0.00029128 0.00004172
-0.03021121 -0.02614996 -0.04056222
8.89512453 4.97243617 7.82399563
0.00064344 -0.00102124 -0.00046259
0.01037371 0.00299035 0.01100711
6.97938151 14.44872067 -15.15248111
0.00036888 0.00085988 -0.00033076
-0.00424752 -0.00666405 0.00764357
5.76514850 12.44573750 -13.15510563
0.00073760 0.00057430 0.00001610
0.02248258 0.05625990 -0.01547822
13.28568933 5.25710506 -3.68989257
0.00013795 -0.00033647 0.00116990
-0.00207455 0.00469937 -0.00217363
13.69693479 4.07722853 -1.17685241
-0.00028139 0.00058319 0.00097298
-0.01431624 -0.00454868 0.02144662
-5.71337065 9.70286043 0.24816566
0.00038084 0.00014179 -0.00011383
0.01857858 -0.04076767 0.01810202
-7.73366779 11.66299519 0.56549153
-0.00074286 -0.00145231 -0.00063261
-0.00293452 -0.00729307 -0.00579530
4.49426742 12.78039460 2.18561359
0.00004204 0.00000435 -0.00010835
-0.00422289 -0.01179153 -0.00739422
7.33771000 11.64859779 2.91818601
-0.00002063 0.00075394 -0.00089118
-0.04414594 0.03810504 0.00638639
20.36572384 -13.01297678 -10.73215605
0.00035824 0.00068130 0.00016117
-0.03119628 -0.02171019 0.02209437
22.34134128 -13.54657332 -12.68818272
-0.00073873 -0.00029110 -0.00047418
0.00654072 -0.02077281 -0.02110944
17.69427730 -6.53169572 1.72175610
0.00093669 0.00030717 0.00079794
-0.01768063 0.01598832 0.03077515
15.83519452 -7.89170285 3.19574767
0.00096978 -0.00067435 -0.00025800
-0.02437811 -0.02641559 0.01115543
14.02672222 8.50393711 10.62933594
-0.00037513 0.00004926 0.00062875
-0.01072709 0.00777333 0.00462682
16.29287430 6.94955014 11.50152802
0.00066375 -0.00058734 -0.00052008
-0.00507462 -0.00080562 -0.01234391
2.98718418 -13.70566565 14.76357502
-0.00049181 0.00093443 -0.00037477
-0.00077206 0.01762285 0.00241761
3.99827141 -12.51232199 17.55652199
-0.00068969 0.00021482 -0.00029632
-0.00947688 -0.00221438 -0.03031924
-3.27143423 -2.44737763 -10.09898336
0.00000545 -0.00020752 -0.00062688
-0.00704444 0.01739240 -0.00275780
-1.95308802 -0.32864272 -11.53492175
0.00077733 -0.00027784 -0.00026125
0.01272383 0.00698667 -0.00791235
14.87324031 -7.73855923 -11.33112430
0.00012297 0.00049258 0.00084628
-0.00334733 -0.01272336 0.02750868
16.65658111 -6.89203513 -9.17182434
0.00006942 -0.00016705 0.00097203
0.02198821 0.01210823 0.01066134
6.91614288 -2.77876326 6.24630458
-0.00051687 -0.00007916 0.00046730
0.00621245 0.00265257 -0.01698345
9.67436374 -2.73351731 4.90817125
0.00093842 -0.00088864 0.00032930
0.00975934 0.00558008 -0.02225823
-21.89363114 1.80806924 22.81151640
0.00009795 -0.00096095 -0.00046103
0.01278071 -0.00382440 0.02662629
-22.56875527 0.46631593 25.35861509
-0.00040429 0.00013424 0.00019310
0.00987138 0.01020842 -0.01371347
25.43397465 -3.04434210 -7.55554665
-0.00008833 0.00051639 -0.00014834
0.00981200 -0.00728364 -0.00021375
23.68490274 -0.81281770 -7.42994629
-0.00003971 0.00069687 0.00058294
-0.00211825 0.00286570 0.00625310
10.77137577 -12.62053966 -8.56284814
0.00150632 -0.00030036 -0.00003987
0.00001648 -0.00018809 0.00319571
12.64267500 -10.43011885 -9.58933389
-0.00067478 -0.00023781 0.00028627
0.01088362 0.01519055 0.01118674
-5.61145925 -10.44806844 18.33751274
0.00043383 -0.00006462 0.00077040
0.00662196 -0.00521159 0.01307556
-6.31822088 -9.66172237 15.73261802
0.00096544 -0.00048798 -0.00014328
0.01428531 -0.00317314 -0.00656949
8.64727855 0.84113048 -31.50481747
-0.00005725 0.00031978 -0.00066709
0.00543599 -0.00267358 -0.00768274
6.28198067 2.49048438 -30.99182239
0.00013625 -0.00001298 -0.00048802
0.01445400 -0.00719765 0.00065663
11.14112375 18.77244835 13.58180440
0.00085821 -0.00117954 -0.00019575
-0.00432593 -0.02367863 0.01869423
12.17743591 16.14992365 14.54567297
0.00011370 -0.00073061 0.00017522
-0.01263765 0.00979561 -0.00404794
30.38901055 5.57735443 -8.28754845
0.00027925 -0.00017689 0.00024944
0.00608812 -0.00533890 0.00047614
28.96708364 7.95290270 -7.17509803
0.00104826 -0.00028141 -0.00027467
0.03628228 -0.01862839 -0.01244919
-8.37585140 4.97937390 5.68081132
-0.00012012 -0.00020288 -0.00012852
0.00483564 0.00187300 0.00944670
-10.77691696 10.12325234 3.50593266
0.00003901 0.00004761 -0.00014395
0.00104192 0.00082679 0.00132338
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07831004
0.30698579
409.04317277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3691563755 (a.u.)
total exchange computation time: 2.6420450211 s
-154.1777323778
-931.39024081
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3688685755 (a.u.)
total exchange computation time: 2.6437919140 s
-154.1807942884
Anderson extrapolation: theta=1.3418882031 (1.3418882031)
-931.39045966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.409 s
total exchange = -52.3684037661 (a.u.)
total exchange computation time: 2.6423540115 s
-154.1852929089
Anderson extrapolation: theta=0.0511049371 (0.0511049371)
-931.39058964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3683133229 (a.u.)
total exchange computation time: 2.6462838650 s
-154.1859092142
Anderson extrapolation: theta=1.8913421669 (1.8913421669)
-931.39059449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3681140659 (a.u.)
total exchange computation time: 2.6438548565 s
-154.1871915415
Anderson extrapolation: theta=0.2215910723 (0.2215910723)
-931.39059958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3680569253 (a.u.)
total exchange computation time: 2.6433911324 s
-154.1874924658
Anderson extrapolation: theta=1.8779792326 (1.8779792326)
-931.39060059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3679613617 (a.u.)
total exchange computation time: 2.6446039677 s
-154.1879172289
Anderson extrapolation: theta=0.2917753436 (0.2917753436)
-931.39060190
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3679474109 (a.u.)
total exchange computation time: 2.6442229748 s
-154.1878989847
Anderson extrapolation: theta=1.3000668438 (1.3000668438)
-931.39060223
-256.563982 122.537726 8.980084
565.476598 1066.969216 -419.558526
308.912616 1189.506942 -410.578442
1295.734706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1391238507
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3679411981 (a.u.)
total exchange computation time: 2.6427650452 s
678.73391885
-1083.70976406
89.87616840
-389.11751806
-174.80546643
78.23585479
551.60419304
0.00000000
-931.39060250
5.64994726 -31.14484240 -3.87919123
0.00001101 -0.00016377 0.00031462
-0.02261399 0.01674651 -0.01667198
-11.68656475 -1.03223496 -11.86583275
-0.00030796 -0.00005471 -0.00001312
0.00126574 -0.00029940 0.00641499
-38.06821527 2.32497292 3.46172117
0.00006186 0.00007488 -0.00021923
0.00751650 -0.02258292 0.01504678
-9.31469848 -2.77648496 2.65106968
-0.00070694 -0.00001933 -0.00019240
-0.03500781 0.02202846 -0.02405063
0.57709349 -0.13005333 8.97373898
0.00020391 -0.00018806 0.00020807
-0.00542868 -0.00415149 -0.04057310
-32.37958284 2.72776845 1.95315446
-0.00008759 0.00021464 -0.00038562
-0.02593173 -0.00833969 0.01073859
13.86434990 13.47883852 -14.25839382
-0.00001493 0.00012130 -0.00035193
-0.01117719 0.01567289 0.01623059
-3.83121049 7.05596225 4.25882510
-0.00045324 0.00001181 -0.00010251
0.00681985 0.00911984 -0.02116714
5.70252989 16.69056206 -8.59942667
0.00016263 0.00001270 0.00007768
0.00366646 0.00110722 -0.00795690
6.96458439 6.98315427 -21.04274022
-0.00035267 0.00042873 0.00003075
-0.02009576 -0.00936301 0.00948299
23.68011487 17.08747608 -2.44269820
-0.00042063 0.00001887 0.00031615
-0.01981010 -0.00950330 0.02064928
1.33355936 12.78078000 -21.13912263
0.00006230 0.00017894 0.00019377
-0.00953300 -0.01957052 -0.01759125
10.26187908 -3.66520876 -1.82082594
0.00035544 0.00025859 0.00007144
-0.02228904 0.01646230 0.02041422
-18.05147703 -2.63549080 4.59273751
0.00040692 0.00010980 0.00027447
-0.00777169 -0.01712535 -0.02518175
-15.18657033 0.07444325 18.70639385
-0.00025346 0.00011507 -0.00019201
0.01573210 0.01617668 0.00184205
2.79492233 2.70927089 -3.01103225
0.00004252 0.00008269 0.00017057
0.00396568 -0.00329952 0.00071715
23.36320799 -7.67921599 -9.53344501
0.00012324 -0.00015475 -0.00006605
-0.00195891 -0.03692706 -0.01578746
1.34076459 -8.03968765 6.61310982
0.00017073 0.00004310 0.00021912
0.00840801 0.02026999 0.01398153
-3.88083263 -1.40585157 -18.28204462
0.00007688 0.00034268 0.00020548
0.02458772 -0.00654211 -0.01017500
3.44260450 4.20873208 -10.77964643
-0.00028258 0.00021936 0.00011829
-0.04095365 0.00291859 -0.01411939
-2.68031825 16.96301245 13.81203433
0.00002062 -0.00019546 0.00016358
-0.00511906 -0.00576417 -0.01466807
-2.16444785 2.02026984 -7.05091387
-0.00022790 0.00024906 -0.00004247
0.01271252 0.02076781 0.01025972
-6.63538185 -2.01530778 -4.34977171
-0.00013100 -0.00012878 -0.00015043
0.01950763 0.01614164 0.00676004
0.31520151 28.15368483 7.19154799
0.00010959 0.00008788 0.00015967
0.03379214 -0.00888270 0.05278028
10.01781578 -9.10304831 -1.46017195
0.00009079 0.00000342 0.00002375
-0.00016284 -0.01463594 0.02925069
-6.80162249 0.31141349 7.56783632
-0.00016017 0.00005657 0.00006596
0.02739516 -0.00222148 0.01469143
18.56830503 11.78581993 6.25442089
-0.00003344 -0.00008102 0.00015084
-0.02138329 0.00195365 -0.02845687
-3.26876423 -3.97276502 -23.25577059
-0.00000829 -0.00000695 -0.00005105
0.00934060 -0.02514343 -0.04158056
-13.65315410 8.23831695 8.14224957
0.00000930 0.00002348 0.00033143
-0.00403864 0.00749927 -0.00351222
-11.83693001 7.64919256 -2.53811471
-0.00046545 -0.00036058 -0.00014894
-0.00868142 -0.03841790 -0.00619149
-3.07717884 -16.15365238 20.39710002
-0.00034830 -0.00017423 0.00001696
-0.01924824 -0.04939619 -0.00374691
-3.05708221 6.93383154 -8.04260227
-0.00033039 -0.00001415 0.00026354
-0.01764619 0.03422989 0.01325517
-20.67510391 29.48515189 1.43778865
-0.00023131 0.00017454 -0.00007464
0.01337423 -0.00296006 -0.00948389
9.75805781 3.34452902 7.52114166
-0.00004133 -0.00015356 0.00002234
0.02572995 0.01756202 0.03348700
6.35375616 14.31020572 -13.40941906
0.00002024 0.00027506 0.00059620
-0.01434403 -0.04353529 -0.00054445
14.17552261 3.88764961 -2.89401922
-0.00010448 -0.00022029 -0.00014694
0.01826110 -0.00926810 -0.00262285
-6.37742293 11.10531597 -0.53848297
0.00017631 -0.00010462 0.00009298
-0.01687666 0.04498178 -0.01439884
5.98807638 13.04947769 3.19843521
0.00029274 0.00017651 -0.00007849
0.04806334 -0.02368495 0.00413498
21.83782557 -12.36971738 -11.45025062
0.00016809 0.00017778 -0.00026851
0.02809719 0.04344894 -0.00340417
16.66241605 -6.33344994 3.35567755
-0.00000845 0.00008053 0.00011244
0.04198836 0.00510281 -0.04927012
15.21821701 7.27859091 10.01370560
0.00016938 -0.00011694 -0.00024808
0.01408750 -0.00992873 0.00527199
3.15688007 -13.85214793 16.56425007
-0.00024123 0.00004631 -0.00006109
0.00946091 -0.01424157 0.01893972
-3.55765577 -0.67260692 -10.72469197
-0.00009422 -0.00040379 0.00005689
-0.00807595 -0.03368956 0.00053809
15.25195480 -7.97754717 -9.46098230
0.00029029 0.00004299 -0.00029820
-0.02965102 0.00332367 -0.03150982
8.70705789 -3.20524762 6.32196211
0.00033041 -0.00031985 -0.00008242
-0.01200222 -0.01791092 0.03846742
-21.30974463 1.61454010 24.58898512
-0.00020724 0.00003150 -0.00010426
-0.02341990 -0.01188139 -0.01708805
24.93395430 -1.69269042 -6.43509780
-0.00003384 -0.00008903 -0.00010846
-0.00677200 0.00491438 -0.00602201
11.57155757 -11.80261880 -9.98180476
0.00019060 -0.00004961 0.00003331
-0.01159342 -0.01617787 -0.02444957
-4.85544348 -10.23655776 16.68870126
-0.00015224 0.00006529 -0.00030420
-0.00780715 -0.00319108 0.00465307
7.97315867 2.06952920 -30.32377120
0.00040464 0.00051023 -0.00032689
-0.02235375 0.00562358 -0.00665154
10.81649697 17.38932930 14.86027324
-0.00003186 -0.00038932 -0.00010671
0.02148524 0.01359184 -0.02620995
30.69806151 7.28748679 -7.70723979
-0.00020032 0.00000200 0.00002767
-0.03648782 0.01841269 0.02266456
5.79144227 -30.04983273 -5.41567344
-0.00046688 0.00015923 0.00024194
-0.00058194 -0.01458876 0.01928883
4.10142064 -30.50709453 -3.05655377
-0.00006980 -0.00092355 -0.00068966
0.01361229 -0.00056407 -0.00725129
-12.30765395 -2.42215111 -12.97159951
0.00001695 -0.00002308 -0.00038388
0.00100775 0.01816038 -0.00252038
-11.92155196 0.56003474 -12.83028156
0.00073900 0.00111283 0.00002325
-0.00036233 -0.01106308 0.00436443
-38.15640842 3.45082940 2.09563554
0.00119094 0.00004388 0.00033247
0.00044160 0.03069680 -0.02176710
-39.58424315 1.33773578 3.23293987
-0.00019845 0.00015152 0.00047491
-0.00606561 -0.00367120 0.00615223
-10.16687130 -2.96084044 0.95310532
0.00056750 -0.00020567 -0.00112852
0.01035150 -0.00398823 0.01667383
-7.94427388 -3.93353713 2.62862779
0.00092742 -0.00007711 0.00136645
0.01433782 -0.01369859 0.00335975
0.04388266 -0.15053415 7.14676947
0.00016046 -0.00010761 -0.00050701
0.01284221 0.00085678 0.03667972
2.04112346 0.95279359 9.04465902
-0.00031368 0.00007661 -0.00091199
0.00144538 0.00343352 -0.00082749
-31.69872876 1.00739944 2.09181049
-0.00064035 -0.00066389 0.00124453
-0.00559834 0.00384022 0.00117923
-34.24673654 2.54486500 2.31326341
0.00010781 0.00085212 0.00013394
0.03497071 0.00011817 -0.00850162
12.48520532 12.79509431 -15.24043669
0.00090123 0.00053877 0.00105499
0.00994433 -0.00098142 -0.00484738
15.47002700 13.33490197 -15.07595911
0.00116601 0.00006697 -0.00040484
0.00344888 -0.01223047 -0.00965228
-3.83511710 8.90428364 4.52680176
0.00001907 0.00046504 -0.00020063
-0.00492796 -0.00769731 0.01481586
-2.81357433 6.95964656 2.71038085
-0.00031392 0.00021119 -0.00189060
-0.00664297 -0.00992367 0.00540680
5.67414132 16.50418237 -10.45100711
0.00014803 -0.00024383 0.00107189
0.00392476 -0.00524184 0.01140779
7.49038433 16.96741052 -8.17923042
-0.00019455 -0.00009618 0.00044928
0.00060313 -0.00151961 -0.00082708
7.92151078 7.22342971 -22.57269284
0.00065554 -0.00001237 -0.00022516
0.01189182 0.00185797 -0.01186108
8.16976320 7.34184389 -19.73417187
0.00009748 0.00018117 0.00006799
0.00549793 0.00481798 0.00331487
21.98190344 17.73435243 -1.89644094
-0.00055166 0.00082900 -0.00076015
0.01154731 -0.00940747 -0.00528418
24.35271228 18.43660068 -3.42207295
0.00052623 -0.00060145 0.00028316
0.00827159 0.01347957 -0.01466792
0.86939849 11.10860195 -21.92660389
0.00078494 -0.00053335 0.00057183
0.00957154 0.02692536 0.01709133
1.11840074 14.11592039 -22.39261362
-0.00074335 0.00056045 0.00061599
-0.00077793 -0.00498928 0.00036451
9.99837589 -5.45033294 -1.53695998
-0.00069529 -0.00117002 0.00024829
0.00233091 -0.01056927 -0.00152844
8.63073133 -2.85619922 -1.34080951
-0.00027538 0.00117321 -0.00090639
0.02377265 -0.00875407 -0.01698784
-19.08432068 -4.08964767 5.00354916
0.00037485 -0.00063922 -0.00022977
-0.00409095 0.00477189 0.00706568
-17.50801882 -3.14416826 2.88055544
0.00052041 -0.00038537 0.00018062
-0.00239743 0.01020899 0.01659714
-15.11415251 -0.09437163 16.86034384
-0.00069856 0.00036177 -0.00042384
-0.00154694 0.00153255 0.00946856
-14.09336446 1.56177365 18.96182064
0.00072304 -0.00039396 -0.00001387
-0.00977694 -0.01814992 -0.00084133
3.06955808 3.65461398 -4.57489008
0.00048313 -0.00068395 -0.00018205
-0.00074037 -0.00798770 0.01501138
4.16353816 1.37212898 -2.91029221
-0.00119757 -0.00092154 -0.00078978
-0.01704765 0.02206279 -0.01095660
22.94255465 -9.39310802 -10.21509744
-0.00009856 0.00000868 0.00020467
-0.00010503 0.01518407 0.00123398
24.99610081 -7.92951887 -8.78892978
-0.00089048 -0.00017902 -0.00013233
0.00460625 0.00802502 0.00679915
1.90107468 -8.09383867 4.91251499
0.00087555 -0.00058363 0.00075708
0.00036644 -0.01146374 -0.02092716
2.81628204 -7.25087359 7.41849914
-0.00045689 -0.00068773 0.00050712
-0.01003631 -0.01250303 0.00674520
-4.29710470 -3.05843627 -17.59692910
0.00058341 0.00101582 0.00005664
-0.00142890 0.00799534 0.00122104
-4.79692415 -0.19381357 -17.26338970
0.00028926 0.00004418 0.00100484
-0.01276791 -0.00517011 0.00588035
2.26584121 4.97984279 -12.06425778
-0.00024567 -0.00098583 0.00035296
0.02688927 -0.00374939 0.00649693
2.06043912 3.47033121 -9.81278068
0.00015675 0.00003433 0.00064932
0.00772414 -0.00078003 0.01027877
-1.36267719 15.63855351 13.51475375
0.00086416 0.00093804 0.00035286
0.00243407 0.01367063 -0.00345501
-2.65740497 17.09521607 15.59106535
0.00108110 -0.00040995 -0.00070693
-0.00421511 0.00426372 0.02121400
-1.85613682 0.86128728 -5.73818935
0.00064260 -0.00016377 0.00018410
0.00611902 -0.00923430 0.02414503
-3.06564781 0.97475231 -8.22971014
0.00027120 -0.00094364 -0.00093817
-0.01301734 -0.00580255 -0.02244962
-7.91557049 -2.95260722 -5.17855447
0.00047322 0.00091325 0.00036843
-0.01983677 -0.00517380 -0.00481447
-7.19921221 -0.26782895 -4.15662065
-0.00061738 -0.00063810 -0.00004742
-0.00078298 -0.00991819 -0.00129126
1.38490278 28.67181289 5.90058738
-0.00040043 -0.00036559 0.00023967
0.03625030 0.00858542 -0.02867307
-1.17867210 28.25605561 6.30527594
-0.00016686 0.00081039 0.00070359
-0.06548029 -0.00033820 -0.02180936
8.26009802 -9.19739545 -2.01243492
-0.00032629 -0.00007956 -0.00008845
-0.00057471 0.00442280 -0.00783360
9.92523526 -9.80763398 0.29998784
-0.00028522 -0.00072101 -0.00066593
0.00829492 0.01306588 -0.02327028
-5.47581693 -0.29465241 8.84487859
0.00065656 0.00059226 0.00004663
-0.02658719 0.01476487 -0.01078860
-8.30233171 -0.61870776 8.00371155
-0.00046698 0.00087511 -0.00018112
-0.00431627 -0.00167411 0.00292056
19.79278670 11.43088771 7.48262812
0.00090934 -0.00008082 -0.00026853
0.02321292 -0.00700153 0.03064022
19.47939996 12.78366510 5.04985338
0.00025282 -0.00012087 0.00116828
0.00412255 0.00924400 -0.00102433
-3.54453281 -3.20721753 -21.68823830
0.00084811 0.00076296 -0.00132051
-0.01317280 0.03002227 0.02299576
-4.48249328 -3.43748993 -24.60967880
-0.00027842 0.00052799 0.00093425
0.00209336 0.00480484 0.02287269
-12.60714068 9.07008879 9.40432792
0.00046526 0.00061417 -0.00065345
0.00028624 -0.00089128 0.00564886
-13.11617551 9.05158810 6.56872537
0.00004907 -0.00041710 0.00022677
-0.00007017 -0.00335244 0.00492725
-12.65752596 7.36899173 -4.15921232
0.00021262 0.00002657 -0.00017104
0.00363503 0.00608259 -0.00502785
-11.45797316 9.37524031 -2.37502820
0.00028703 0.00015662 -0.00020924
0.00559282 0.03515064 -0.00087715
-4.76059693 -17.15152928 20.24932688
-0.00038962 -0.00063963 0.00029864
0.03712563 0.02592609 -0.00353005
-1.80884759 -17.49089992 19.98933233
-0.00010324 0.00053987 -0.00024779
-0.01951340 0.02336140 0.00288363
-3.24438859 5.49440533 -6.92706188
-0.00118372 0.00047623 0.00044610
0.00424766 -0.00183511 -0.00272118
-3.53336935 8.47330870 -7.02508924
0.00029841 -0.00105926 -0.00047020
0.00628731 -0.02422698 -0.01075390
-20.90910784 28.52656664 -0.09498484
-0.00013536 -0.00061843 -0.00003692
-0.01159359 -0.00033540 -0.00087767
-18.85788992 29.17110481 1.55732557
0.00096774 -0.00048429 0.00028332
0.00198800 0.01110607 0.00841776
8.83338317 2.76865662 6.16958171
0.00095975 -0.00040179 -0.00013172
-0.03263555 -0.02794213 -0.04433795
8.90509406 4.95720926 7.81739409
0.00067823 -0.00099619 -0.00041458
0.00665506 0.00926892 0.01249385
6.98478449 14.46141468 -15.15720825
0.00034693 0.00083159 -0.00028594
-0.00649498 -0.00718439 0.01429425
5.77690144 12.45607602 -13.15533848
0.00082698 0.00079790 -0.00004558
0.02126813 0.05319242 -0.01471164
13.28769506 5.25220205 -3.67241065
0.00012335 -0.00030741 0.00115300
-0.00507243 0.00952340 -0.00610163
13.69227524 4.08583700 -1.16160053
-0.00033339 0.00056046 0.00104121
-0.01113568 -0.00657891 0.01195152
-5.70708876 9.70373811 0.24701293
0.00045825 -0.00002697 -0.00003898
0.01931384 -0.04184457 0.01853643
-7.74490067 11.64098702 0.55582473
-0.00075672 -0.00148062 -0.00065443
-0.00385032 -0.00656274 -0.00488176
4.49476867 12.78009852 2.18376176
0.00002744 -0.00004229 -0.00013639
-0.00292471 -0.01103921 -0.00633330
7.33604785 11.66107453 2.90501397
-0.00019680 0.00090546 -0.00086433
-0.04209128 0.03606490 0.00675841
20.37014146 -13.00342252 -10.72906148
0.00022908 0.00059268 0.00025242
-0.03202548 -0.02167217 0.02257277
22.33046077 -13.55157638 -12.69594233
-0.00071260 -0.00037345 -0.00055735
0.00624990 -0.01953552 -0.01960305
17.70778591 -6.52659827 1.73466823
0.00086417 0.00037263 0.00092206
-0.01782117 0.01605668 0.02998065
15.84899417 -7.90262758 3.19221956
0.00087269 -0.00077754 -0.00021257
-0.02314499 -0.02409505 0.01108218
14.02076659 8.50491418 10.63890894
-0.00041048 0.00007282 0.00064396
-0.00657678 0.00375907 0.00281862
16.30267503 6.94071530 11.49334860
0.00064128 -0.00058955 -0.00057152
-0.00592201 -0.00027444 -0.01283532
2.97978345 -13.69110921 14.75802759
-0.00049442 0.00100487 -0.00035829
-0.00050579 0.01685978 0.00564963
3.98763565 -12.50916753 17.55114813
-0.00072677 0.00020741 -0.00041763
-0.00867289 -0.00141284 -0.02906345
-3.27156837 -2.44995749 -10.10847100
-0.00002335 -0.00014085 -0.00063592
-0.00704985 0.01524242 -0.00166782
-1.94103819 -0.33259627 -11.53908303
0.00081790 -0.00025134 -0.00028793
0.00713397 0.00598709 -0.00514463
14.87498231 -7.73156041 -11.31758717
0.00010892 0.00044244 0.00094831
-0.00353111 -0.01181968 0.02243676
16.65829619 -6.89416992 -9.15691727
0.00015951 -0.00011721 0.00101435
0.02211180 0.01228960 0.01005778
6.90858017 -2.77986932 6.25279367
-0.00047911 -0.00007061 0.00039656
0.01227057 0.00152900 -0.01764605
9.68873905 -2.74667599 4.91242862
0.00097858 -0.00086492 0.00023550
0.00989987 0.00603128 -0.02365448
-21.89177021 1.79353773 22.80541692
0.00015039 -0.00097596 -0.00035114
0.01288777 -0.00352255 0.02716298
-22.57451710 0.46864238 25.36109139
-0.00036270 0.00017717 0.00013609
0.01048608 0.01080595 -0.01419498
25.43295039 -3.03681940 -7.55777824
-0.00004709 0.00048223 -0.00015366
0.01037406 -0.00943866 -0.00239387
23.68424222 -0.80227683 -7.42101053
-0.00004779 0.00070772 0.00060809
-0.00183699 0.00244609 0.00605708
10.79397106 -12.62505085 -8.56334823
0.00150201 -0.00030507 -0.00002124
-0.00212573 -0.00211431 0.00592324
12.63288677 -10.43322058 -9.58469698
-0.00062360 -0.00016751 0.00033335
0.01417133 0.01922179 0.01185829
-5.60474885 -10.44919743 18.34946945
0.00046400 -0.00008377 0.00081173
0.00814364 -0.00416195 0.00715479
-6.30330157 -9.66913934 15.73026752
0.00100927 -0.00049588 -0.00017703
0.00717270 -0.00069466 -0.00995118
8.64658631 0.84584529 -31.51505926
-0.00003473 0.00030987 -0.00069628
0.00559044 -0.00217795 -0.00660727
6.28446726 2.49006914 -30.99912252
0.00019683 -0.00004162 -0.00048392
0.01520360 -0.00682108 0.00134814
11.15386429 18.75402967 13.57944099
0.00083976 -0.00127181 -0.00012220
-0.00470606 -0.02148600 0.01730926
12.17875421 16.13926474 14.54817720
0.00005944 -0.00068877 0.00016014
-0.01392561 0.01068427 -0.00333259
30.39338592 5.57453742 -8.28379223
0.00030382 -0.00019833 0.00025158
0.00593925 -0.00515499 0.00057212
28.98391931 7.94811079 -7.17959952
0.00118315 -0.00035253 -0.00032199
0.02974905 -0.01618959 -0.01071641
-8.37764014 4.97633578 5.67890892
-0.00011834 -0.00020216 -0.00012514
0.00510075 0.00211373 0.00943094
-10.77632994 10.12396797 3.50377572
0.00003926 0.00004776 -0.00014366
0.00107090 0.00048019 0.00112933
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07838481
0.31221769
416.01442165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3708986750 (a.u.)
total exchange computation time: 2.7426569462 s
-154.1968328393
-931.39484947
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1393834505
ExchangeOperator: bisection time: 2.409 s
total exchange = -52.3707183641 (a.u.)
total exchange computation time: 2.7602648735 s
-154.2000564100
Anderson extrapolation: theta=1.2730532387 (1.2730532387)
-931.39518207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1393834505
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3702370490 (a.u.)
total exchange computation time: 2.7584409714 s
-154.2046017763
Anderson extrapolation: theta=0.0966565178 (0.0966565178)
-931.39531410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1393834505
ExchangeOperator: bisection time: 2.412 s
total exchange = -52.3701161136 (a.u.)
total exchange computation time: 2.7593889236 s
-154.2054742606
Anderson extrapolation: theta=1.4278259965 (1.4278259965)
-931.39532134
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1393834505
ExchangeOperator: bisection time: 2.503 s
total exchange = -52.3699111325 (a.u.)
total exchange computation time: 2.7582211494 s
-154.2068377085
Anderson extrapolation: theta=0.3943691433 (0.3943691433)
-931.39532801
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1393834505
ExchangeOperator: bisection time: 2.501 s
total exchange = -52.3698190108 (a.u.)
total exchange computation time: 2.7631869316 s
-154.2073597327
Anderson extrapolation: theta=1.2920810786 (1.2920810786)
-931.39533030
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1393834505
ExchangeOperator: bisection time: 2.502 s
total exchange = -52.3697131089 (a.u.)
total exchange computation time: 2.7578849792 s
-154.2078726884
Anderson extrapolation: theta=0.4287769401 (0.4287769401)
-931.39533253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1393834505
ExchangeOperator: bisection time: 2.499 s
total exchange = -52.3696860067 (a.u.)
total exchange computation time: 2.7575969696 s
-154.2079144732
Anderson extrapolation: theta=0.9799997935 (0.9799997935)
-931.39533335
-256.500823 122.480833 8.950490
565.537336 1066.950596 -419.533836
309.036512 1189.431429 -410.583347
1295.696482
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1393834505
ExchangeOperator: bisection time: 2.500 s
total exchange = -52.3696767125 (a.u.)
total exchange computation time: 2.7898080349 s
678.74919646
-1083.75780110
89.87857903
-389.08550999
-174.81012163
78.26667812
551.60419304
0.00000000
-931.39533393
5.65002511 -31.14723434 -3.87453627
0.00000015 -0.00015523 0.00030521
-0.01961287 0.01645466 -0.01992060
-11.69117921 -1.03305676 -11.86600475
-0.00030732 -0.00005371 -0.00001031
0.00121970 0.00419648 0.00448707
-38.06725842 2.32600895 3.45849075
0.00006576 0.00006249 -0.00021048
0.00764145 -0.02556389 0.01898404
-9.32543758 -2.77668993 2.64809088
-0.00072282 -0.00000964 -0.00020489
-0.02675443 0.01564252 -0.02451453
0.58013122 -0.13289031 8.97670353
0.00020046 -0.00019046 0.00018608
-0.00800497 -0.00516872 -0.04492162
-32.38099676 2.73095590 1.94741162
-0.00010025 0.00020924 -0.00037983
-0.02327447 -0.01266382 0.01175019
13.86408289 13.48071853 -14.26361016
-0.00001628 0.00013049 -0.00034270
0.00591985 0.02003766 0.01966081
-3.83798282 7.05617461 4.25720587
-0.00044832 0.00001704 -0.00011546
0.01231589 0.01119154 -0.02919436
5.70498344 16.69075681 -8.59829215
0.00016404 0.00001337 0.00007531
0.00182649 0.00151652 -0.00127213
6.95921687 6.98954912 -21.04224241
-0.00036182 0.00042420 0.00003496
-0.01551275 -0.00826925 0.00689917
23.67372901 17.08772244 -2.43787631
-0.00043091 0.00001405 0.00032669
-0.02018162 -0.00921156 0.02035763
1.33445707 12.78338860 -21.13628395
0.00005743 0.00016868 0.00018479
-0.00941697 -0.02032570 -0.01731047
10.26712469 -3.66126647 -1.81967554
0.00034278 0.00026466 0.00008244
-0.02692587 0.00716612 0.02235523
-18.04540326 -2.63390984 4.59675746
0.00040240 0.00010001 0.00026136
-0.00977386 -0.02096170 -0.02581645
-15.19031157 0.07623164 18.70352075
-0.00024517 0.00012341 -0.00019140
0.01650860 0.01628452 0.00054346
2.79557539 2.71049845 -3.00847092
0.00004433 0.00008100 0.00017076
0.00309927 -0.00326651 0.00003461
23.36504907 -7.68167964 -9.53449668
0.00012060 -0.00017315 -0.00007478
-0.00830155 -0.03462631 -0.01813712
1.34335793 -8.03896296 6.61645055
0.00017392 0.00005303 0.00022618
0.00399279 0.01834814 0.01346378
-3.87958464 -1.40073665 -18.27900167
0.00008965 0.00034087 0.00019997
0.02508542 -0.00050288 -0.01125846
3.43820782 4.21203374 -10.77792650
-0.00030307 0.00022027 0.00011178
-0.03871491 0.00063191 -0.01121108
-2.68002869 16.96005828 13.81443139
0.00001795 -0.00019842 0.00015436
-0.00526527 -0.00572339 -0.02115446
-2.16781727 2.02408580 -7.05151131
-0.00022200 0.00025772 -0.00003742
0.01021936 0.01291379 0.00938404
-6.63727165 -2.01717721 -4.35200208
-0.00011912 -0.00011947 -0.00014581
0.02672009 0.02004843 0.01120540
0.31697574 28.15496878 7.19414664
0.00012592 0.00008299 0.00018735
0.02968362 -0.01011758 0.05485529
10.01917704 -9.10305347 -1.45970286
0.00008989 -0.00000400 0.00003796
-0.00336258 -0.01422336 0.02600033
-6.80391941 0.31225344 7.56888237
-0.00014533 0.00005582 0.00007343
0.03034410 -0.00070051 0.01436624
18.56772089 11.78461214 6.25657375
-0.00004396 -0.00008075 0.00013771
-0.01952101 -0.00088863 -0.02260341
-3.26885249 -3.97296632 -23.25669676
-0.00000315 -0.00002073 -0.00007372
0.01063783 -0.02841276 -0.04656100
-13.65303010 8.23869802 8.14720748
0.00000725 0.00002728 0.00032950
-0.00395744 0.00730203 -0.00398091
-11.84394524 7.64363566 -2.54037268
-0.00046925 -0.00037851 -0.00015136
-0.00610953 -0.03128965 -0.00321896
-3.08247753 -16.15645641 20.39734003
-0.00035867 -0.00019929 0.00001520
-0.02109952 -0.04805835 -0.00312523
-3.06210614 6.93375139 -8.03859804
-0.00033890 0.00000196 0.00026917
-0.01544639 0.02841132 0.00862618
-20.67852196 29.48775855 1.43663245
-0.00022236 0.00017232 -0.00007982
0.02143363 -0.00568057 -0.01064741
9.75753712 3.34229330 7.52160590
-0.00002688 -0.00014605 0.00003964
0.03045433 0.01165455 0.03379284
6.35400447 14.31416364 -13.40047821
0.00001380 0.00025384 0.00059407
-0.01071847 -0.03898285 -0.00771093
14.17402580 3.88430954 -2.89623349
-0.00009516 -0.00022574 -0.00014496
0.01797755 -0.01191700 0.01031983
-6.37484334 11.10392025 -0.53714379
0.00016793 -0.00008182 0.00008551
-0.01572006 0.04364795 -0.01467138
5.99265286 13.05203405 3.19727373
0.00031623 0.00016489 -0.00007671
0.04327504 -0.02150739 0.00279119
21.84045535 -12.36688310 -11.45429146
0.00018248 0.00019944 -0.00027072
0.02786019 0.04079138 -0.00517309
16.66245129 -6.33222226 3.35717405
0.00001256 0.00008236 0.00008746
0.03970884 0.00200531 -0.04787416
15.22081211 7.27679851 10.01000474
0.00017570 -0.00012112 -0.00024483
0.01048911 -0.00633047 0.00736203
3.15329816 -13.85150822 16.56340679
-0.00023669 0.00003885 -0.00005254
0.00817583 -0.01477848 0.01430409
-3.55910020 -0.67879372 -10.72383659
-0.00009688 -0.00042008 0.00005612
-0.00225668 -0.02966044 -0.00352372
15.25619473 -7.97688947 -9.46557692
0.00027537 0.00004453 -0.00031269
-0.02834125 0.00264188 -0.02483442
8.71196772 -3.21011446 6.32087424
0.00032300 -0.00032886 -0.00006240
-0.01682115 -0.01714394 0.03935568
-21.31294351 1.61496676 24.58735527
-0.00021933 0.00002523 -0.00011295
-0.02360025 -0.01248587 -0.01670011
24.93342063 -1.69400688 -6.43674791
-0.00003750 -0.00008588 -0.00011098
-0.00749277 0.00732439 -0.00377231
11.57437189 -11.80342536 -9.98139944
0.00018449 -0.00005829 0.00001994
-0.01216543 -0.01758506 -0.02754686
-4.85775716 -10.23559076 16.68415615
-0.00015472 0.00006273 -0.00029928
-0.00184338 -0.00677219 0.01448215
7.97914210 2.07720430 -30.32870024
0.00039302 0.00051278 -0.00033074
-0.02284433 0.00430610 -0.00829925
10.81610188 17.38354193 14.85857148
-0.00002053 -0.00038317 -0.00011984
0.02259897 0.01032694 -0.02483958
30.69491591 7.28758785 -7.70673725
-0.00021699 0.00001063 0.00003869
-0.02830287 0.01512389 0.02017796
5.78442126 -30.04789126 -5.41145334
-0.00046792 0.00009807 0.00032154
0.00007103 -0.01534986 0.01967782
4.10079070 -30.52096510 -3.06712087
-0.00002175 -0.00092347 -0.00071348
0.00991244 0.00060502 -0.00440737
-12.30736888 -2.42194088 -12.97743493
0.00002073 0.00005214 -0.00039471
0.00084435 0.01866398 -0.00278277
-11.91047800 0.57638816 -12.82979908
0.00073753 0.00105783 0.00004538
-0.00035768 -0.01585695 0.00647014
-38.13853080 3.45242830 2.09995563
0.00119055 0.00017306 0.00023722
-0.00063389 0.03253625 -0.02486254
-39.58740584 1.33989602 3.24025203
-0.00022150 0.00013897 0.00049821
-0.00521352 -0.00247068 0.00525464
-10.15804154 -2.96404776 0.93668847
0.00060999 -0.00022258 -0.00105819
0.01044361 -0.00428548 0.01775499
-7.92992323 -3.93511362 2.64922747
0.00096863 -0.00011942 0.00137932
0.00583611 -0.00700931 0.00294154
0.04668309 -0.15212201 7.14028829
0.00021339 -0.00010519 -0.00035045
0.01306748 0.00032447 0.03995759
2.03646254 0.95404796 9.03095385
-0.00030355 0.00009353 -0.00091313
0.00351591 0.00484846 0.00026835
-31.70850550 0.99755878 2.11051453
-0.00066576 -0.00063966 0.00124755
-0.00684081 0.00802165 0.00030232
-34.24404777 2.55765037 2.31501206
0.00024786 0.00085231 0.00009901
0.03358268 -0.00002463 -0.00859671
12.49902852 12.80314585 -15.22476036
0.00092299 0.00052500 0.00102048
0.00070449 -0.00575950 -0.01204443
15.48762291 13.33553177 -15.08232750
0.00116343 0.00001798 -0.00043612
-0.00471458 -0.01175133 -0.00566135
-3.83498206 8.91102340 4.52424638
-0.00000127 0.00042824 -0.00014098
-0.00502959 -0.01031968 0.01438234
-2.81848677 6.96251026 2.68218759
-0.00035179 0.00017157 -0.00185082
-0.01189191 -0.00946852 0.01406346
5.67648197 16.50036429 -10.43457917
0.00016407 -0.00026643 0.00110477
0.00392968 -0.00582000 0.00468738
7.48748458 16.96592132 -8.17251660
-0.00018850 -0.00010169 0.00044616
0.00235736 -0.00118154 -0.00069863
7.93170825 7.22330104 -22.57643370
0.00069805 -0.00000620 -0.00026591
0.00891822 0.00116534 -0.00808847
8.17139392 7.34470912 -19.73305041
0.00011659 0.00020036 0.00007913
0.00385548 0.00457505 0.00213655
21.97398240 17.74649920 -1.90800510
-0.00050381 0.00078964 -0.00078127
0.01187303 -0.00985955 -0.00505390
24.36085915 18.42799194 -3.41827502
0.00056038 -0.00054624 0.00022324
0.00844795 0.01354780 -0.01466534
0.88146596 11.10142671 -21.91750265
0.00082381 -0.00042052 0.00064145
0.00945417 0.02830842 0.01698707
1.10722671 14.12417418 -22.38336259
-0.00074612 0.00053803 0.00061727
-0.00058141 -0.00598148 0.00025979
9.98801791 -5.46820716 -1.53328246
-0.00068251 -0.00119009 0.00023896
0.00392558 0.00074759 -0.00303922
8.62732903 -2.83886929 -1.35492591
-0.00017163 0.00113323 -0.00097684
0.02701828 -0.01081794 -0.01749638
-19.07882326 -4.09908975 5.00031911
0.00036181 -0.00061371 -0.00020133
-0.00229287 0.00771718 0.00685669
-17.50028616 -3.14963592 2.88377337
0.00051086 -0.00034183 0.00025039
-0.00227433 0.01110351 0.01755500
-15.12467829 -0.08889817 16.85427642
-0.00070414 0.00036824 -0.00038264
-0.00118344 0.00163475 0.01069975
-14.08281845 1.55530815 18.96158680
0.00068114 -0.00046934 -0.00001781
-0.01073469 -0.01875181 -0.00108800
3.07678228 3.64410989 -4.57716079
0.00047910 -0.00071502 -0.00012131
-0.00123077 -0.00722092 0.01471779
4.14505228 1.35898193 -2.92247461
-0.00126430 -0.00083251 -0.00083203
-0.01561807 0.02151870 -0.00972514
22.94107299 -9.39251247 -10.21198951
-0.00009979 0.00006836 0.00020834
-0.00049753 0.01402658 0.00056110
24.98288473 -7.93195819 -8.79070643
-0.00085756 -0.00014818 -0.00009828
0.01150937 0.00706833 0.00987182
1.91421921 -8.10294445 4.92322991
0.00087825 -0.00063091 0.00066771
0.00095591 -0.01167667 -0.02282031
2.80912107 -7.26157261 7.42631259
-0.00049012 -0.00073422 0.00053938
-0.00622959 -0.01025700 0.00904773
-4.28839728 -3.04295403 -17.59604215
0.00057537 0.00103699 0.00006557
-0.00250777 0.00237164 0.00315031
-4.79297652 -0.19330925 -17.24813691
0.00023806 0.00002247 0.00102691
-0.01229458 -0.00545857 0.00492235
2.26298012 4.96494039 -12.05876432
-0.00014061 -0.00099675 0.00037394
0.02453904 -0.00159283 0.00377335
2.06302702 3.47082227 -9.80272591
0.00018863 0.00003165 0.00069108
0.00788101 -0.00053000 0.01016476
-1.34964026 15.65304305 13.51994084
0.00087511 0.00099056 0.00033579
0.00292918 0.01203583 -0.00490401
-2.64131760 17.08919747 15.58111153
0.00106290 -0.00038996 -0.00060419
-0.00469657 0.00552245 0.02907566
-1.84631030 0.85854780 -5.73468802
0.00066501 -0.00019414 0.00027371
0.00485163 -0.00563291 0.01972024
-3.06197869 0.96041984 -8.24447059
0.00022548 -0.00095905 -0.00101921
-0.00936083 -0.00173716 -0.01722116
-7.90908003 -2.93906695 -5.17317556
0.00037751 0.00087901 0.00033884
-0.02701413 -0.01158919 -0.00966817
-7.20849688 -0.27770437 -4.15737150
-0.00062049 -0.00067323 -0.00005146
-0.00074112 -0.00727904 -0.00068764
1.38000717 28.66659212 5.90330380
-0.00024723 -0.00032840 0.00011610
0.03874265 0.00961957 -0.03181612
-1.18318151 28.26820103 6.31516150
-0.00043190 0.00080921 0.00061586
-0.06425684 -0.00023592 -0.02113764
8.25518601 -9.19845337 -2.01400178
-0.00032301 -0.00006100 -0.00011946
0.00218202 0.00466365 -0.00734395
9.92121116 -9.81804869 0.28928587
-0.00025050 -0.00066876 -0.00075544
0.00870110 0.01250937 -0.02054825
-5.46678324 -0.28531603 8.84524739
0.00054332 0.00065171 0.00000162
-0.02884362 0.01433295 -0.01124451
-8.30946874 -0.60563238 8.00108428
-0.00048587 0.00086551 -0.00016693
-0.00492831 -0.00302591 0.00402412
19.80713810 11.42946091 7.47953903
0.00099738 -0.00010907 -0.00014724
0.01988368 -0.00682702 0.02873484
19.48331861 12.78213525 5.06734623
0.00027293 -0.00007729 0.00115595
0.00571910 0.01208954 -0.00501077
-3.53221487 -3.19485318 -21.70734132
0.00079325 0.00089202 -0.00121132
-0.01367880 0.03315629 0.03045217
-4.48660546 -3.42942284 -24.59496409
-0.00027174 0.00054725 0.00102218
0.00117834 0.00462374 0.02016854
-12.60015304 9.07927400 9.39469930
0.00046679 0.00061055 -0.00062778
0.00046482 -0.00087957 0.00691644
-13.11544156 9.04522888 6.57227789
0.00004828 -0.00043037 0.00024469
-0.00031717 -0.00314410 0.00384293
-12.65422520 7.36957670 -4.16193197
0.00022482 0.00005015 -0.00019624
0.00233377 0.00545715 -0.00730797
-11.45349640 9.37866678 -2.37819369
0.00030714 0.00028695 -0.00021381
0.00425367 0.02864366 -0.00135718
-4.76530358 -17.16032923 20.25369830
-0.00023670 -0.00053299 0.00028382
0.03773019 0.02627558 -0.00372552
-1.81099417 -17.48208599 19.98570387
-0.00018042 0.00063180 -0.00023681
-0.01826815 0.02163631 0.00249256
-3.26201420 5.50149258 -6.92045382
-0.00116604 0.00046567 0.00043566
0.00440811 -0.00333357 -0.00238674
-3.52870052 8.45667735 -7.03247180
0.00031975 -0.00114335 -0.00050569
0.00415896 -0.01693274 -0.00661767
-20.91149352 28.51727988 -0.09556554
-0.00018092 -0.00061776 -0.00003674
-0.01070803 0.00066374 0.00096583
-18.84331284 29.16418082 1.56183333
0.00095844 -0.00043595 0.00031535
-0.00654209 0.01255609 0.00726004
8.84677940 2.76177357 6.16624731
0.00082450 -0.00051743 -0.00031600
-0.03357303 -0.02866407 -0.04586866
8.91547145 4.94255041 7.81155826
0.00069742 -0.00094495 -0.00036071
0.00273971 0.01581679 0.01387673
6.98978943 14.47366840 -15.16105935
0.00031637 0.00080138 -0.00021535
-0.00846582 -0.00760651 0.02026154
5.78995783 12.46967450 -13.15647295
0.00091054 0.00100620 -0.00010363
0.01963814 0.04876957 -0.01370758
13.28938992 5.24788270 -3.65530268
0.00009676 -0.00025906 0.00112059
-0.00794286 0.01414758 -0.00976023
13.68693323 4.09404228 -1.14561618
-0.00037255 0.00052933 0.00107102
-0.00803778 -0.00865718 0.00264241
-5.69962319 9.70205129 0.24699622
0.00053673 -0.00019620 0.00003550
0.01910136 -0.04099282 0.01792205
-7.75636952 11.61857665 0.54585874
-0.00077427 -0.00150609 -0.00067252
-0.00473641 -0.00590486 -0.00397386
4.49509068 12.77912590 2.18152179
0.00001867 -0.00008560 -0.00015964
-0.00136824 -0.01016300 -0.00504615
7.33180608 11.67576154 2.89225612
-0.00036270 0.00104684 -0.00083641
-0.03911786 0.03314000 0.00691049
20.37259636 -12.99519646 -10.72458351
0.00010001 0.00050557 0.00034390
-0.03115909 -0.02096628 0.02220806
22.31996329 -13.55777671 -12.70490335
-0.00068824 -0.00044937 -0.00063284
0.00567309 -0.01762726 -0.01734608
17.72020234 -6.52051678 1.74941776
0.00079198 0.00043805 0.00104147
-0.01751538 0.01596569 0.02847459
15.86137536 -7.91502900 3.18937064
0.00078185 -0.00086878 -0.00016731
-0.02132410 -0.02056994 0.01107274
14.01440790 8.50612162 10.64865468
-0.00042881 0.00008001 0.00065164
-0.00239698 -0.00023901 0.00094239
16.31211283 6.93186365 11.48438255
0.00061576 -0.00058971 -0.00062433
-0.00657146 0.00019658 -0.01301710
2.97235172 -13.67551950 14.75282641
-0.00049600 0.00107195 -0.00032873
-0.00026782 0.01597611 0.00881868
3.97646836 -12.50609965 17.54399309
-0.00076011 0.00020400 -0.00053298
-0.00765010 -0.00025685 -0.02740317
-3.27213458 -2.45160320 -10.11806084
-0.00005196 -0.00008388 -0.00064028
-0.00695862 0.01264665 -0.00046796
-1.92855116 -0.33618289 -11.54355960
0.00083578 -0.00022895 -0.00030340
0.00162123 0.00497132 -0.00242716
14.87650789 -7.72528596 -11.30267498
0.00009379 0.00039648 0.00102765
-0.00387324 -0.01067972 0.01639973
16.66136642 -6.89555153 -9.14139378
0.00024841 -0.00006791 0.00105373
0.02140270 0.01184230 0.00921807
6.90176948 -2.78088167 6.25820130
-0.00041786 -0.00006647 0.00032317
0.01771285 0.00050142 -0.01827543
9.70372108 -2.75946503 4.91523630
0.00101813 -0.00084006 0.00013798
0.00946157 0.00613970 -0.02408309
-21.88911943 1.77879034 22.80098216
0.00020281 -0.00098950 -0.00024060
0.01277329 -0.00310215 0.02694775
-22.57963629 0.47163109 25.36269774
-0.00031932 0.00022186 0.00007769
0.01074786 0.01106976 -0.01438938
25.43256191 -3.02987515 -7.56015654
-0.00000377 0.00043981 -0.00016762
0.01083122 -0.01132665 -0.00443611
23.68346912 -0.79158606 -7.41170356
-0.00005472 0.00071678 0.00063236
-0.00155624 0.00198640 0.00582318
10.81643606 -12.62969162 -8.56348530
0.00148925 -0.00031755 0.00000821
-0.00412129 -0.00399947 0.00849096
12.62396705 -10.43514427 -9.57933332
-0.00056020 -0.00008218 0.00038274
0.01686393 0.02254807 0.01231857
-5.59753935 -10.45058149 18.36186464
0.00049998 -0.00009860 0.00082891
0.00947058 -0.00309942 0.00125326
-6.28794268 -9.67659888 15.72730715
0.00102311 -0.00049335 -0.00022520
-0.00039754 0.00193259 -0.01362724
8.64623668 0.85042663 -31.52570598
-0.00001171 0.00030233 -0.00072073
0.00567576 -0.00151142 -0.00535849
6.28788562 2.48923587 -31.00634002
0.00025955 -0.00006846 -0.00047735
0.01549681 -0.00631710 0.00186768
11.16631641 18.73429420 13.57813840
0.00082006 -0.00135398 -0.00005537
-0.00493263 -0.01873839 0.01540400
12.17921907 16.12926062 14.55047719
0.00000061 -0.00064400 0.00014788
-0.01487187 0.01122920 -0.00266825
30.39812529 5.57140447 -8.28000093
0.00032787 -0.00021865 0.00025424
0.00583260 -0.00478931 0.00072576
29.00257818 7.94232668 -7.18475777
0.00128842 -0.00041248 -0.00036133
0.02178169 -0.01315522 -0.00853789
-8.37940150 4.97330902 5.67705716
-0.00011647 -0.00020136 -0.00012177
0.00534045 0.00236527 0.00941872
-10.77573920 10.12468527 3.50162271
0.00003952 0.00004784 -0.00014342
0.00114470 0.00013294 0.00094385
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07870723
0.31662671
421.88921510
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.501 s
total exchange = -52.3724131127 (a.u.)
total exchange computation time: 2.7435219288 s
-154.2177330554
-931.39825068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.500 s
total exchange = -52.3721408838 (a.u.)
total exchange computation time: 2.7409999371 s
-154.2207213904
Anderson extrapolation: theta=1.3528901947 (1.3528901947)
-931.39846580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.500 s
total exchange = -52.3717082385 (a.u.)
total exchange computation time: 2.7413649559 s
-154.2251183891
Anderson extrapolation: theta=0.0572393720 (0.0572393720)
-931.39859593
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.499 s
total exchange = -52.3716305402 (a.u.)
total exchange computation time: 2.7412540913 s
-154.2257114647
Anderson extrapolation: theta=2.0564898386 (2.0000000000)
-931.39860174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.499 s
total exchange = -52.3714588565 (a.u.)
total exchange computation time: 2.7427220345 s
-154.2269545326
Anderson extrapolation: theta=0.2697107324 (0.2697107324)
-931.39860869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.502 s
total exchange = -52.3714113282 (a.u.)
total exchange computation time: 2.7444641590 s
-154.2272396642
Anderson extrapolation: theta=1.6015770466 (1.6015770466)
-931.39861025
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.502 s
total exchange = -52.3713533968 (a.u.)
total exchange computation time: 2.7426500320 s
-154.2275126581
Anderson extrapolation: theta=0.3235866300 (0.3235866300)
-931.39861194
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.501 s
total exchange = -52.3713532940 (a.u.)
total exchange computation time: 2.7425909042 s
-154.2274258428
Anderson extrapolation: theta=1.1503304903 (1.1503304903)
-931.39861238
-256.437646 122.426480 8.918889
565.598751 1066.934006 -419.507972
309.161105 1189.360486 -410.589083
1295.662900
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.501 s
total exchange = -52.3713669565 (a.u.)
total exchange computation time: 2.6652469635 s
678.77190171
-1083.81625866
89.87968665
-389.04682091
-174.81575451
78.30182122
551.60419304
0.00000000
-931.39861268
5.64995165 -31.14949933 -3.87003498
-0.00000905 -0.00014698 0.00029424
-0.01616096 0.01563923 -0.02272610
-11.69578425 -1.03384618 -11.86614215
-0.00030665 -0.00005045 -0.00000841
0.00135935 0.00848252 0.00291485
-38.06624261 2.32684777 3.45540679
0.00006966 0.00004885 -0.00020005
0.00753382 -0.02750640 0.02158591
-9.33638307 -2.77677422 2.64492295
-0.00073438 -0.00000320 -0.00021743
-0.01819755 0.00942127 -0.02426537
0.58310720 -0.13576716 8.97932152
0.00019583 -0.00019333 0.00016220
-0.00999788 -0.00599205 -0.04795502
-32.38259023 2.73404565 1.94175944
-0.00011134 0.00020170 -0.00037357
-0.01986431 -0.01666820 0.01262501
13.86386154 13.48275312 -14.26867481
-0.00000877 0.00014199 -0.00033159
0.02326312 0.02468413 0.02354666
-3.84466014 7.05647332 4.25536142
-0.00044077 0.00002324 -0.00013223
0.01706237 0.01294549 -0.03604899
5.70745108 16.69096326 -8.59716744
0.00016451 0.00001428 0.00007650
0.00001389 0.00202241 0.00589702
6.95372968 6.99588017 -21.04169137
-0.00036854 0.00042023 0.00003783
-0.01059342 -0.00716506 0.00424517
23.66718745 17.08789773 -2.43289736
-0.00044120 0.00000954 0.00033691
-0.01980919 -0.00833951 0.01938208
1.33528213 12.78584040 -21.13357881
0.00005269 0.00015823 0.00017606
-0.00899821 -0.02032484 -0.01663545
10.27216258 -3.65726890 -1.81835268
0.00032796 0.00026609 0.00009430
-0.03069782 -0.00159457 0.02373779
-18.03940490 -2.63249060 4.60057825
0.00039687 0.00008835 0.00024807
-0.01175761 -0.02435987 -0.02585477
-15.19392545 0.07814566 18.70065184
-0.00023659 0.00013169 -0.00019141
0.01685142 0.01591632 -0.00059203
2.79625235 2.71170081 -3.00590932
0.00004562 0.00007940 0.00017071
0.00189194 -0.00294306 -0.00023501
23.36682611 -7.68441043 -9.53568827
0.00011477 -0.00019021 -0.00008464
-0.01438852 -0.03172174 -0.02023998
1.34598208 -8.03809671 6.61989515
0.00017480 0.00006191 0.00023268
-0.00053998 0.01617334 0.01183105
-3.87814312 -1.39562560 -18.27604557
0.00010262 0.00034225 0.00019393
0.02533671 0.00588015 -0.01220960
3.43351248 4.21534028 -10.77629307
-0.00032221 0.00021996 0.00010689
-0.03572581 -0.00186698 -0.00779146
-2.67977975 16.95705997 13.81666524
0.00001516 -0.00020130 0.00014209
-0.00557242 -0.00550205 -0.02657974
-2.17110785 2.02800138 -7.05203636
-0.00021733 0.00026222 -0.00003276
0.00794795 0.00460241 0.00874087
-6.63895531 -2.01889198 -4.35414602
-0.00010364 -0.00010835 -0.00013901
0.03344343 0.02322254 0.01524308
0.31897897 28.15617467 7.19716848
0.00013977 0.00007769 0.00021534
0.02420321 -0.01052337 0.05397502
10.02051236 -9.10316836 -1.45903319
0.00008737 -0.00001112 0.00005030
-0.00641849 -0.01345018 0.02200576
-6.80598224 0.31308799 7.57003925
-0.00012917 0.00005585 0.00008064
0.03247557 0.00082137 0.01367588
18.56698616 11.78339749 6.25855224
-0.00005324 -0.00008197 0.00012777
-0.01654216 -0.00386310 -0.01607457
-3.26885867 -3.97338681 -23.25798213
0.00000259 -0.00003598 -0.00009838
0.01168960 -0.03088965 -0.04932531
-13.65293664 8.23913542 8.15213467
0.00000525 0.00003098 0.00032741
-0.00379652 0.00708789 -0.00414483
-11.85100760 7.63783738 -2.54265548
-0.00047168 -0.00039252 -0.00015224
-0.00332961 -0.02319737 -0.00021651
-3.08793900 -16.15963120 20.39755594
-0.00036994 -0.00022336 0.00001381
-0.02271943 -0.04554543 -0.00225891
-3.06724924 6.93389041 -8.03452726
-0.00034619 0.00001474 0.00027225
-0.01288736 0.02127544 0.00334435
-20.68177466 29.49032139 1.43539412
-0.00020952 0.00016874 -0.00008563
0.02847196 -0.00823613 -0.01195508
9.75725137 3.34014750 7.52233085
-0.00001040 -0.00014190 0.00005648
0.03362454 0.00450385 0.03170783
6.35417008 14.31782082 -13.39159685
0.00000926 0.00023534 0.00058841
-0.00693488 -0.03295629 -0.01430894
14.17266768 3.88087754 -2.89836815
-0.00008604 -0.00023243 -0.00013658
0.01748736 -0.01411129 0.02227080
-6.37238503 11.10286126 -0.53591780
0.00016038 -0.00006021 0.00007817
-0.01365812 0.04040802 -0.01384213
5.99756320 13.05442447 3.19613379
0.00033691 0.00015463 -0.00007561
0.03715283 -0.01841502 0.00151019
21.84330007 -12.36373413 -11.45837222
0.00019637 0.00021939 -0.00027379
0.02613004 0.03677725 -0.00674865
16.66279288 -6.33097911 3.35830121
0.00003212 0.00008238 0.00006341
0.03636284 -0.00191529 -0.04563914
15.22348812 7.27495728 10.00636067
0.00018013 -0.00012347 -0.00024060
0.00672746 -0.00278421 0.00910383
3.14977932 -13.85098252 16.56267386
-0.00023287 0.00003107 -0.00004645
0.00668544 -0.01547042 0.00937526
-3.56056205 -0.68520934 -10.72300839
-0.00009662 -0.00043415 0.00005329
0.00327082 -0.02505553 -0.00749748
15.26021602 -7.97621139 -9.47036312
0.00026141 0.00004580 -0.00032341
-0.02594350 0.00231226 -0.01683605
8.71674778 -3.21511356 6.32008999
0.00031346 -0.00033740 -0.00004223
-0.02028136 -0.01606397 0.03909601
-21.31632445 1.61529709 24.58559658
-0.00023135 0.00001873 -0.00012131
-0.02313771 -0.01280515 -0.01579387
24.93282916 -1.69526685 -6.43842712
-0.00004150 -0.00008158 -0.00011237
-0.00804004 0.00942031 -0.00165482
11.57709235 -11.80436757 -9.98120663
0.00017824 -0.00006748 0.00000514
-0.01216178 -0.01815508 -0.03000397
-4.86008507 -10.23467599 16.67972277
-0.00015401 0.00005832 -0.00028933
0.00459851 -0.01037220 0.02422752
7.98494930 2.08491262 -30.33369330
0.00038130 0.00051458 -0.00033541
-0.02275167 0.00270738 -0.00988112
10.81588113 17.37783422 14.85667810
-0.00000877 -0.00037875 -0.00013209
0.02312018 0.00685545 -0.02280101
30.69155195 7.28780558 -7.70607904
-0.00022903 0.00001734 0.00004828
-0.01855194 0.01099671 0.01709608
5.77740461 -30.04689053 -5.40602726
-0.00046614 0.00003461 0.00040163
0.00080160 -0.01571775 0.01952535
4.10076825 -30.53479859 -3.07795808
0.00001033 -0.00091842 -0.00072534
0.00579094 0.00186630 -0.00139956
-12.30703207 -2.42058681 -12.98344090
0.00002367 0.00012882 -0.00040683
0.00059613 0.01887156 -0.00314832
-11.89942596 0.59176976 -12.82892008
0.00073582 0.00098431 0.00007554
-0.00047955 -0.02013212 0.00829331
-38.12069203 3.45602123 2.10275200
0.00118596 0.00030754 0.00013204
-0.00160945 0.03329051 -0.02662359
-39.59088805 1.34190483 3.24788621
-0.00024077 0.00013156 0.00051777
-0.00422136 -0.00115707 0.00432158
-10.14857173 -2.96751771 0.92135975
0.00065235 -0.00024062 -0.00098416
0.01029239 -0.00454720 0.01848164
-7.91521491 -3.93711968 2.67000743
0.00097524 -0.00013494 0.00138999
-0.00259980 -0.00058785 0.00228066
0.05028437 -0.15368999 7.13625596
0.00026652 -0.00010502 -0.00018288
0.01293973 -0.00023879 0.04206785
2.03201710 0.95559947 9.01726513
-0.00028545 0.00011593 -0.00090982
0.00534215 0.00611563 0.00135253
-31.71870148 0.98820973 2.12923709
-0.00069583 -0.00059892 0.00124675
-0.00787791 0.01191690 -0.00069325
-34.23930084 2.57043423 2.31623384
0.00038045 0.00085190 0.00006404
0.03132469 -0.00017508 -0.00852520
12.51289490 12.81084442 -15.20982219
0.00090562 0.00049099 0.00095600
-0.00920665 -0.01088974 -0.01952171
15.50492987 13.33544139 -15.08904284
0.00112844 -0.00002908 -0.00045153
-0.01241467 -0.01128366 -0.00188085
-3.83515527 8.91713071 4.52257244
-0.00002197 0.00038137 -0.00008313
-0.00510010 -0.01261988 0.01393333
-2.82412801 6.96479367 2.65485623
-0.00040942 0.00013378 -0.00177778
-0.01632096 -0.00903146 0.02169120
5.67906345 16.49618952 -10.41786396
0.00018009 -0.00029155 0.00110918
0.00391077 -0.00647663 -0.00252921
7.48472931 16.96435971 -8.16584561
-0.00017539 -0.00010585 0.00044361
0.00406221 -0.00085121 -0.00054776
7.94245229 7.22324378 -22.58067028
0.00072812 -0.00000280 -0.00029104
0.00580134 0.00049657 -0.00420824
8.17326093 7.34785473 -19.73179800
0.00012877 0.00021853 0.00008526
0.00210432 0.00432065 0.00086389
21.96678902 17.75804172 -1.91987900
-0.00045520 0.00074873 -0.00080129
0.01192394 -0.01016931 -0.00474442
24.36952375 18.42021349 -3.41537588
0.00059446 -0.00049212 0.00016436
0.00823285 0.01294347 -0.01415534
0.89411285 11.09598639 -21.90736034
0.00086171 -0.00030357 0.00070991
0.00909616 0.02893708 0.01652569
1.09601705 14.13206140 -22.37409563
-0.00074808 0.00051172 0.00061802
-0.00037685 -0.00690125 0.00010916
9.97790051 -5.48603558 -1.52979121
-0.00066321 -0.00116586 0.00022378
0.00552160 0.01111033 -0.00439033
8.62558258 -2.82220235 -1.37011460
-0.00005627 0.00108557 -0.00104874
0.02945096 -0.01251168 -0.01769883
-19.07346635 -4.10805886 4.99750928
0.00035587 -0.00057652 -0.00017366
-0.00061636 0.01048797 0.00668711
-17.49269289 -3.15442309 2.88806717
0.00050212 -0.00029503 0.00032292
-0.00200759 0.01180464 0.01794845
-15.13527661 -0.08332452 16.84886475
-0.00070821 0.00037504 -0.00033694
-0.00081123 0.00169381 0.01166766
-14.07293033 1.54769342 18.96128628
0.00063605 -0.00054619 -0.00002259
-0.01133762 -0.01886721 -0.00124988
3.08393106 3.63316326 -4.57852950
0.00047315 -0.00074251 -0.00006250
-0.00167928 -0.00623426 0.01407163
4.12560923 1.34715368 -2.93525304
-0.00132473 -0.00074649 -0.00086909
-0.01396334 0.02058772 -0.00841781
22.93956084 -9.39105728 -10.20884718
-0.00010277 0.00012244 0.00020899
-0.00095716 0.01244587 -0.00024385
24.97037401 -7.93396432 -8.79187807
-0.00079680 -0.00012131 -0.00005178
0.01823486 0.00608533 0.01288734
1.92742232 -8.11276585 4.93254626
0.00088291 -0.00067891 0.00057253
0.00132394 -0.01182240 -0.02377031
2.80157833 -7.27290025 7.43468053
-0.00050720 -0.00077127 0.00058129
-0.00213154 -0.00787970 0.01146964
-4.27984355 -3.02732644 -17.59496213
0.00056294 0.00103468 0.00008253
-0.00357555 -0.00350396 0.00515256
-4.78978237 -0.19313947 -17.23258245
0.00018906 -0.00000063 0.00104470
-0.01168870 -0.00584968 0.00378484
2.26162293 4.94994037 -12.05303961
-0.00004620 -0.00099846 0.00038293
0.02167333 0.00075237 0.00063001
2.06609792 3.47128085 -9.79204817
0.00022097 0.00003004 0.00073227
0.00795071 -0.00026067 0.00999569
-1.33642382 15.66827023 13.52482737
0.00088822 0.00103625 0.00031281
0.00348780 0.01033212 -0.00634543
-2.62551806 17.08351733 15.57293964
0.00104292 -0.00036507 -0.00047142
-0.00508241 0.00665918 0.03591417
-1.83618645 0.85546310 -5.72997811
0.00068183 -0.00020918 0.00034439
0.00337943 -0.00173085 0.01487765
-3.05888327 0.94598092 -8.26028647
0.00019458 -0.00095774 -0.00107864
-0.00576514 0.00237858 -0.01186855
-7.90424516 -2.92623695 -5.16838918
0.00025347 0.00081939 0.00029010
-0.03370464 -0.01759628 -0.01418996
-7.21782698 -0.28802589 -4.15816450
-0.00062361 -0.00069697 -0.00005294
-0.00078700 -0.00434070 -0.00003401
1.37748596 28.66196089 5.90407034
-0.00008704 -0.00028829 -0.00001716
0.03967005 0.01001351 -0.03341284
-1.19162897 28.28033198 6.32375163
-0.00068595 0.00080808 0.00053389
-0.06010331 -0.00031645 -0.01898409
8.25040773 -9.19922547 -2.01601872
-0.00030862 -0.00004150 -0.00014843
0.00485943 0.00488414 -0.00683525
9.91772031 -9.82769674 0.27732458
-0.00021433 -0.00061941 -0.00083252
0.00900563 0.01164664 -0.01718064
-5.45951727 -0.27510123 8.84492706
0.00042189 0.00070898 -0.00004445
-0.03059597 0.01370274 -0.01130666
-8.31690782 -0.59274245 7.99870362
-0.00050680 0.00085079 -0.00014844
-0.00531848 -0.00418004 0.00502604
19.82270809 11.42761570 7.47821098
0.00106992 -0.00013603 -0.00003551
0.01562668 -0.00637205 0.02595535
19.48758776 12.78134633 5.08453198
0.00029932 -0.00002245 0.00112797
0.00720034 0.01475415 -0.00868743
-3.52073524 -3.18045681 -21.72457805
0.00073727 0.00103238 -0.00107517
-0.01372723 0.03555129 0.03619457
-4.49064542 -3.42107239 -24.57901333
-0.00026928 0.00056588 0.00109838
0.00002342 0.00449569 0.01713145
-12.59313692 9.08840530 9.38549455
0.00046884 0.00060684 -0.00059727
0.00053582 -0.00093446 0.00801949
-13.11472705 9.03867697 6.57606593
0.00004658 -0.00044268 0.00025791
-0.00051728 -0.00288136 0.00263194
-12.65078142 7.37049613 -4.16509950
0.00023177 0.00007115 -0.00023063
0.00106810 0.00482476 -0.00952851
-11.44875894 9.38384871 -2.38144236
0.00032124 0.00038897 -0.00022042
0.00264854 0.02129795 -0.00187883
-4.76769789 -17.16751884 20.25784139
-0.00008296 -0.00042589 0.00026813
0.03752553 0.02614968 -0.00395286
-1.81426033 -17.47194605 19.98222816
-0.00025139 0.00071553 -0.00022783
-0.01647057 0.01935352 0.00189959
-3.27936966 5.50837552 -6.91399202
-0.00114770 0.00044911 0.00042641
0.00456878 -0.00477311 -0.00214085
-3.52377681 8.43900827 -7.04025993
0.00033182 -0.00119534 -0.00052285
0.00174735 -0.00851657 -0.00178261
-20.91453546 28.50803380 -0.09608705
-0.00022288 -0.00061175 -0.00002792
-0.00983360 0.00228075 0.00334947
-18.82913670 29.15802634 1.56678602
0.00091595 -0.00038188 0.00034258
-0.01425978 0.01390964 0.00607145
8.85811807 2.75313381 6.16010180
0.00068850 -0.00063363 -0.00050158
-0.03299580 -0.02821595 -0.04497729
8.92601675 4.92886090 7.80657287
0.00070049 -0.00086689 -0.00030151
-0.00123832 0.02239344 0.01510276
6.99427552 14.48545594 -15.16366871
0.00027840 0.00076968 -0.00012199
-0.01012113 -0.00790974 0.02543612
5.80421776 12.48626188 -13.15844751
0.00098658 0.00119344 -0.00015711
0.01758169 0.04288858 -0.01246935
13.29059800 5.24443039 -3.63879287
0.00005904 -0.00019274 0.00107409
-0.01052535 0.01831181 -0.01300365
13.68109861 4.10171699 -1.12946990
-0.00039943 0.00048975 0.00106393
-0.00511752 -0.01071651 -0.00611477
-5.69098697 9.69785218 0.24807789
0.00061241 -0.00035811 0.00010541
0.01794531 -0.03826669 0.01630171
-7.76812864 11.59580438 0.53564921
-0.00079525 -0.00152905 -0.00068700
-0.00553471 -0.00533586 -0.00311437
4.49532884 12.77753043 2.17897256
0.00001663 -0.00012512 -0.00017728
0.00036903 -0.00917963 -0.00358789
7.32516693 11.69247958 2.87992179
-0.00051442 0.00117432 -0.00080840
-0.03515138 0.02926658 0.00680023
20.37314163 -12.98825534 -10.71874450
-0.00002221 0.00042262 0.00043218
-0.02866410 -0.01963747 0.02100558
22.30981350 -13.56505734 -12.71492744
-0.00066665 -0.00051636 -0.00069784
0.00489628 -0.01516613 -0.01447312
17.73154531 -6.51345680 1.76591238
0.00072201 0.00050277 0.00115328
-0.01673470 0.01571683 0.02625523
15.87244967 -7.92869108 3.18720032
0.00069936 -0.00094363 -0.00012201
-0.01905454 -0.01606620 0.01110187
14.00790231 8.50731442 10.65845818
-0.00043031 0.00007121 0.00065167
0.00166263 -0.00406842 -0.00092806
16.32114788 6.92302405 11.47461873
0.00058801 -0.00058809 -0.00067725
-0.00701147 0.00059795 -0.01288727
2.96490357 -13.65895067 14.74816569
-0.00049670 0.00113514 -0.00028669
-0.00007919 0.01495371 0.01176232
3.96483222 -12.50304752 17.53515860
-0.00078883 0.00020601 -0.00064077
-0.00640402 0.00124286 -0.02535777
-3.27312726 -2.45247384 -10.12767937
-0.00008001 -0.00003836 -0.00063954
-0.00676923 0.00963621 0.00082798
-1.91596476 -0.33946484 -11.54818492
0.00083167 -0.00021068 -0.00030805
-0.00363579 0.00397226 0.00014928
14.87779610 -7.71966603 -11.28675771
0.00007691 0.00035566 0.00108038
-0.00439312 -0.00930285 0.00941338
16.66574834 -6.89620736 -9.12530536
0.00033279 -0.00002166 0.00108915
0.01990474 0.01080199 0.00811928
6.89604434 -2.78186329 6.26248890
-0.00033585 -0.00006627 0.00024734
0.02243227 -0.00040511 -0.01884725
9.71928298 -2.77187780 4.91656801
0.00105465 -0.00081543 0.00004070
0.00841644 0.00591520 -0.02353663
-21.88568583 1.76385284 22.79819892
0.00025433 -0.00100121 -0.00013244
0.01244421 -0.00263079 0.02599778
-22.58409677 0.47529821 25.36342222
-0.00027559 0.00026692 0.00001910
0.01066111 0.01098653 -0.01429274
25.43283723 -3.02362508 -7.56280671
0.00004113 0.00039042 -0.00018945
0.01114989 -0.01285119 -0.00625345
23.68260064 -0.78077354 -7.40203971
-0.00006051 0.00072389 0.00065560
-0.00127656 0.00149602 0.00555127
10.83864849 -12.63457750 -8.56310200
0.00146876 -0.00033750 0.00004756
-0.00590718 -0.00576237 0.01077323
12.61608086 -10.43568607 -9.57321471
-0.00048731 0.00001486 0.00043345
0.01881570 0.02495531 0.01250241
-5.58974944 -10.45215550 18.37433664
0.00054084 -0.00010912 0.00082239
0.01052981 -0.00204730 -0.00444252
-6.27260815 -9.68393998 15.72351162
0.00100564 -0.00048000 -0.00028868
-0.00815582 0.00460591 -0.01745006
8.64623490 0.85491533 -31.53668110
0.00001153 0.00029781 -0.00073977
0.00570321 -0.00070249 -0.00396288
6.29225373 2.48801544 -31.01344306
0.00032251 -0.00009299 -0.00046900
0.01532516 -0.00569159 0.00222016
11.17846623 18.71341032 13.57777985
0.00079979 -0.00142384 0.00000262
-0.00499206 -0.01545887 0.01298285
12.17877248 16.11994470 14.55261365
-0.00006135 -0.00059775 0.00013823
-0.01545565 0.01140975 -0.00205849
30.40322211 5.56797801 -8.27616517
0.00035154 -0.00023714 0.00025761
0.00575067 -0.00426323 0.00092856
29.02257197 7.93573634 -7.19043928
0.00135813 -0.00045880 -0.00039083
0.01233857 -0.00951722 -0.00590451
-8.38113419 4.97029495 5.67525596
-0.00011452 -0.00020047 -0.00011840
0.00554994 0.00262184 0.00941149
-10.77514448 10.12540303 3.49947299
0.00003979 0.00004783 -0.00014322
0.00123425 -0.00020031 0.00077717
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07862419
0.31998849
426.36861939
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.592 s
total exchange = -52.3745736712 (a.u.)
total exchange computation time: 2.7430939674 s
-154.2357204462
-931.40046522
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.589 s
total exchange = -52.3742314932 (a.u.)
total exchange computation time: 2.7430310249 s
-154.2391326240
Anderson extrapolation: theta=1.3498826309 (1.3498826309)
-931.40067708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.590 s
total exchange = -52.3736768027 (a.u.)
total exchange computation time: 2.7452559471 s
-154.2442747368
Anderson extrapolation: theta=0.0527972026 (0.0527972026)
-931.40080343
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.590 s
total exchange = -52.3735714598 (a.u.)
total exchange computation time: 2.7428181171 s
-154.2450364190
Anderson extrapolation: theta=1.8994944014 (1.8994944014)
-931.40080816
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.591 s
total exchange = -52.3733426856 (a.u.)
total exchange computation time: 2.7415859699 s
-154.2466245469
Anderson extrapolation: theta=0.2216162789 (0.2216162789)
-931.40081310
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.592 s
total exchange = -52.3732801297 (a.u.)
total exchange computation time: 2.7428231239 s
-154.2470006385
Anderson extrapolation: theta=1.8343940558 (1.8343940558)
-931.40081404
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.595 s
total exchange = -52.3731797472 (a.u.)
total exchange computation time: 2.7435190678 s
-154.2475369673
Anderson extrapolation: theta=0.2903528048 (0.2903528048)
-931.40081518
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.591 s
total exchange = -52.3731668936 (a.u.)
total exchange computation time: 2.7432529926 s
-154.2475370247
Anderson extrapolation: theta=1.3089283761 (1.3089283761)
-931.40081545
-256.375138 122.377423 8.886700
565.660084 1066.919955 -419.480927
309.284947 1189.297378 -410.594227
1295.636157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1385613845
ExchangeOperator: bisection time: 2.590 s
total exchange = -52.3731636274 (a.u.)
total exchange computation time: 2.7336049080 s
678.79664912
-1083.87905033
89.88069817
-389.00440683
-174.82154216
78.34002018
551.60419304
0.00000000
-931.40081565
5.64975352 -31.15164367 -3.86570902
-0.00001642 -0.00013925 0.00028195
-0.01247367 0.01439401 -0.02508578
-11.70037881 -1.03457016 -11.86625705
-0.00030587 -0.00004506 -0.00000721
0.00168044 0.01245748 0.00174248
-38.06516869 2.32747438 3.45248936
0.00007347 0.00003448 -0.00018863
0.00730493 -0.02836356 0.02281160
-9.34746895 -2.77678583 2.64156783
-0.00074159 0.00000018 -0.00022970
-0.00985973 0.00370612 -0.02342758
0.58600605 -0.13869023 8.98156955
0.00019034 -0.00019656 0.00013705
-0.01134727 -0.00657223 -0.04986494
-32.38433694 2.73700681 1.93620466
-0.00012052 0.00019219 -0.00036688
-0.01583999 -0.02029460 0.01338964
13.86381967 13.48497815 -14.27355781
0.00000751 0.00015591 -0.00031841
0.04004390 0.02947015 0.02771318
-3.85120583 7.05687189 4.25323885
-0.00043099 0.00003028 -0.00015227
0.02093964 0.01440695 -0.04187520
5.70991883 16.69118531 -8.59599724
0.00016408 0.00001547 0.00008143
-0.00170351 0.00260927 0.01329539
6.94816076 7.00215595 -21.04110759
-0.00037270 0.00041680 0.00003935
-0.00558178 -0.00615592 0.00165694
23.66049308 17.08800868 -2.42776888
-0.00045112 0.00000560 0.00034649
-0.01876324 -0.00700213 0.01785500
1.33603778 12.78813539 -21.13100201
0.00004822 0.00014794 0.00016778
-0.00836965 -0.01968949 -0.01557190
10.27696364 -3.65328363 -1.81684669
0.00031142 0.00026322 0.00010674
-0.03362941 -0.00957898 0.02464303
-18.03349725 -2.63125928 4.60419958
0.00039032 0.00007506 0.00023488
-0.01371146 -0.02732438 -0.02541998
-15.19740933 0.08018247 18.69777836
-0.00022791 0.00013967 -0.00019196
0.01690919 0.01510257 -0.00153818
2.79694391 2.71288047 -3.00334954
0.00004623 0.00007795 0.00017056
0.00047714 -0.00268516 -0.00034152
23.36849214 -7.68738593 -9.53703600
0.00010596 -0.00020569 -0.00009551
-0.01988045 -0.02846608 -0.02201953
1.34860205 -8.03710570 6.62343103
0.00017339 0.00006964 0.00023808
-0.00497357 0.01390260 0.00916069
-3.87650613 -1.39046919 -18.27318367
0.00011567 0.00034693 0.00018744
0.02542735 0.01232524 -0.01302303
3.42854151 4.21863241 -10.77471975
-0.00033969 0.00021831 0.00010387
-0.03223422 -0.00454126 -0.00396781
-2.67957380 16.95401920 13.81869404
0.00001218 -0.00020404 0.00012739
-0.00601702 -0.00513096 -0.03057743
-2.17433712 2.03195247 -7.05249398
-0.00021374 0.00026246 -0.00002836
0.00602209 -0.00368103 0.00834405
-6.64038096 -2.02042759 -4.35617235
-0.00008494 -0.00009583 -0.00013031
0.03927270 0.02543219 0.01858374
0.32116892 28.15729938 7.20060672
0.00015061 0.00007239 0.00024218
0.01792483 -0.01006365 0.05041927
10.02179816 -9.10338701 -1.45819375
0.00008334 -0.00001776 0.00006045
-0.00924912 -0.01238096 0.01744896
-6.80779453 0.31392887 7.57130164
-0.00011212 0.00005665 0.00008742
0.03383107 0.00229518 0.01269873
18.56612380 11.78215304 6.26040671
-0.00006075 -0.00008471 0.00012121
-0.01266961 -0.00677924 -0.00940071
-3.26877468 -3.97404561 -23.25964802
0.00000881 -0.00005226 -0.00012383
0.01249634 -0.03241413 -0.04966633
-13.65287247 8.23962751 8.15702988
0.00000336 0.00003458 0.00032531
-0.00356527 0.00691539 -0.00403557
-11.85809564 7.63186014 -2.54493995
-0.00047267 -0.00040228 -0.00015162
-0.00051522 -0.01475382 0.00264018
-3.09357574 -16.16315735 20.39775442
-0.00038197 -0.00024590 0.00001294
-0.02405739 -0.04210472 -0.00114315
-3.07249175 6.93419357 -8.03043068
-0.00035210 0.00002357 0.00027248
-0.01011437 0.01307654 -0.00244996
-20.68480770 29.49282068 1.43406355
-0.00019332 0.00016387 -0.00009210
0.03455260 -0.01068837 -0.01320365
9.75722503 3.33803644 7.52330041
0.00000733 -0.00014164 0.00007171
0.03531609 -0.00350323 0.02748847
6.35428220 14.32122375 -13.38282588
0.00000669 0.00022029 0.00057952
-0.00306922 -0.02555586 -0.02025704
14.17144447 3.87733667 -2.90033099
-0.00007722 -0.00024009 -0.00012242
0.01681829 -0.01566036 0.03282526
-6.37003209 11.10211400 -0.53479860
0.00015406 -0.00004064 0.00007151
-0.01088459 0.03566817 -0.01206605
6.00276015 13.05667284 3.19500550
0.00035415 0.00014618 -0.00007511
0.02990111 -0.01442646 0.00040758
21.84634638 -12.36030143 -11.46250504
0.00020904 0.00023702 -0.00027759
0.02313707 0.03180311 -0.00806212
16.66341499 -6.32975074 3.35907628
0.00004977 0.00008025 0.00004068
0.03225051 -0.00636836 -0.04275203
15.22621604 7.27309456 10.00278684
0.00018263 -0.00012404 -0.00023557
0.00299313 0.00055159 0.01045646
3.14631205 -13.85057618 16.56201325
-0.00022985 0.00002288 -0.00004290
0.00506853 -0.01637887 0.00444379
-3.56199867 -0.69181825 -10.72223803
-0.00009363 -0.00044577 0.00004845
0.00832999 -0.02011724 -0.01129292
15.26403716 -7.97551546 -9.47527922
0.00024891 0.00004698 -0.00032973
-0.02267777 0.00229155 -0.00773681
8.72137137 -3.22023659 6.31960735
0.00030249 -0.00034534 -0.00002243
-0.02237667 -0.01480786 0.03790327
-21.31988389 1.61552864 24.58371604
-0.00024299 0.00001213 -0.00012908
-0.02214039 -0.01284438 -0.01443512
24.93217567 -1.69645414 -6.44011910
-0.00004573 -0.00007631 -0.00011275
-0.00841335 0.01107145 0.00018771
11.57971899 -11.80544985 -9.98124529
0.00017213 -0.00007675 -0.00001074
-0.01157999 -0.01788050 -0.03175924
-4.86237750 -10.23384125 16.67547630
-0.00014995 0.00005209 -0.00027448
0.01117828 -0.01385754 0.03353224
7.99058098 2.09264183 -30.33876259
0.00036974 0.00051552 -0.00034089
-0.02216884 0.00091495 -0.01143583
10.81583875 17.37217941 14.85460881
0.00000312 -0.00037614 -0.00014315
0.02312877 0.00328004 -0.02022906
30.68804488 7.28810814 -7.70528894
-0.00023572 0.00002176 0.00005616
-0.00743051 0.00616867 0.01356034
5.77043708 -30.04685308 -5.39940455
-0.00046124 -0.00002955 0.00047999
0.00159810 -0.01568863 0.01883547
4.10110071 -30.54851771 -3.08888107
0.00002495 -0.00090812 -0.00072473
0.00136214 0.00317398 0.00169850
-12.30665872 -2.41807617 -12.98963982
0.00002544 0.00020578 -0.00042063
0.00027099 0.01879988 -0.00360769
-11.88840331 0.60591754 -12.82753280
0.00073338 0.00089452 0.00011252
-0.00071584 -0.02382209 0.00980738
-38.10295190 3.46165440 2.10391671
0.00117752 0.00044269 0.00002260
-0.00252256 0.03286856 -0.02694497
-39.59462897 1.34384274 3.25578525
-0.00025581 0.00012966 0.00053347
-0.00314153 0.00022839 0.00336084
-10.13847113 -2.97126635 0.90716370
0.00069365 -0.00025966 -0.00090787
0.00992432 -0.00477175 0.01886419
-7.90066592 -3.93916176 2.69092716
0.00094822 -0.00012529 0.00139752
-0.01062819 0.00531017 0.00140467
0.05467868 -0.15527259 7.13480180
0.00031843 -0.00010720 -0.00000903
0.01247293 -0.00082736 0.04303241
2.02789905 0.95752578 9.00365930
-0.00026054 0.00014307 -0.00090210
0.00685127 0.00717151 0.00242397
-31.72938027 0.97959103 2.14791717
-0.00072966 -0.00054304 0.00124170
-0.00868324 0.01543871 -0.00177985
-34.23263414 2.58320736 2.31693314
0.00050208 0.00085089 0.00002971
0.02820974 -0.00032109 -0.00827577
12.52619705 12.81787560 -15.19608044
0.00084740 0.00043578 0.00086109
-0.01929298 -0.01613815 -0.02693619
15.52147599 13.33465947 -15.09587346
0.00106344 -0.00007427 -0.00045217
-0.01939990 -0.01083979 0.00156730
-3.83564103 8.92246459 4.52175241
-0.00004288 0.00032585 -0.00002713
-0.00513934 -0.01455745 0.01348016
-2.83076950 6.96652357 2.62885423
-0.00048347 0.00009770 -0.00167572
-0.01992336 -0.00862887 0.02826683
5.68188461 16.49161783 -10.40130375
0.00019600 -0.00031949 0.00108355
0.00387916 -0.00720040 -0.01001568
7.48222300 16.96274594 -8.15920818
-0.00015550 -0.00010869 0.00044170
0.00567166 -0.00053876 -0.00038702
7.95355187 7.22321696 -22.58516477
0.00074537 -0.00000204 -0.00030043
0.00264412 -0.00012257 -0.00039085
8.17525691 7.35126514 -19.73049265
0.00013367 0.00023567 0.00008611
0.00029731 0.00406673 -0.00044587
21.96032640 17.76896100 -1.93204366
-0.00040696 0.00070685 -0.00081989
0.01169159 -0.01033182 -0.00436134
24.37869291 18.41322830 -3.41334427
0.00062685 -0.00044177 0.00010856
0.00762182 0.01170602 -0.01316058
0.90731721 11.09231952 -21.89620524
0.00089768 -0.00018555 0.00077578
0.00851076 0.02883602 0.01571582
1.08478429 14.13952567 -22.36482199
-0.00074920 0.00048181 0.00061806
-0.00017225 -0.00773884 -0.00009112
9.96812151 -5.50318308 -1.52656902
-0.00063752 -0.00110166 0.00020347
0.00705645 0.02031687 -0.00555299
8.62564106 -2.80630220 -1.38638798
0.00006739 0.00103176 -0.00112090
0.03107950 -0.01382699 -0.01762522
-19.06814722 -4.11638521 4.99510928
0.00035642 -0.00052853 -0.00014657
0.00088427 0.01300081 0.00657284
-17.48522265 -3.15848680 2.89346097
0.00049475 -0.00024578 0.00039591
-0.00159923 0.01230442 0.01777952
-15.14592464 -0.07764707 16.84416814
-0.00071075 0.00038198 -0.00028789
-0.00043140 0.00170495 0.01234532
-14.06373706 1.53892239 18.96090917
0.00058927 -0.00062252 -0.00002784
-0.01156044 -0.01849747 -0.00132253
3.09097692 3.62183455 -4.57903582
0.00046548 -0.00076542 -0.00000710
-0.00207539 -0.00497891 0.01304810
4.10531042 1.33658718 -2.94854735
-0.00137796 -0.00066512 -0.00090071
-0.01209351 0.01924361 -0.00706182
22.93799003 -9.38883933 -10.20571980
-0.00010774 0.00016924 0.00020611
-0.00147835 0.01046490 -0.00116697
24.95898084 -7.93559751 -8.79225989
-0.00070961 -0.00009839 0.00000660
0.02444495 0.00513376 0.01569236
1.94070657 -8.12331181 4.94040582
0.00088855 -0.00072733 0.00047550
0.00143725 -0.01187897 -0.02372718
2.79390494 -7.28471080 7.44375141
-0.00050721 -0.00079851 0.00063320
0.00212885 -0.00545198 0.01393748
-4.27150896 -3.01191359 -17.59356632
0.00054627 0.00100829 0.00010765
-0.00458743 -0.00941610 0.00714256
-4.78730458 -0.19332819 -17.21679604
0.00014275 -0.00002546 0.00105754
-0.01098098 -0.00630569 0.00250014
2.26159402 4.93498647 -12.04727628
0.00003555 -0.00099036 0.00037834
0.01834767 0.00321637 -0.00287760
2.06965609 3.47172345 -9.78075784
0.00025344 0.00002960 0.00077265
0.00794616 0.00004432 0.00977109
-1.32299362 15.68413062 13.52932502
0.00090369 0.00107493 0.00028400
0.00408299 0.00859876 -0.00775473
-2.61003000 17.07824531 15.56696879
0.00102149 -0.00033587 -0.00031372
-0.00540701 0.00763339 0.04128347
-1.82585548 0.85227233 -5.72435641
0.00069233 -0.00020806 0.00039492
0.00176220 0.00227830 0.00985819
-3.05614117 0.93168776 -8.27682972
0.00017794 -0.00093986 -0.00111638
-0.00238253 0.00636950 -0.00660475
-7.90147592 -2.91448535 -5.16447244
0.00010405 0.00073677 0.00022421
-0.03943823 -0.02284517 -0.01806708
-7.22720531 -0.29861344 -4.15895958
-0.00062709 -0.00070823 -0.00005166
-0.00091341 -0.00117249 0.00065859
1.37739597 28.65794336 5.90278914
0.00007364 -0.00024790 -0.00015375
0.03898571 0.00975677 -0.03345236
-1.20375993 28.29244355 6.33117829
-0.00091844 0.00080636 0.00046250
-0.05370280 -0.00052751 -0.01596426
8.24592726 -9.19969824 -2.01845456
-0.00028361 -0.00002115 -0.00017531
0.00738558 0.00507759 -0.00632483
9.91478139 -9.83663102 0.26431034
-0.00017712 -0.00057420 -0.00089463
0.00920465 0.01048228 -0.01322309
-5.45412641 -0.26404665 8.84391379
0.00029436 0.00076331 -0.00008999
-0.03183100 0.01289134 -0.01098313
-8.32467284 -0.58010870 7.99663100
-0.00052876 0.00083182 -0.00012610
-0.00543136 -0.00510445 0.00590864
19.83923578 11.42537997 7.47847363
0.00112366 -0.00016070 0.00006356
0.01067573 -0.00570227 0.02254122
19.49229819 12.78146163 5.10118531
0.00033130 0.00004262 0.00108593
0.00845310 0.01709843 -0.01189169
-3.51009691 -3.16388164 -21.73959655
0.00068206 0.00118043 -0.00091994
-0.01329372 0.03691838 0.03979190
-4.49468395 -3.41244640 -24.56201265
-0.00027201 0.00058410 0.00116160
-0.00135977 0.00442181 0.01381338
-12.58608795 9.09747933 9.37678129
0.00047093 0.00060275 -0.00056260
0.00049103 -0.00106813 0.00894925
-13.11404424 9.03194848 6.58001527
0.00004414 -0.00045383 0.00026599
-0.00067344 -0.00257790 0.00132229
-12.64727217 7.37171125 -4.16885100
0.00023371 0.00008960 -0.00027378
-0.00011515 0.00420754 -0.01159111
-11.44385917 9.39033592 -2.38480618
0.00032843 0.00046014 -0.00022916
0.00086872 0.01353995 -0.00240005
-4.76779240 -17.17310584 20.26174223
0.00006833 -0.00032027 0.00025147
0.03653261 0.02554931 -0.00420237
-1.81853591 -17.46062001 19.97886888
-0.00031384 0.00078890 -0.00022166
-0.01409907 0.01655833 0.00112138
-3.29644511 5.51496594 -6.90766144
-0.00112870 0.00042686 0.00041797
0.00473228 -0.00612144 -0.00199326
-3.51874600 8.42081723 -7.04815732
0.00033353 -0.00121086 -0.00051894
-0.00091025 0.00091958 0.00369856
-20.91818006 28.49892749 -0.09640328
-0.00026119 -0.00059933 -0.00000952
-0.00891696 0.00379863 0.00566105
-18.81583449 29.15272433 1.57211081
0.00084396 -0.00032267 0.00036494
-0.02097574 0.01507389 0.00487339
8.86743455 2.74276479 6.15119979
0.00055770 -0.00074562 -0.00067871
-0.03103255 -0.02660472 -0.04172803
8.93648615 4.91654381 7.80251307
0.00068751 -0.00076250 -0.00023773
-0.00511425 0.02870507 0.01611723
6.99814133 14.49675872 -15.16471917
0.00023435 0.00073702 -0.00000924
-0.01144144 -0.00807806 0.02975834
5.81955520 12.50547774 -13.16118626
0.00105334 0.00135350 -0.00020508
0.01509936 0.03546048 -0.01101130
13.29116101 5.24210035 -3.62308001
0.00001169 -0.00011088 0.00101545
-0.01265281 0.02176043 -0.01570202
13.67495036 4.10873492 -1.11369836
-0.00041486 0.00044192 0.00102272
-0.00243553 -0.01269679 -0.01405588
-5.68125096 9.69130785 0.25015863
0.00068164 -0.00050556 0.00016694
0.01594587 -0.03390951 0.01381769
-7.78022697 11.57270511 0.52524881
-0.00081920 -0.00154991 -0.00069814
-0.00618799 -0.00487327 -0.00233972
4.49558961 12.77537237 2.17620344
0.00002190 -0.00016042 -0.00018872
0.00221180 -0.00810280 -0.00201439
7.31637348 11.71099126 2.86800422
-0.00064778 0.00128393 -0.00078147
-0.03012695 0.02438573 0.00637934
20.37193020 -12.98251773 -10.71161813
-0.00013131 0.00034619 0.00051398
-0.02474178 -0.01777685 0.01903639
22.29996377 -13.57326744 -12.72583853
-0.00064849 -0.00057240 -0.00075014
0.00399395 -0.01226891 -0.01112612
17.74186267 -6.50543361 1.78401609
0.00065625 0.00056617 0.00125457
-0.01545654 0.01531750 0.02332603
15.88235620 -7.94333779 3.18571039
0.00062675 -0.00099862 -0.00007656
-0.01648975 -0.01085490 0.01114400
14.00149862 8.50825788 10.66820479
-0.00041571 0.00004735 0.00064420
0.00548405 -0.00760955 -0.00272941
16.32975322 6.91422109 11.46406510
0.00055892 -0.00058498 -0.00072901
-0.00723137 0.00092226 -0.01245213
2.95745057 -13.64146539 14.74422583
-0.00049677 0.00119390 -0.00023318
0.00004849 0.01380952 0.01442706
3.95280361 -12.49991921 17.52477004
-0.00081208 0.00021476 -0.00073950
-0.00497778 0.00303830 -0.02297340
-3.27453479 -2.45275392 -10.13724715
-0.00010709 -0.00000588 -0.00063335
-0.00648619 0.00626045 0.00220279
-1.90360119 -0.34250334 -11.55280109
0.00080687 -0.00019641 -0.00030260
-0.00850398 0.00301409 0.00251769
14.87881507 -7.71461624 -11.27026353
0.00005751 0.00032092 0.00110279
-0.00510026 -0.00770360 0.00155610
16.67135015 -6.89620119 -9.10871934
0.00040964 0.00001929 0.00111954
0.01771355 0.00924295 0.00675712
6.89169400 -2.78286974 6.26562143
-0.00023616 -0.00006950 0.00016932
0.02636465 -0.00117444 -0.01934431
9.73536069 -2.78392804 4.91645726
0.00108571 -0.00079234 -0.00005248
0.00678814 0.00538825 -0.02207545
-21.88148957 1.74875410 22.79700898
0.00030407 -0.00101088 -0.00002968
0.01190373 -0.00210143 0.02430119
-22.58790388 0.47963866 25.36327075
-0.00023293 0.00031094 -0.00003848
0.01021834 0.01056407 -0.01389492
25.43379589 -3.01816261 -7.56584013
0.00008700 0.00033569 -0.00021811
0.01130161 -0.01394104 -0.00777364
23.68165392 -0.76986934 -7.39203564
-0.00006517 0.00072895 0.00067763
-0.00100851 0.00097866 0.00523171
10.86049889 -12.63981653 -8.56205844
0.00144152 -0.00036423 0.00009541
-0.00742865 -0.00732233 0.01265001
12.60934781 -10.43469847 -9.56632987
-0.00040815 0.00011953 0.00048424
0.01993110 0.02628295 0.01235999
-5.58131420 -10.45385498 18.38653638
0.00058538 -0.00011541 0.00079335
0.01127567 -0.00103223 -0.00977410
-6.25777345 -9.69099880 15.71864665
0.00095680 -0.00045589 -0.00036768
-0.01575399 0.00719443 -0.02121853
8.64658265 0.85936098 -31.54789909
0.00003481 0.00029681 -0.00075290
0.00569246 0.00021084 -0.00246377
6.29756105 2.48644620 -31.02041003
0.00038384 -0.00011474 -0.00045957
0.01469639 -0.00495796 0.00239767
11.19031011 18.69157903 13.57821698
0.00077963 -0.00147930 0.00004971
-0.00487609 -0.01169126 0.01006882
12.17737868 16.11132805 14.55462396
-0.00012493 -0.00055154 0.00013095
-0.01566698 0.01121172 -0.00150463
30.40867137 5.56429027 -8.27227249
0.00037490 -0.00025320 0.00026191
0.00568775 -0.00359824 0.00117176
29.04332195 7.92856272 -7.19648265
0.00138632 -0.00048906 -0.00040866
0.00146470 -0.00529693 -0.00282256
-8.38283708 4.96729495 5.67350530
-0.00011250 -0.00019948 -0.00011503
0.00573106 0.00288168 0.00940612
-10.77454545 10.12612009 3.49732598
0.00004009 0.00004774 -0.00014306
0.00135653 -0.00052940 0.00062792
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07865185
0.32216380
429.26711440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.677 s
total exchange = -52.3768567912 (a.u.)
total exchange computation time: 2.6877439022 s
-154.2554705944
-931.40193110
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.681 s
total exchange = -52.3764546198 (a.u.)
total exchange computation time: 2.6884799004 s
-154.2592648289
Anderson extrapolation: theta=1.3656748686 (1.3656748686)
-931.40214794
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.682 s
total exchange = -52.3757992433 (a.u.)
total exchange computation time: 2.6877231598 s
-154.2650590602
Anderson extrapolation: theta=0.0593132339 (0.0593132339)
-931.40228082
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.681 s
total exchange = -52.3756748846 (a.u.)
total exchange computation time: 2.6884539127 s
-154.2659468122
Anderson extrapolation: theta=2.0924600069 (2.0000000000)
-931.40228700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.682 s
total exchange = -52.3753971237 (a.u.)
total exchange computation time: 2.6891558170 s
-154.2678586063
Anderson extrapolation: theta=0.2914186845 (0.2914186845)
-931.40229461
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.680 s
total exchange = -52.3753090202 (a.u.)
total exchange computation time: 2.6879410744 s
-154.2684006394
Anderson extrapolation: theta=1.5080809717 (1.5080809717)
-931.40229643
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.683 s
total exchange = -52.3751962613 (a.u.)
total exchange computation time: 2.6881000996 s
-154.2690199319
Anderson extrapolation: theta=0.3549973398 (0.3549973398)
-931.40229833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.681 s
total exchange = -52.3751787353 (a.u.)
total exchange computation time: 2.6875629425 s
-154.2690384961
Anderson extrapolation: theta=1.0629818163 (1.0629818163)
-931.40229887
-256.314224 122.331848 8.850991
565.720553 1066.908857 -419.452772
309.406329 1189.240705 -410.601781
1295.615511
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1392103840
ExchangeOperator: bisection time: 2.679 s
total exchange = -52.3751784391 (a.u.)
total exchange computation time: 2.6937241554 s
678.81988407
-1083.94073424
89.88215117
-388.96156592
-174.82685586
78.37917006
551.60419304
0.00000000
-931.40229922
5.64945915 -31.15367697 -3.86157658
-0.00002186 -0.00013227 0.00026856
-0.00868294 0.01278621 -0.02695242
-11.70496041 -1.03519804 -11.86635851
-0.00030488 -0.00003772 -0.00000651
0.00216304 0.01607522 0.00096961
-38.06403841 2.32788217 3.44974791
0.00007716 0.00001996 -0.00017693
0.00704535 -0.02810450 0.02266767
-9.35863090 -2.77676885 2.63803197
-0.00074464 0.00000078 -0.00024140
-0.00199541 -0.00136800 -0.02207482
0.58881735 -0.14166401 8.98343289
0.00018433 -0.00020002 0.00011118
-0.01201275 -0.00687860 -0.05071174
-32.38620586 2.73981141 1.93075317
-0.00012747 0.00018091 -0.00035987
-0.01118812 -0.02358265 0.01383534
13.86408671 13.48743053 -14.27822702
0.00003208 0.00017227 -0.00030309
0.05551465 0.03412708 0.03183049
-3.85758998 7.05738161 4.25079323
-0.00041942 0.00003798 -0.00017503
0.02408600 0.01553148 -0.04663075
5.71237344 16.69142749 -8.59472447
0.00016279 0.00001699 0.00009017
-0.00330429 0.00327100 0.02067913
6.94254878 7.00838423 -21.04051101
-0.00037429 0.00041386 0.00003957
-0.00060670 -0.00529011 -0.00078058
23.65365395 17.08806562 -2.42250266
-0.00046033 0.00000244 0.00035516
-0.01707528 -0.00527482 0.01585222
1.33672885 12.79027848 -21.12854533
0.00004413 0.00013813 0.00016014
-0.00754497 -0.01844947 -0.01416030
10.28150526 -3.64937225 -1.81515059
0.00029358 0.00025646 0.00011953
-0.03573774 -0.01673084 0.02510431
-18.02769537 -2.63023877 4.60762480
0.00038278 0.00006037 0.00022203
-0.01561318 -0.02981538 -0.02456340
-15.20076275 0.08233579 18.69489302
-0.00021928 0.00014713 -0.00019294
0.01663717 0.01389331 -0.00228219
2.79763915 2.71403941 -3.00079239
0.00004603 0.00007669 0.00017044
-0.00123101 -0.00223635 -0.00013735
23.37000480 -7.69058104 -9.53855361
0.00009455 -0.00021942 -0.00010718
-0.02446098 -0.02495381 -0.02334441
1.35118366 -8.03600743 6.62703757
0.00016975 0.00007620 0.00024187
-0.00915401 0.01161519 0.00555745
-3.87467298 -1.38521770 -18.27042224
0.00012873 0.00035487 0.00018058
0.02536061 0.01856407 -0.01365579
3.42332187 4.22188951 -10.77317703
-0.00035526 0.00021526 0.00010291
-0.02830661 -0.00731942 0.00022826
-2.67941427 16.95093886 13.82048694
0.00000896 -0.00020654 0.00011108
-0.00653050 -0.00461032 -0.03283311
-2.17751993 2.03587516 -7.05288722
-0.00021103 0.00025852 -0.00002412
0.00449402 -0.01165251 0.00815904
-6.64150363 -2.02176699 -4.35805532
-0.00006359 -0.00008249 -0.00012014
0.04377560 0.02645911 0.02095790
0.32349716 28.15834645 7.20443392
0.00015815 0.00006754 0.00026662
0.01141664 -0.00879114 0.04460374
10.02301261 -9.10370118 -1.45721970
0.00007793 -0.00002378 0.00006813
-0.01180095 -0.01103129 0.01241527
-6.80934582 0.31478746 7.57266199
-0.00009458 0.00005819 0.00009364
0.03438617 0.00369264 0.01146339
18.56516371 11.78085629 6.26218866
-0.00006608 -0.00008888 0.00011803
-0.00805762 -0.00945148 -0.00296261
-3.26859428 -3.97495447 -23.26169708
0.00001538 -0.00006902 -0.00014881
0.01305376 -0.03277747 -0.04744722
-13.65283580 8.24017294 8.16189397
0.00000161 0.00003811 0.00032333
-0.00325425 0.00680618 -0.00367831
-11.86518767 7.62576907 -2.54720405
-0.00047223 -0.00040771 -0.00014960
0.00220733 -0.00636691 0.00521503
-3.09939807 -16.16700833 20.39794409
-0.00039463 -0.00026645 0.00001269
-0.02518506 -0.03780267 0.00018791
-3.07781230 6.93459762 -8.02635299
-0.00035655 0.00002796 0.00026962
-0.00720039 0.00398872 -0.00864820
-20.68757418 29.49523752 1.43263113
-0.00017424 0.00015781 -0.00009915
0.03965161 -0.01286241 -0.01422172
9.75747114 3.33589835 7.52448203
0.00002557 -0.00014561 0.00008430
0.03563942 -0.01194149 0.02149169
6.35437064 14.32442953 -13.37421119
0.00000612 0.00020942 0.00056775
0.00087219 -0.01671751 -0.02552023
14.17035101 3.87367499 -2.90204060
-0.00006881 -0.00024838 -0.00010327
0.01588186 -0.01658377 0.04161953
-6.36776311 11.10164191 -0.53377248
0.00014931 -0.00002381 0.00006596
-0.00761630 0.02980035 -0.00950568
6.00818779 13.05880991 3.19388036
0.00036739 0.00014003 -0.00007512
0.02156557 -0.00948036 -0.00041640
21.84957117 -12.35662338 -11.46670006
0.00021990 0.00025193 -0.00028200
0.01909323 0.02616800 -0.00907374
16.66428590 -6.32857150 3.35952153
0.00006514 0.00007576 0.00001960
0.02750926 -0.01108743 -0.03921207
15.22896705 7.27123610 9.99929367
0.00018324 -0.00012297 -0.00022995
-0.00064334 0.00360410 0.01140119
3.14288389 -13.85029619 16.56138693
-0.00022767 0.00001418 -0.00004185
0.00340308 -0.01745160 -0.00038720
-3.56337102 -0.69858236 -10.72155480
-0.00008818 -0.00045478 0.00004173
0.01285915 -0.01493875 -0.01484450
15.26768334 -7.97480186 -9.48025500
0.00023827 0.00004821 -0.00033112
-0.01871080 0.00249448 0.00231826
8.72582233 -3.22547386 6.31941712
0.00029077 -0.00035261 -0.00000345
-0.02316825 -0.01343628 0.03590017
-21.32361414 1.61566110 24.58172414
-0.00025399 0.00000559 -0.00013605
-0.02064104 -0.01259768 -0.01265764
24.93145726 -1.69755601 -6.44180963
-0.00005010 -0.00007031 -0.00011226
-0.00858626 0.01225637 0.00172758
11.58225630 -11.80667006 -9.98152897
0.00016647 -0.00008566 -0.00002732
-0.01043806 -0.01676193 -0.03270013
-4.86458369 -10.23311341 16.67148851
-0.00014257 0.00004413 -0.00025504
0.01754861 -0.01708007 0.04206112
7.99604163 2.10037809 -30.34392011
0.00035860 0.00051549 -0.00034716
-0.02115683 -0.00102120 -0.01291977
10.81597479 17.36654990 14.85238346
0.00001489 -0.00037539 -0.00015277
0.02263447 -0.00033288 -0.01717416
30.68448048 7.28845830 -7.70439423
-0.00023636 0.00002353 0.00006213
0.00492351 0.00072612 0.00964514
5.76356749 -30.04777712 -5.39162748
-0.00045297 -0.00009278 0.00055446
0.00244724 -0.01526060 0.01761733
4.10151665 -30.56204230 -3.09969996
0.00002113 -0.00089250 -0.00071144
-0.00323224 0.00447597 0.00480497
-12.30626876 -2.41441336 -12.99605984
0.00002574 0.00028192 -0.00043648
-0.00012339 0.01847037 -0.00414865
-11.87742453 0.61860535 -12.82554447
0.00072977 0.00079092 0.00015503
-0.00105084 -0.02688996 0.01100370
-38.08536637 3.46930196 2.10343006
0.00116540 0.00057372 -0.00008522
-0.00341325 0.03127128 -0.02583444
-39.59856242 1.34579464 3.26389027
-0.00026636 0.00013348 0.00054519
-0.00202098 0.00164015 0.00237927
-10.12776232 -2.97530743 0.89412376
0.00073306 -0.00027954 -0.00083068
0.00936752 -0.00495916 0.01892095
-7.88676830 -3.94087841 2.71193298
0.00088972 -0.00009294 0.00140111
-0.01800796 0.01052665 0.00035323
0.05983741 -0.15690591 7.13598494
0.00036778 -0.00011183 0.00016647
0.01168248 -0.00143877 0.04287938
2.02420090 0.95989161 8.99020202
-0.00023022 0.00017400 -0.00089003
0.00798898 0.00796714 0.00348533
-31.74059123 0.97191850 2.16648817
-0.00076619 -0.00047365 0.00123199
-0.00919800 0.01852917 -0.00297508
-34.22423858 2.59596081 2.31712525
0.00060919 0.00084945 -0.00000330
0.02422392 -0.00038334 -0.00788452
12.53831679 12.82391773 -15.18398950
0.00074892 0.00035952 0.00073690
-0.02891134 -0.02119178 -0.03385388
15.53683316 13.33321322 -15.10260802
0.00097171 -0.00011771 -0.00043956
-0.02550362 -0.01042548 0.00460650
-3.83644177 8.92690631 4.52175854
-0.00006391 0.00026323 0.00002702
-0.00515263 -0.01609708 0.01302702
-2.83863202 6.96772464 2.60458461
-0.00057064 0.00006322 -0.00154900
-0.02274739 -0.00824940 0.03376564
5.68494351 16.48660485 -10.38535737
0.00021178 -0.00035048 0.00102737
0.00384663 -0.00796978 -0.01748502
7.48006428 16.96109914 -8.15259447
-0.00012932 -0.00011030 0.00044044
0.00714282 -0.00025184 -0.00022986
7.96481350 7.22318263 -22.58968320
0.00074983 -0.00000367 -0.00029463
-0.00046271 -0.00067678 0.00322834
8.17727110 7.35492479 -19.72921463
0.00013119 0.00025179 0.00008164
-0.00151353 0.00382473 -0.00174178
21.95458032 17.77924708 -1.94447561
-0.00036024 0.00066461 -0.00083679
0.01117795 -0.01034424 -0.00391166
24.38832919 18.40696052 -3.41211922
0.00065597 -0.00039759 0.00005770
0.00663415 0.00991814 -0.01173115
0.92104315 11.09041989 -21.88408697
0.00093083 -0.00006941 0.00083766
0.00771776 0.02801455 0.01457733
1.07354098 14.14651565 -22.35555393
-0.00074950 0.00044865 0.00061717
0.00002894 -0.00849002 -0.00034203
9.95877497 -5.51908543 -1.52368716
-0.00060578 -0.00100237 0.00017881
0.00848102 0.02828779 -0.00651721
8.62760429 -2.79124946 -1.40374155
0.00019610 0.00097335 -0.00119226
0.03192559 -0.01476455 -0.01730761
-19.06277390 -4.12391479 4.99311211
0.00036265 -0.00047094 -0.00011982
0.00216663 0.01518980 0.00652198
-17.47785043 -3.16179642 2.89994440
0.00048933 -0.00019490 0.00046708
-0.00105559 0.01260040 0.01705987
-15.15659912 -0.07186513 16.84022813
-0.00071174 0.00038887 -0.00023669
-0.00005356 0.00167014 0.01271438
-14.05525228 1.52901772 18.96045100
0.00054236 -0.00069639 -0.00003321
-0.01140094 -0.01766013 -0.00130299
3.09789558 3.61020071 -4.57874247
0.00045629 -0.00078274 0.00004345
-0.00242295 -0.00349861 0.01169548
4.08427044 1.32720004 -2.96227446
-0.00142313 -0.00059006 -0.00092669
-0.01001857 0.01749979 -0.00565295
22.93632862 -9.38598003 -10.20266394
-0.00011495 0.00020720 0.00019924
-0.00205222 0.00811438 -0.00219258
24.94908580 -7.93691606 -8.79168000
-0.00059881 -0.00007918 0.00007568
0.02979101 0.00427138 0.01812130
1.95407891 -8.13458578 4.94681123
0.00089412 -0.00077576 0.00038064
0.00128606 -0.01182573 -0.02270538
2.78636203 -7.29685548 7.45367647
-0.00048980 -0.00081592 0.00069509
0.00639204 -0.00306944 0.01636009
-4.26345551 -2.99707782 -17.59173278
0.00052568 0.00095817 0.00014066
-0.00549000 -0.01511769 0.00902000
-4.78549977 -0.19390337 -17.20085640
0.00009948 -0.00005221 0.00106489
-0.01020032 -0.00678757 0.00110063
2.26268957 4.92022968 -12.04168932
0.00010289 -0.00097203 0.00035879
0.01461311 0.00575536 -0.00669472
2.07370125 3.47216877 -9.76886868
0.00028575 0.00003047 0.00081198
0.00786573 0.00038358 0.00948043
-1.30931320 15.70051800 13.53334742
0.00092160 0.00110654 0.00024956
0.00468355 0.00687822 -0.00910596
-2.59487331 17.07344110 15.56352806
0.00099877 -0.00030310 -0.00013782
-0.00571337 0.00841207 0.04482191
-1.81541651 0.84922118 -5.71813053
0.00069607 -0.00019071 0.00042502
0.00006578 0.00621639 0.00487850
-3.05354509 0.91778497 -8.29377775
0.00017447 -0.00090622 -0.00113312
0.00068630 0.01009912 -0.00159274
-7.90112370 -2.90413384 -5.16166297
-0.00006591 0.00063492 0.00014439
-0.04375802 -0.02701031 -0.02100192
-7.23663962 -0.30927284 -4.15971429
-0.00063121 -0.00070629 -0.00004750
-0.00110608 0.00212396 0.00137918
1.37969526 28.65452378 5.89945777
0.00022833 -0.00020985 -0.00028717
0.03673408 0.00887196 -0.03185401
-1.21918213 28.30452278 6.33762656
-0.00112092 0.00080340 0.00040495
-0.04541241 -0.00092066 -0.01220495
8.24189943 -9.19985983 -2.02127803
-0.00024870 -0.00000007 -0.00020013
0.00970077 0.00523756 -0.00582322
9.91240658 -9.84492289 0.25048572
-0.00013933 -0.00053434 -0.00093951
0.00929779 0.00902995 -0.00874889
-5.45068634 -0.25220200 8.84222741
0.00016287 0.00081398 -0.00013343
-0.03253864 0.01191431 -0.01027975
-8.33277073 -0.56778778 7.99492049
-0.00055054 0.00080958 -0.00010042
-0.00522814 -0.00578181 0.00666176
19.85641775 11.42279478 7.48011775
0.00115628 -0.00018233 0.00014790
0.00529488 -0.00488509 0.01874432
19.49752669 12.78262483 5.11710985
0.00036770 0.00011635 0.00103205
0.00936773 0.01899493 -0.01448348
-3.50027330 -3.14504387 -21.75217635
0.00062960 0.00133151 -0.00075489
-0.01238990 0.03703573 0.04100126
-4.49880581 -3.40354942 -24.54416539
-0.00028080 0.00060211 0.00121083
-0.00293920 0.00439642 0.01028688
-12.57900890 9.10648790 9.36861649
0.00047260 0.00059794 -0.00052450
0.00032540 -0.00128879 0.00970253
-13.11340271 9.02506200 6.58404565
0.00004116 -0.00046369 0.00026858
-0.00079004 -0.00224684 -0.00005520
-12.64376998 7.37318423 -4.17331287
0.00023108 0.00010561 -0.00032481
-0.00117404 0.00362611 -0.01339066
-11.43890615 9.39765293 -2.38831709
0.00032817 0.00049955 -0.00023995
-0.00099334 0.00575096 -0.00288287
-4.76564797 -17.17712703 20.26538552
0.00021396 -0.00021809 0.00023380
0.03475305 0.02447226 -0.00444605
-1.82367557 -17.44827918 19.97557832
-0.00036552 0.00084992 -0.00021904
-0.01119863 0.01331296 0.00016355
-3.31323054 5.52118119 -6.90145301
-0.00110901 0.00039934 0.00040991
0.00490428 -0.00734957 -0.00195175
-3.51377098 8.40268256 -7.05582803
0.00032402 -0.00118617 -0.00049156
-0.00374424 0.01116320 0.00970157
-20.92237114 28.49005399 -0.09637256
-0.00029577 -0.00058086 0.00001798
-0.00801068 0.00524301 0.00779997
-18.80381781 29.14834614 1.57773428
0.00074654 -0.00025908 0.00038243
-0.02671271 0.01605635 0.00368934
8.87484916 2.73076528 6.13974044
0.00043722 -0.00084887 -0.00083834
-0.02794265 -0.02393995 -0.03641022
8.94664212 4.90598594 7.79944104
0.00065929 -0.00063355 -0.00017035
-0.00870152 0.03441669 0.01686694
7.00130594 14.50756643 -15.16394587
0.00018561 0.00070397 0.00011937
-0.01241803 -0.00809884 0.03319535
5.83581803 12.52686684 -13.16459986
0.00110912 0.00147993 -0.00024668
0.01220435 0.02642761 -0.00935388
13.29094859 5.24110392 -3.60832947
-0.00004324 -0.00001676 0.00094725
-0.01423579 0.02431260 -0.01768239
13.66865285 4.11497472 -1.09878826
-0.00042057 0.00038619 0.00095367
-0.00036170 -0.01458341 -0.01974434
-5.67053768 9.68268533 0.25308620
0.00074129 -0.00063257 0.00021695
0.01324963 -0.02826254 0.01066168
-7.79270454 11.54930716 0.51470501
-0.00084540 -0.00156911 -0.00070637
-0.00663961 -0.00452727 -0.00169046
4.49598594 12.77271772 2.17331086
0.00003475 -0.00019118 -0.00019363
0.00407519 -0.00695336 -0.00038721
7.30573367 11.73099744 2.85647762
-0.00075835 0.00137145 -0.00075699
-0.02399771 0.01845746 0.00560263
20.36920243 -12.97786960 -10.70332510
-0.00022206 0.00027820 0.00058643
-0.01968278 -0.01550644 0.01642723
22.29035883 -13.58222946 -12.73743150
-0.00063410 -0.00061602 -0.00078814
0.00304893 -0.00908321 -0.00747539
17.75123276 -6.49647166 1.80354936
0.00059675 0.00062766 0.00134247
-0.01366603 0.01477927 0.01970424
15.89125214 -7.95864975 3.18490344
0.00056492 -0.00103147 -0.00003099
-0.01377454 -0.00522379 0.01116572
13.99543102 8.50873498 10.67778414
-0.00038617 0.00000979 0.00062961
0.00897792 -0.01077576 -0.00441111
16.33791539 6.90547465 11.45274833
0.00052938 -0.00058071 -0.00077841
-0.00722774 0.00116564 -0.01172605
2.95000054 -13.62313378 14.74117016
-0.00049646 0.00124776 -0.00016956
0.00010212 0.01255733 0.01671806
3.94046992 -12.49660470 17.51297352
-0.00082922 0.00023135 -0.00082791
-0.00341359 0.00508172 -0.02030125
-3.27633984 -2.45265032 -10.14667994
-0.00013283 0.00001219 -0.00062143
-0.00611722 0.00258568 0.00363553
-1.89175879 -0.34535713 -11.55726296
0.00076315 -0.00018594 -0.00028799
-0.01289456 0.00211233 0.00463393
14.87952146 -7.71003858 -11.25367398
0.00003486 0.00029310 0.00109164
-0.00598781 -0.00591061 -0.00701397
16.67803755 -6.89562855 -9.09171920
0.00047640 0.00005303 0.00114385
0.01496579 0.00727220 0.00514379
6.88895944 -2.78394817 6.26756842
-0.00012208 -0.00007557 0.00008945
0.02948235 -0.00179763 -0.01975337
9.75185442 -2.79564806 4.91499359
0.00110906 -0.00077193 -0.00013806
0.00464128 0.00460432 -0.01981576
-21.87656378 1.73352657 22.79730838
0.00035122 -0.00101831 0.00006468
0.01117616 -0.00153684 0.02188875
-22.59108475 0.48462654 25.36226771
-0.00019280 0.00035258 -0.00009385
0.00942748 0.00981555 -0.01320570
25.43544718 -3.01355453 -7.56934996
0.00013310 0.00027751 -0.00025224
0.01126785 -0.01453822 -0.00893299
23.68064540 -0.75890516 -7.38171094
-0.00006878 0.00073185 0.00069825
-0.00075636 0.00044084 0.00486355
10.88189401 -12.64550432 -8.56023962
0.00140868 -0.00039676 0.00014988
-0.00864413 -0.00860184 0.01401108
12.60383626 -10.43210007 -9.55868753
-0.00032623 0.00022725 0.00053372
0.02017255 0.02644487 0.01185912
-5.57218792 -10.45561772 18.39813710
0.00063228 -0.00011767 0.00074352
0.01168258 -0.00007404 -0.01461721
-6.24390426 -9.69761670 15.71248127
0.00087805 -0.00042169 -0.00046145
-0.02279309 0.00954835 -0.02468311
8.64727926 0.86381956 -31.55926807
0.00005800 0.00029967 -0.00075978
0.00565900 0.00118901 -0.00090209
6.30376906 2.48457310 -31.02723006
0.00044170 -0.00013331 -0.00044976
0.01362401 -0.00412815 0.00240224
11.20185515 18.66903122 13.57927119
0.00076030 -0.00151851 0.00008398
-0.00458408 -0.00749899 0.00670420
12.17502470 16.10339851 14.55654205
-0.00018860 -0.00050692 0.00012581
-0.01550352 0.01062968 -0.00100841
30.41446921 5.56038201 -8.26830800
0.00039802 -0.00026633 0.00026725
0.00562905 -0.00282738 0.00144295
29.06416169 7.92106448 -7.20269901
0.00136752 -0.00050105 -0.00041308
-0.01066831 -0.00057193 0.00065618
-8.38450920 4.96431043 5.67180513
-0.00011042 -0.00019840 -0.00011166
0.00589429 0.00314699 0.00939807
-10.77394171 10.12683531 3.49518115
0.00004042 0.00004758 -0.00014293
0.00149732 -0.00085069 0.00050046
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.07917478
0.32312444
430.54712182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.768 s
total exchange = -52.3798106414 (a.u.)
total exchange computation time: 2.8334100246 s
-154.2769144844
-931.40343913
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.770 s
total exchange = -52.3793375322 (a.u.)
total exchange computation time: 2.8345708847 s
-154.2811746866
Anderson extrapolation: theta=1.4648553519 (1.4648553519)
-931.40368746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.771 s
total exchange = -52.3785329109 (a.u.)
total exchange computation time: 2.8351809978 s
-154.2879688468
Anderson extrapolation: theta=0.1014245598 (0.1014245598)
-931.40386942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.770 s
total exchange = -52.3783668762 (a.u.)
total exchange computation time: 2.8329949379 s
-154.2891061132
Anderson extrapolation: theta=2.8514884884 (2.0000000000)
-931.40388915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.772 s
total exchange = -52.3780105482 (a.u.)
total exchange computation time: 2.8337929249 s
-154.2914002732
Anderson extrapolation: theta=0.7264123310 (0.7264123310)
-931.40392129
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.771 s
total exchange = -52.3777718003 (a.u.)
total exchange computation time: 2.8343720436 s
-154.2927855874
Anderson extrapolation: theta=0.5376871997 (0.5376871997)
-931.40393593
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.774 s
total exchange = -52.3776803575 (a.u.)
total exchange computation time: 2.8346340656 s
-154.2931595335
Anderson extrapolation: theta=0.8715556785 (0.8715556785)
-931.40394165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.768 s
total exchange = -52.3776395556 (a.u.)
total exchange computation time: 2.8325910568 s
-154.2931387522
Anderson extrapolation: theta=0.4462843225 (0.4462843225)
-931.40394472
-256.253818 122.272234 8.816253
565.779360 1066.901009 -419.423550
309.525542 1189.173243 -410.607297
1295.583812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574854651
ExchangeOperator: pair fraction: ispin=0: 0.1395997837
ExchangeOperator: bisection time: 2.771 s
total exchange = -52.3776511695 (a.u.)
total exchange computation time: 2.7625629902 s
678.83656625
-1083.99361087
89.88490278
-388.92342001
-174.83073263
78.41632940
551.60419304
0.00000000
-931.40394565
5.64909780 -31.15561163 -3.85765208
-0.00002536 -0.00012618 0.00025436
-0.00494515 0.01086421 -0.02826899
-11.70952532 -1.03570190 -11.86645250
-0.00030361 -0.00002863 -0.00000612
0.00279052 0.01929507 0.00057731
-38.06285378 2.32807315 3.44718133
0.00008074 0.00000584 -0.00016564
0.00686652 -0.02678493 0.02125918
-9.36980824 -2.77676242 2.63432582
-0.00074403 -0.00000055 -0.00025236
0.00437723 -0.00380289 -0.02053432
0.59153598 -0.14469085 8.98490500
0.00017817 -0.00020356 0.00008514
-0.01196015 -0.00687540 -0.05053933
-32.38816108 2.74243407 1.92540842
-0.00013203 0.00016854 -0.00035270
-0.00652190 -0.02452072 0.01406237
13.86478204 13.49014618 -14.28265066
0.00006407 0.00019090 -0.00028579
0.06890313 0.03833483 0.03547270
-3.86378830 7.05801115 4.24798787
-0.00040639 0.00004617 -0.00019999
0.02655066 0.01631941 -0.05042105
5.71480256 16.69169491 -8.59329217
0.00016071 0.00001885 0.00010262
-0.00477304 0.00398237 0.02775697
6.93693211 7.01457170 -21.03992047
-0.00037335 0.00041132 0.00003860
0.00427418 -0.00459861 -0.00300629
23.64668309 17.08808186 -2.41711414
-0.00046853 0.00000025 0.00036270
-0.01479580 -0.00325741 0.01346320
1.33736172 12.79227924 -21.12619791
0.00004051 0.00012911 0.00015330
-0.00654579 -0.01661706 -0.01240986
10.28577118 -3.64558995 -1.81326081
0.00027488 0.00024621 0.00013246
-0.03701109 -0.02309946 0.02519678
-18.02201395 -2.62944827 4.61086052
0.00037427 0.00004452 0.00020972
-0.01745009 -0.03180124 -0.02331980
-15.20398783 0.08459629 18.69199006
-0.00021088 0.00015387 -0.00019425
0.01604737 0.01232612 -0.00280728
2.79832489 2.71518110 -2.99823630
0.00004490 0.00007570 0.00017049
-0.00318950 -0.00161829 0.00033509
23.37132875 -7.69396867 -9.54025131
0.00008110 -0.00023131 -0.00011937
-0.02783758 -0.02127917 -0.02408599
1.35369465 -8.03481955 6.63068699
0.00016408 0.00008161 0.00024360
-0.01292346 0.00938968 0.00117992
-3.87264418 -1.37982299 -18.26776615
0.00014171 0.00036590 0.00017346
0.02510424 0.02430896 -0.01405148
3.41788386 4.22509014 -10.77163256
-0.00036871 0.00021076 0.00010418
-0.02402385 -0.01016934 0.00471006
-2.67930512 16.94782294 13.82202655
0.00000547 -0.00020874 0.00009412
-0.00703712 -0.00395094 -0.03314720
-2.18066806 2.03970795 -7.05321752
-0.00020901 0.00025060 -0.00001993
0.00336408 -0.01911914 0.00811772
-6.64228859 -2.02290228 -4.35977661
-0.00004036 -0.00006896 -0.00010906
0.04656903 0.02614103 0.02215420
0.32591347 28.15932571 7.20860524
0.00016238 0.00006353 0.00028759
0.00502096 -0.00680104 0.03696917
10.02413602 -9.10410045 -1.45614986
0.00007129 -0.00002904 0.00007312
-0.01403297 -0.00942487 0.00700483
-6.81063183 0.31567454 7.57411078
-0.00007696 0.00006042 0.00009915
0.03413018 0.00499453 0.00995995
18.56414145 11.77948663 6.26394776
-0.00006888 -0.00009433 0.00011802
-0.00284335 -0.01172479 0.00291845
-3.26831317 -3.97611620 -23.26411218
0.00002218 -0.00008564 -0.00017199
0.01336006 -0.03185846 -0.04272274
-13.65282423 8.24077088 8.16672967
0.00000003 0.00004160 0.00032158
-0.00286449 0.00677300 -0.00311217
-11.87226266 7.61962889 -2.54942792
-0.00047045 -0.00040891 -0.00014635
0.00471968 0.00168899 0.00740516
-3.10541470 -16.17115095 20.39813520
-0.00040780 -0.00028458 0.00001319
-0.02601024 -0.03268592 0.00173647
-3.08318839 6.93503243 -8.02234203
-0.00035950 0.00002752 0.00026352
-0.00423845 -0.00569001 -0.01508487
-20.69003476 29.49755513 1.43108898
-0.00015276 0.00015071 -0.00010668
0.04387398 -0.01475693 -0.01505601
9.75799220 3.33366814 7.52582946
0.00004367 -0.00015390 0.00009347
0.03473862 -0.02028797 0.01417885
6.35446581 14.32750633 -13.36579337
0.00000760 0.00020347 0.00055345
0.00487592 -0.00640261 -0.03007647
14.16938007 3.86988536 -2.90342913
-0.00006100 -0.00025684 -0.00008000
0.01448546 -0.01632903 0.04887394
-6.36555290 11.10139973 -0.53281970
0.00014630 -0.00001018 0.00006189
-0.00408561 0.02320190 -0.00633228
6.01378179 13.06087384 3.19275200
0.00037607 0.00013669 -0.00007544
0.01219463 -0.00352837 -0.00085754
21.85294327 -12.35274345 -11.47096507
0.00022847 0.00026384 -0.00028685
0.01425424 0.02013006 -0.00978624
16.66536904 -6.32747779 3.35966427
0.00007792 0.00006884 0.00000051
0.02222446 -0.01582999 -0.03500352
15.23171309 7.26940544 9.99588847
0.00018201 -0.00012041 -0.00022395
-0.00413361 0.00633470 0.01192048
3.13948198 -13.85015083 16.56075763
-0.00022634 0.00000490 -0.00004324
0.00174966 -0.01864428 -0.00501860
-3.56464416 -0.70546172 -10.72098608
-0.00008055 -0.00046110 0.00003325
0.01684315 -0.00961605 -0.01813317
15.27118518 -7.97406902 -9.48521289
0.00022980 0.00004959 -0.00032716
-0.01423129 0.00284007 0.01310332
8.73009456 -3.23081478 6.31950385
0.00027897 -0.00035916 0.00001433
-0.02272741 -0.01203225 0.03323217
-21.32750363 1.61569636 24.57963460
-0.00026410 -0.00000075 -0.00014200
-0.01865782 -0.01207029 -0.01048529
24.93067262 -1.69856334 -6.44348683
-0.00005451 -0.00006383 -0.00011106
-0.00854058 0.01293615 0.00292120
11.58471308 -11.80801960 -9.98206491
0.00016152 -0.00009379 -0.00004415
-0.00878962 -0.01484392 -0.03275337
-4.86665450 -10.23251735 16.66782522
-0.00013205 0.00003462 -0.00023149
0.02333621 -0.01988771 0.04948717
8.00133906 2.10810648 -30.34917730
0.00034808 0.00051444 -0.00035416
-0.01976004 -0.00306257 -0.01430749
10.81628546 17.36091782 14.85002562
0.00002628 -0.00037648 -0.00016071
0.02165579 -0.00391942 -0.01370108
30.68095406 7.28881405 -7.70342511
-0.00023041 0.00002239 0.00006601
0.01823296 -0.00516230 0.00546213
5.75684789 -30.04963643 -5.38277072
-0.00044116 -0.00015344 0.00062289
0.00333357 -0.01443481 0.01587841
4.10173449 -30.57529258 -3.11022437
-0.00000146 -0.00087168 -0.00068564
-0.00782509 0.00571231 0.00782833
-12.30588637 -2.40961857 -13.00273411
0.00002432 0.00035628 -0.00045463
-0.00057239 0.01792701 -0.00473850
-11.86651015 0.62964519 -12.82288176
0.00072463 0.00067614 0.00020175
-0.00146463 -0.02929462 0.01186615
-38.06799002 3.47886602 2.10136011
0.00114965 0.00069595 -0.00018579
-0.00429663 0.02856091 -0.02339709
-39.60261973 1.34784706 3.27214110
-0.00027230 0.00014307 0.00055289
-0.00088518 0.00305616 0.00138593
-10.11647940 -2.97965244 0.88224342
0.00076949 -0.00029982 -0.00075446
0.00846717 -0.00496856 0.01838801
-7.87397431 -3.94194992 2.73296044
0.00080393 -0.00004036 0.00140027
-0.02398729 0.01520963 -0.00076194
0.06571211 -0.15862740 7.13979600
0.00041326 -0.00011898 0.00033910
0.01058124 -0.00206509 0.04162360
2.02099236 0.96274571 8.97695835
-0.00019609 0.00020757 -0.00087364
0.00872162 0.00846648 0.00453873
-31.75236589 0.96538156 2.18487684
-0.00080294 -0.00039937 0.00121838
-0.00879421 0.01783284 -0.00368683
-34.21435842 2.60869077 2.31683416
0.00069870 0.00084745 -0.00003421
0.01958925 -0.00059217 -0.00724495
12.54866468 12.82866110 -15.17397333
0.00061362 0.00026373 0.00058649
-0.03731946 -0.02569579 -0.03977665
15.55062731 13.33112803 -15.10906027
0.00085706 -0.00015956 -0.00041543
-0.03062076 -0.01005680 0.00720732
-3.83755830 8.93036150 4.52256304
-0.00008493 0.00019514 0.00007933
-0.00513615 -0.01723157 0.01257917
-2.84788864 6.96842014 2.58238435
-0.00066786 0.00003024 -0.00140190
-0.02484104 -0.00789299 0.03823691
5.68823816 16.48110344 -10.37048258
0.00022746 -0.00038464 0.00094141
0.00382525 -0.00875055 -0.02459659
7.47834331 16.95943691 -8.14599485
-0.00009750 -0.00011081 0.00043979
0.00843629 0.00000471 -0.00009222
7.97604677 7.22310681 -22.59400379
0.00074183 -0.00000743 -0.00027465
-0.00345404 -0.00116546 0.00655504
8.17919254 7.35881884 -19.72804335
0.00012139 0.00026692 0.00007201
-0.00328258 0.00357978 -0.00297565
21.94951929 17.78889920 -1.95714729
-0.00031616 0.00062262 -0.00085174
0.01040007 -0.01020615 -0.00340765
24.39837204 18.40130060 -3.41161312
0.00068037 -0.00036162 0.00001343
0.00530880 0.00769148 -0.00994064
0.93524209 11.09023717 -21.87107531
0.00096036 0.00004191 0.00089426
0.00673804 0.02647740 0.01312624
1.06229943 14.15298531 -22.34630683
-0.00074898 0.00041263 0.00061515
0.00022439 -0.00914635 -0.00064928
9.94994820 -5.53325414 -1.52120471
-0.00056855 -0.00087305 0.00015055
0.00974160 0.03501497 -0.00731893
8.63152412 -2.77710158 -1.42215583
0.00032668 0.00091197 -0.00126189
0.03199260 -0.01528498 -0.01677417
-19.05726780 -4.13051345 4.99151464
0.00037361 -0.00040516 -0.00009314
0.00320083 0.01700878 0.00653905
-17.47054290 -3.16433381 2.90747337
0.00048638 -0.00014321 0.00053422
-0.00038654 0.01270274 0.01580681
-15.16727687 -0.06598083 16.83706734
-0.00071120 0.00039555 -0.00018464
0.00031662 0.00159793 0.01276550
-14.04746621 1.51803072 18.95991297
0.00049691 -0.00076592 -0.00003828
-0.01084657 -0.01637578 -0.00117907
3.10466575 3.59835245 -4.57773234
0.00044578 -0.00079360 0.00008788
-0.00272185 -0.00181826 0.01005216
4.06261646 1.31888540 -2.97634802
-0.00145945 -0.00052291 -0.00094685
-0.00776129 0.01537240 -0.00421379
22.93454143 -9.38262343 -10.19974246
-0.00012459 0.00023487 0.00018802
-0.00266659 0.00543430 -0.00329990
24.94101655 -7.93797284 -8.78998951
-0.00046861 -0.00006320 0.00015358
0.03394333 0.00355033 0.02000985
1.96753006 -8.14658450 4.95182511
0.00089854 -0.00082371 0.00029183
0.00087875 -0.01164552 -0.02076758
2.77921086 -7.30918828 7.46460417
-0.00045534 -0.00082389 0.00076658
0.01047854 -0.00083312 0.01863323
-4.25573852 -2.98316855 -17.58934643
0.00050182 0.00088580 0.00018094
-0.00619115 -0.02030877 0.01069349
-4.78432010 -0.19489452 -17.18484930
0.00005941 -0.00008084 0.00106637
-0.00941334 -0.00722538 -0.00037755
2.26468070 4.90582561 -12.03651265
0.00015432 -0.00094332 0.00032320
0.01056132 0.00829763 -0.01072686
2.07822847 3.47263759 -9.75639850
0.00031755 0.00003280 0.00084998
0.00770368 0.00075651 0.00912007
-1.29534573 15.71732692 13.53681174
0.00094189 0.00113125 0.00020977
0.00525183 0.00521486 -0.01037256
-2.58006678 17.06915244 15.56283428
0.00097474 -0.00026758 0.00004830
-0.00604922 0.00897488 0.04628525
-1.80497351 0.84655101 -5.71160567
0.00069282 -0.00015770 0.00043522
-0.00165517 0.00994147 0.00011376
-3.05090694 0.90450112 -8.31082340
0.00018278 -0.00085805 -0.00113012
0.00338005 0.01348238 0.00306459
-7.90345325 -2.89543770 -5.16014062
-0.00024982 0.00051883 0.00005501
-0.04626584 -0.02981955 -0.02275225
-7.24614171 -0.31980207 -4.16038448
-0.00063624 -0.00069073 -0.00004035
-0.00135683 0.00549107 0.00211768
1.38424585 28.65164793 5.89417418
0.00037095 -0.00017650 -0.00041101
0.03307992 0.00744990 -0.02876854
-1.23738749 28.31654560 6.34332684
-0.00128697 0.00079850 0.00036350
-0.03586945 -0.00147859 -0.00808417
8.23846612 -9.19970042 -2.02445838
-0.00020489 0.00002157 -0.00022294
0.01174741 0.00535492 -0.00534453
9.91060160 -9.85266134 0.23612491
-0.00010137 -0.00050099 -0.00096525
0.00928074 0.00729782 -0.00385079
-5.44924045 -0.23962717 8.83991102
0.00002956 0.00086037 -0.00017322
-0.03271715 0.01079207 -0.00919747
-8.34118903 -0.55582121 7.99361825
-0.00057080 0.00078515 -0.00007196
-0.00468967 -0.00617620 0.00727002
19.87392422 11.41991019 7.48291064
0.00116657 -0.00020046 0.00021642
-0.00026029 -0.00398956 0.01479746
19.50332929 12.78495216 5.13214675
0.00040698 0.00019667 0.00096907
0.00985729 0.02032145 -0.01634512
-3.49120901 -3.12393633 -21.76224334
0.00058172 0.00148030 -0.00058985
-0.01104691 0.03579714 0.03979079
-4.50310780 -3.39438301 -24.52568770
-0.00029635 0.00062013 0.00124536
-0.00467459 0.00442428 0.00661543
-12.57190990 9.11541749 9.36104633
0.00047334 0.00059202 -0.00048367
0.00003752 -0.00160681 0.01028124
-13.11280959 9.01803781 6.58807265
0.00003775 -0.00047219 0.00026549
-0.00087805 -0.00191384 -0.00145774
-12.64033975 7.37487944 -4.17859540
0.00022446 0.00011931 -0.00038248
-0.00206530 0.00308233 -0.01483969
-11.43401401 9.40532240 -2.39200468
0.00032030 0.00050768 -0.00025259
-0.00286114 -0.00177316 -0.00330537
-4.76137366 -17.17964840 20.26875633
0.00035060 -0.00012135 0.00021505
0.03213399 0.02287900 -0.00473588
-1.82950155 -17.43512244 19.97229779
-0.00040437 0.00089691 -0.00022067
-0.00781809 0.00969105 -0.00096406
-3.32971541 5.52694602 -6.89536420
-0.00108863 0.00036708 0.00040181
0.00507386 -0.00843953 -0.00201191
-3.50902543 8.38523203 -7.06290416
0.00030278 -0.00111870 -0.00043902
-0.00665377 0.02186614 0.01601994
-20.92705317 28.48150181 -0.09586382
-0.00032667 -0.00055679 0.00005370
-0.00711611 0.00653578 0.00968554
-18.79343824 29.14495199 1.58358385
0.00062772 -0.00019189 0.00039515
-0.03145243 0.01683224 0.00253516
8.88055128 2.71729858 6.12604964
0.00033106 -0.00093948 -0.00097299
-0.02402573 -0.02041245 -0.02950413
8.95626481 4.89753733 7.79740272
0.00061741 -0.00048326 -0.00010055
-0.01180049 0.03914932 0.01729661
7.00370950 14.51787779 -15.16113814
0.00013357 0.00067115 0.00026019
-0.01305553 -0.00796471 0.03573786
5.85282882 12.54987558 -13.16858671
0.00115229 0.00156614 -0.00028116
0.00892796 0.01577610 -0.00752441
13.28986370 5.24159752 -3.59466261
-0.00010306 0.00008536 0.00087220
-0.01504598 0.02567488 -0.01905238
13.66233317 4.12032076 -1.08508821
-0.00041765 0.00032316 0.00086075
0.00179353 -0.01627469 -0.02574362
-5.65901238 9.67233071 0.25666718
0.00078889 -0.00073467 0.00025314
0.01005060 -0.02171637 0.00705250
-7.80558902 11.52563176 0.50405762
-0.00087294 -0.00158717 -0.00071228
-0.00684121 -0.00431382 -0.00120095
4.49663202 12.76963693 2.17039456
0.00005508 -0.00021714 -0.00019189
0.00587853 -0.00575278 0.00123635
7.29362313 11.75213482 2.84529438
-0.00084159 0.00143257 -0.00073650
-0.01674898 0.01145803 0.00443001
20.36526838 -12.97417180 -10.69402530
-0.00029052 0.00022003 0.00064723
-0.01382642 -0.01296606 0.01333840
22.28094074 -13.59174816 -12.74948260
-0.00062352 -0.00064632 -0.00081092
0.00213196 -0.00574725 -0.00367852
17.75976532 -6.48660394 1.82429023
0.00054570 0.00068669 0.00141417
-0.01132351 0.01411758 0.01539255
15.89930389 -7.97428186 3.18478079
0.00051427 -0.00104108 0.00001459
-0.01101851 0.00051898 0.01114415
13.98991364 8.50855168 10.68709314
-0.00034313 -0.00003984 0.00060847
0.01208659 -0.01352144 -0.00593565
16.34563459 6.89679965 11.44071291
0.00050031 -0.00057564 -0.00082427
-0.00700353 0.00132079 -0.01072276
2.94255678 -13.60403257 14.73913907
-0.00049611 0.00129632 -0.00009746
0.00007067 0.01121145 0.01857242
3.92792703 -12.49297875 17.49993282
-0.00083979 0.00025664 -0.00090494
-0.00176009 0.00729861 -0.01740586
-3.27851979 -2.45238825 -10.15588991
-0.00015692 0.00001482 -0.00060358
-0.00567421 -0.00129562 0.00509938
-1.88070665 -0.34808145 -11.56144084
0.00070256 -0.00017901 -0.00026529
-0.01676459 0.00127609 0.00647731
14.87986089 -7.70582315 -11.23751429
0.00000828 0.00027292 0.00104455
-0.00702366 -0.00396790 -0.01603671
16.68564215 -6.89461022 -9.07440381
0.00053112 0.00007813 0.00116112
0.01181967 0.00501509 0.00330743
6.88803174 -2.78513676 6.26830479
0.00000305 -0.00008385 0.00000808
0.03176513 -0.00225540 -0.02007328
9.76863259 -2.80708590 4.91231548
0.00112259 -0.00075495 -0.00021295
0.00197803 0.00370560 -0.01684467
-21.87095304 1.71820486 22.79894925
0.00039506 -0.00102340 0.00014778
0.01028295 -0.00095436 0.01879212
-22.59368784 0.49021598 25.36045535
-0.00015658 0.00039053 -0.00014581
0.00830099 0.00876276 -0.01223282
25.43778904 -3.00983744 -7.57340727
0.00017866 0.00021797 -0.00029028
0.01103323 -0.01460317 -0.00968679
23.67959052 -0.74791397 -7.37108817
-0.00007140 0.00073252 0.00071726
-0.00052616 -0.00010843 0.00444371
10.90275937 -12.65171929 -8.55756211
0.00137156 -0.00043382 0.00020867
-0.00952755 -0.00954144 0.01476679
12.59956101 -10.42788098 -9.55031839
-0.00024506 0.00033321 0.00058039
0.01955831 0.02542547 0.01098923
-5.56234566 -10.45738500 18.40884199
0.00068015 -0.00011617 0.00067506
0.01174760 0.00080647 -0.01889502
-6.23143197 -9.70364942 15.70480316
0.00077254 -0.00037867 -0.00056818
-0.02885305 0.01150654 -0.02756406
8.64832270 0.86835100 -31.57069234
0.00008104 0.00030659 -0.00076022
0.00561921 0.00219916 0.00068214
6.31081203 2.48244701 -31.03390286
0.00049432 -0.00014831 -0.00044028
0.01213474 -0.00321750 0.00223749
11.21311925 18.64602383 13.58073627
0.00074252 -0.00153986 0.00010370
-0.00412165 -0.00295568 0.00294968
12.17172058 16.09612042 14.55839834
-0.00025085 -0.00046546 0.00012258
-0.01496819 0.00966520 -0.00057241
30.42061203 5.55630047 -8.26425508
0.00042089 -0.00027618 0.00027373
0.00556352 -0.00199389 0.00172891
29.08434761 7.91353118 -7.20887515
0.00129727 -0.00049300 -0.00040270
-0.02372228 0.00451142 0.00442568
-8.38614967 4.96134280 5.67015543
-0.00010829 -0.00019724 -0.00010831
0.00600082 0.00334045 0.00935026
-10.77333275 10.12754757 3.49303806
0.00004079 0.00004735 -0.00014282
0.00162502 -0.00117902 0.00041930
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08099394
0.32295171
430.31696311
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.862 s
total exchange = -52.3798607869 (a.u.)
total exchange computation time: 2.7316820621 s
-154.2980899842
-931.40231498
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.863 s
total exchange = -52.3794748730 (a.u.)
total exchange computation time: 2.7339689732 s
-154.3021605964
Anderson extrapolation: theta=1.4635703186 (1.4635703186)
-931.40256593
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.860 s
total exchange = -52.3788972185 (a.u.)
total exchange computation time: 2.7323520184 s
-154.3082431837
Anderson extrapolation: theta=0.1002991722 (0.1002991722)
-931.40274779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.864 s
total exchange = -52.3788380135 (a.u.)
total exchange computation time: 2.7332060337 s
-154.3089466086
Anderson extrapolation: theta=2.7601411458 (2.0000000000)
-931.40276655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.862 s
total exchange = -52.3787413631 (a.u.)
total exchange computation time: 2.7316131592 s
-154.3101947719
Anderson extrapolation: theta=0.6541436301 (0.6541436301)
-931.40279621
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.862 s
total exchange = -52.3787148865 (a.u.)
total exchange computation time: 2.7359800339 s
-154.3106996902
Anderson extrapolation: theta=0.5490262568 (0.5490262568)
-931.40280839
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.858 s
total exchange = -52.3787397529 (a.u.)
total exchange computation time: 2.7318930626 s
-154.3106395320
Anderson extrapolation: theta=0.8143394443 (0.8143394443)
-931.40281337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.860 s
total exchange = -52.3787921130 (a.u.)
total exchange computation time: 2.7340710163 s
-154.3103125251
Anderson extrapolation: theta=0.4656208700 (0.4656208700)
-931.40281601
-256.198699 122.231194 8.779494
565.835785 1066.896564 -419.393433
309.637086 1189.127759 -410.613939
1295.570823
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 2.861 s
total exchange = -52.3788378861 (a.u.)
total exchange computation time: 2.7320630550 s
678.85708576
-1084.04336768
89.88560178
-388.88830183
-174.83499704
78.44777775
551.60419304
0.00000000
-931.40281690
5.64869830 -31.15746247 -3.85394566
-0.00002699 -0.00012117 0.00023969
-0.00136835 0.00864474 -0.02878437
-11.71406870 -1.03605691 -11.86654202
-0.00030199 -0.00001802 -0.00000583
0.00350317 0.02195458 0.00054340
-38.06161617 2.32805749 3.44477877
0.00008421 -0.00000731 -0.00015537
0.00661711 -0.02435857 0.01867127
-9.38095181 -2.77678533 2.63046124
-0.00074003 -0.00000322 -0.00026234
0.01117487 -0.00657068 -0.01826684
0.59416234 -0.14777074 8.98598722
0.00017224 -0.00020700 0.00005953
-0.01110145 -0.00651379 -0.04906055
-32.39016663 2.74486757 1.92017215
-0.00013396 0.00015544 -0.00034544
-0.00101018 -0.02643053 0.01417438
13.86600893 13.49315758 -14.28680064
0.00010213 0.00021143 -0.00026691
0.07908751 0.04149346 0.03794860
-3.86978180 7.05876659 4.24479353
-0.00039230 0.00005465 -0.00022660
0.02826511 0.01667659 -0.05303900
5.71719485 16.69199305 -8.59164573
0.00015793 0.00002108 0.00011852
-0.00604981 0.00467612 0.03403733
6.93134842 7.02072370 -21.03935311
-0.00036996 0.00040911 0.00003654
0.00889116 -0.00396558 -0.00500031
23.63959809 17.08807297 -2.41162176
-0.00047540 -0.00000086 0.00036891
-0.01190978 -0.00102113 0.01069539
1.33794409 12.79415181 -21.12394622
0.00003744 0.00012122 0.00014747
-0.00536600 -0.01408371 -0.01026052
10.28975156 -3.64198586 -1.81117665
0.00025581 0.00023292 0.00014537
-0.03714591 -0.02858856 0.02497780
-18.01646715 -2.62890310 4.61391634
0.00036489 0.00002783 0.00019818
-0.01902869 -0.03309646 -0.02154058
-15.20708911 0.08695189 18.68906546
-0.00020288 0.00015968 -0.00019577
0.01504525 0.01027653 -0.00308891
2.79898603 2.71631030 -2.99567763
0.00004270 0.00007507 0.00017085
-0.00535459 -0.00081718 0.00104320
23.37243794 -7.69752045 -9.54213483
0.00006633 -0.00024126 -0.00013174
-0.02960711 -0.01739577 -0.02398635
1.35610594 -8.03355924 6.63434551
0.00015662 0.00008588 0.00024293
-0.01605629 0.00724091 -0.00376685
-3.87042171 -1.37424074 -18.26521847
0.00015447 0.00037963 0.00016623
0.02451637 0.02908552 -0.01404049
3.41226051 4.22821232 -10.77005174
-0.00037986 0.00020481 0.00010779
-0.01933773 -0.01295450 0.00936191
-2.67925026 16.94467655 13.82331043
0.00000176 -0.00021057 0.00007755
-0.00737334 -0.00316322 -0.03126040
-2.18379025 2.04339325 -7.05348520
-0.00020749 0.00023904 -0.00001576
0.00256004 -0.02584371 0.00810352
-6.64271429 -2.02383589 -4.36132698
-0.00001626 -0.00005600 -0.00009771
0.04712551 0.02427503 0.02195047
0.32836851 28.16025249 7.21306175
0.00016342 0.00006070 0.00030425
-0.00096707 -0.00421067 0.02779646
10.02515117 -9.10457243 -1.45502599
0.00006361 -0.00003338 0.00007525
-0.01582428 -0.00745474 0.00126048
-6.81165454 0.31660015 7.57563641
-0.00005973 0.00006329 0.00010381
0.03286249 0.00615357 0.00819133
18.56309726 11.77802651 6.26572937
-0.00006887 -0.00010077 0.00012083
0.00287979 -0.01334521 0.00799868
-3.26792900 -3.97752371 -23.26685687
0.00002904 -0.00010141 -0.00019211
0.01332677 -0.02944589 -0.03549011
-13.65283477 8.24142108 8.17154137
-0.00000131 0.00004511 0.00032018
-0.00235812 0.00684537 -0.00234630
-11.87930124 7.61350174 -2.55159466
-0.00046745 -0.00040610 -0.00014212
0.00696663 0.00924223 0.00904890
-3.11163199 -16.17554572 20.39833971
-0.00042124 -0.00029982 0.00001453
-0.02627027 -0.02656661 0.00348954
-3.08859719 6.93542335 -8.01844744
-0.00036093 0.00002207 0.00025414
-0.00132233 -0.01551896 -0.02139270
-20.69215687 29.49975890 1.42943069
-0.00012939 0.00014275 -0.00011455
0.04698768 -0.01622519 -0.01556121
9.75878126 3.33128142 7.52728627
0.00006097 -0.00016629 0.00009869
0.03251502 -0.02790392 0.00609899
6.35459859 14.33053375 -13.35760759
0.00001113 0.00020321 0.00053705
0.00885195 0.00535803 -0.03371609
14.16852088 3.86596977 -2.90444061
-0.00005404 -0.00026490 -0.00005349
0.01259330 -0.01501576 0.05420020
-6.36337420 11.10133653 -0.53191577
0.00014512 -0.00000007 0.00005957
-0.00048119 0.01610059 -0.00267777
6.01946988 13.06291054 3.19161702
0.00037967 0.00013667 -0.00007588
0.00178896 0.00346810 -0.00082262
21.85642533 -12.34870823 -11.47530559
0.00023440 0.00027256 -0.00029199
0.00880532 0.01378433 -0.01017986
16.66662364 -6.32650621 3.35953697
0.00008780 0.00005957 -0.00001620
0.01616612 -0.02021934 -0.03001258
15.23442724 7.26762366 9.99257522
0.00017904 -0.00011655 -0.00021780
-0.00740933 0.00870482 0.01197419
3.13609357 -13.85014931 16.56008960
-0.00022586 -0.00000498 -0.00004694
0.00014247 -0.01975460 -0.00933677
-3.56578737 -0.71241527 -10.72055726
-0.00007102 -0.00046464 0.00002318
0.02018770 -0.00416809 -0.02102594
15.27457723 -7.97331426 -9.49006970
0.00022374 0.00005116 -0.00031757
-0.00933389 0.00325983 0.02416539
8.73419145 -3.23624853 6.31984696
0.00026772 -0.00036497 0.00003053
-0.02101390 -0.01057594 0.02975374
-21.33153706 1.61563851 24.57746416
-0.00027305 -0.00000674 -0.00014672
-0.01615609 -0.01119794 -0.00787803
24.92982209 -1.69947086 -6.44514150
-0.00005882 -0.00005715 -0.00010935
-0.00822126 0.01302252 0.00373582
11.58710205 -11.80948364 -9.98285354
0.00015755 -0.00010073 -0.00006071
-0.00665624 -0.01214395 -0.03162589
-4.86854528 -10.23207470 16.66454370
-0.00011885 0.00002385 -0.00020457
0.02801563 -0.02200762 0.05521783
8.00648405 2.11581124 -30.35454487
0.00033840 0.00051232 -0.00036181
-0.01789418 -0.00516628 -0.01544298
10.81676319 17.35525551 14.84756208
0.00003701 -0.00037938 -0.00016675
0.02006773 -0.00734952 -0.00976589
30.67756831 7.28912999 -7.70241385
-0.00021751 0.00001818 0.00006771
0.03191814 -0.01122659 0.00113530
5.75033258 -30.05238039 -5.37294082
-0.00042568 -0.00020990 0.00068317
0.00424548 -0.01319994 0.01362734
4.10147277 -30.58819277 -3.12026902
-0.00004239 -0.00084608 -0.00064785
-0.01221080 0.00681926 0.01066843
-12.30553906 -2.40372510 -13.00969879
0.00002096 0.00042793 -0.00047533
-0.00107290 0.01714737 -0.00539193
-11.85568553 0.63888966 -12.81949183
0.00071766 0.00055289 0.00025136
-0.00194724 -0.03103992 0.01241820
-38.05087699 3.49018047 2.09785625
0.00113015 0.00080513 -0.00027406
-0.00524800 0.02488370 -0.01981161
-39.60673129 1.35008678 3.28047687
-0.00027374 0.00015832 0.00055652
0.00017965 0.00440729 0.00039333
-10.10467756 -2.98430195 0.87149001
0.00080241 -0.00032038 -0.00068017
0.00764814 -0.00509642 0.01797439
-7.86265041 -3.94208929 2.75394121
0.00069419 0.00002946 0.00139458
-0.02973002 0.01897081 -0.00202587
0.07223529 -0.16047545 7.14615800
0.00045360 -0.00012876 0.00050416
0.00916288 -0.00272106 0.03917538
2.01831833 0.96611869 8.96399284
-0.00015984 0.00024250 -0.00085296
0.00901862 0.00863101 0.00558201
-31.76467952 0.95993753 2.20303955
-0.00083913 -0.00032162 0.00120079
-0.00891897 0.02022462 -0.00492530
-34.20327771 2.62138444 2.31609904
0.00076730 0.00084499 -0.00006214
0.01399306 -0.00061423 -0.00642681
12.55672539 12.83182968 -15.16639493
0.00044813 0.00015159 0.00041494
-0.04369007 -0.02919578 -0.04419491
15.56254483 13.32842650 -15.11507081
0.00072365 -0.00019991 -0.00038168
-0.03468051 -0.00969828 0.00931399
-3.83898960 8.93276063 4.52413846
-0.00010581 0.00012339 0.00012982
-0.00508793 -0.01789405 0.01213468
-2.85866768 6.96863191 2.56252748
-0.00077219 -0.00000128 -0.00123863
-0.02623385 -0.00753961 0.04168739
5.69176723 16.47506573 -10.35711522
0.00024309 -0.00042191 0.00082792
0.00382738 -0.00949546 -0.03095338
7.47713938 16.95777497 -8.13940088
-0.00006083 -0.00011035 0.00043963
0.00951042 0.00022066 0.00001341
7.98706836 7.22295958 -22.59792264
0.00072194 -0.00001299 -0.00024184
-0.00628003 -0.00155466 0.00950397
8.18091280 7.36293228 -19.72705444
0.00010452 0.00028114 0.00005754
-0.00497576 0.00338218 -0.00410443
21.94509564 17.79792583 -1.97002782
-0.00027583 0.00058152 -0.00086452
0.00933963 -0.00991412 -0.00284775
24.40874026 18.39611205 -3.41171625
0.00069874 -0.00033544 -0.00002291
0.00368397 0.00512241 -0.00784977
0.94985398 11.09167715 -21.85725920
0.00098552 0.00014549 0.00094430
0.00557966 0.02422474 0.01136728
1.05107165 14.15889442 -22.33709953
-0.00074771 0.00037415 0.00061175
0.00039848 -0.00968618 -0.00101438
9.94171846 -5.54527691 -1.51917081
-0.00052647 -0.00071871 0.00011947
0.01085850 0.04053667 -0.00789147
8.63740465 -2.76389046 -1.44159814
0.00045602 0.00084918 -0.00132893
0.03131850 -0.01544727 -0.01604417
-19.05156552 -4.13606970 4.99031792
0.00038824 -0.00033284 -0.00006623
0.00396151 0.01839271 0.00663194
-17.46325905 -3.16609270 2.91597108
0.00048645 -0.00009156 0.00059517
0.00042033 0.01258212 0.01402670
-15.17793522 -0.05999860 16.83468889
-0.00070918 0.00040183 -0.00013308
0.00067217 0.00147648 0.01247466
-14.04034490 1.50604012 18.95930269
0.00045448 -0.00082935 -0.00004269
-0.00992226 -0.01467460 -0.00098019
3.11126911 3.58639275 -4.57610616
0.00043416 -0.00079725 0.00012504
-0.00296722 0.00003250 0.00814179
4.04048682 1.31151287 -2.99067982
-0.00148626 -0.00046522 -0.00096111
-0.00536175 0.01286673 -0.00276739
22.93259082 -9.37893379 -10.19702321
-0.00013680 0.00025105 0.00017216
-0.00330819 0.00248145 -0.00446489
24.93502755 -7.93881204 -8.78707270
-0.00032454 -0.00004978 0.00023774
0.03658015 0.00301684 0.02118710
1.98103507 -8.15929694 4.95556623
0.00090080 -0.00087061 0.00021264
0.00022866 -0.01131399 -0.01799796
2.77270188 -7.32157214 7.47667383
-0.00040498 -0.00082325 0.00084677
0.01417383 0.00114580 0.02062031
-4.24840096 -2.97050393 -17.58630472
0.00047546 0.00079370 0.00022733
-0.00671121 -0.02477534 0.01201494
-4.78371734 -0.19632850 -17.16886535
0.00002271 -0.00011127 0.00106172
-0.00855552 -0.00767360 -0.00189749
2.26731910 4.89193008 -12.03199338
0.00018877 -0.00090438 0.00027096
0.00630149 0.01076409 -0.01484408
2.08322782 3.47315278 -9.74336938
0.00034852 0.00003671 0.00088634
0.00745583 0.00115891 0.00867947
-1.28105640 15.73445544 13.53964037
0.00096435 0.00114935 0.00016503
0.00574063 0.00364570 -0.01152769
-2.56563098 17.06541381 15.56497715
0.00094920 -0.00023024 0.00023586
-0.00645661 0.00930052 0.04552687
-1.79463195 0.84449012 -5.70507384
0.00068260 -0.00011017 0.00042668
-0.00334673 0.01332473 -0.00429654
-3.04806164 0.89204354 -8.32768123
0.00020127 -0.00079691 -0.00110895
0.00566819 0.01644718 0.00729676
-7.90861824 -2.88856908 -5.16001268
-0.00043964 0.00039438 -0.00003870
-0.04665236 -0.03109513 -0.02311789
-7.25572696 -0.32999478 -4.16092489
-0.00064232 -0.00066166 -0.00003025
-0.00161487 0.00873856 0.00282931
1.39082378 28.64922865 5.88712748
0.00049622 -0.00014984 -0.00051958
0.02823865 0.00560088 -0.02437544
-1.25779115 28.32847779 6.34853167
-0.00141259 0.00079104 0.00033905
-0.02562613 -0.00217275 -0.00388470
8.23575276 -9.19921284 -2.02796628
-0.00015331 0.00004361 -0.00024383
0.01350174 0.00543657 -0.00488011
9.90936540 -9.85995253 0.22152810
-0.00006369 -0.00047514 -0.00097032
0.00916447 0.00535460 0.00137115
-5.44979967 -0.22639094 8.83703095
-0.00010325 0.00090183 -0.00020774
-0.03229016 0.00950324 -0.00770238
-8.34989475 -0.54423315 7.99276157
-0.00058814 0.00075956 -0.00004129
-0.00379984 -0.00635129 0.00774496
19.89141473 11.41678110 7.48661041
0.00115422 -0.00021484 0.00026885
-0.00578410 -0.00305281 0.01086730
19.50973601 12.78852491 5.14618192
0.00044716 0.00028109 0.00090012
0.00981158 0.02100152 -0.01740456
-3.48282175 -3.10063492 -21.76987171
0.00054000 0.00162107 -0.00043436
-0.00937507 0.03311175 0.03631934
-4.50769628 -3.38494544 -24.50680457
-0.00031917 0.00063827 0.00126487
-0.00649768 0.00445187 0.00293366
-12.56480860 9.12424860 9.35410626
0.00047267 0.00058464 -0.00044084
-0.00036584 -0.00200674 0.01068750
-13.11227028 9.01089633 6.59201031
0.00003403 -0.00047930 0.00025668
-0.00094216 -0.00156802 -0.00285453
-12.63703609 7.37676355 -4.18478741
0.00021462 0.00013091 -0.00044515
-0.00275216 0.00259791 -0.01583386
-11.42929722 9.41288320 -2.39589484
0.00030492 0.00048614 -0.00026678
-0.00466508 -0.00876696 -0.00363835
-4.75512998 -17.18076760 20.27183690
0.00047475 -0.00003224 0.00019506
0.02864030 0.02074136 -0.00504719
-1.83580667 -17.42137177 19.96895817
-0.00042854 0.00092849 -0.00022723
-0.00401147 0.00576446 -0.00224559
-3.34588932 5.53219363 -6.88939869
-0.00106753 0.00033073 0.00039325
0.00525101 -0.00935249 -0.00218023
-3.50468767 8.36912159 -7.06899850
0.00026980 -0.00100756 -0.00036065
-0.00948903 0.03253631 0.02234010
-20.93217132 28.47335019 -0.09476148
-0.00035399 -0.00052780 0.00009652
-0.00625464 0.00765569 0.01127289
-18.78498627 29.14258941 1.58958878
0.00049152 -0.00012195 0.00040324
-0.03521744 0.01740420 0.00142422
8.88478095 2.70258087 6.11055065
0.00024183 -0.00101431 -0.00107702
-0.01965213 -0.01621633 -0.02141572
8.96516430 4.89148804 7.79642444
0.00056422 -0.00031633 -0.00002972
-0.01423497 0.04256659 0.01737656
7.00531293 14.52770102 -15.15614018
0.00007967 0.00063925 0.00040946
-0.01332592 -0.00765114 0.03733061
5.87038676 12.57385118 -13.17303471
0.00118140 0.00160567 -0.00030789
0.00531910 0.00357182 -0.00555747
13.28785671 5.24366463 -3.58216340
-0.00016463 0.00019055 0.00079310
-0.01509276 0.02581757 -0.01966728
13.65612341 4.12466938 -1.07296589
-0.00040667 0.00025349 0.00074585
0.00358003 -0.01782865 -0.03049863
-5.64687112 9.66064518 0.26068039
0.00082274 -0.00080889 0.00027408
0.00652353 -0.01461508 0.00319653
-7.81889277 11.50169199 0.49333663
-0.00090069 -0.00160452 -0.00071654
-0.00674087 -0.00417855 -0.00088420
4.49763837 12.76620357 2.16755402
0.00008253 -0.00023810 -0.00018364
0.00755984 -0.00450894 0.00280482
7.28048610 11.77397441 2.83438264
-0.00089294 0.00146298 -0.00072169
-0.00839135 0.00343156 0.00281928
20.36048697 -12.97126863 -10.68390805
-0.00033406 0.00017258 0.00069474
-0.00748700 -0.01026255 0.00991476
22.27165331 -13.60161908 -12.76175915
-0.00061651 -0.00066290 -0.00081817
0.00129694 -0.00236956 0.00013069
17.76760390 -6.47587102 1.84597445
0.00050522 0.00074281 0.00146700
-0.00849323 0.01335402 0.01046715
15.90668035 -7.98988217 3.18534113
0.00047473 -0.00102726 0.00005989
-0.00833927 0.00624665 0.01103030
13.98513700 8.50753969 10.69603837
-0.00028830 -0.00009971 0.00058150
0.01475669 -0.01578233 -0.00726972
16.35292457 6.88820560 11.42802034
0.00047261 -0.00057009 -0.00086548
-0.00655206 0.00139165 -0.00945254
2.93511734 -13.58424426 14.73824621
-0.00049607 0.00133922 -0.00001883
-0.00005491 0.00978939 0.01991975
3.91527627 -12.48890550 17.48582538
-0.00084353 0.00029119 -0.00096980
-0.00006945 0.00961616 -0.01434401
-3.28104749 -2.45220558 -10.16478736
-0.00017907 0.00000137 -0.00057976
-0.00516889 -0.00529110 0.00656267
-1.87068195 -0.35072757 -11.56522174
0.00062727 -0.00017538 -0.00023564
-0.02008968 0.00050262 0.00803853
14.87976986 -7.70185090 -11.22233743
-0.00002271 0.00026086 0.00096037
-0.00814777 -0.00193525 -0.02517275
16.69397113 -6.89328454 -9.05688573
0.00057247 0.00009367 0.00117049
0.00842413 0.00258971 0.00127925
6.88905080 -2.78646358 6.26781096
0.00013583 -0.00009371 -0.00007436
0.03323161 -0.00257130 -0.02028232
9.78553199 -2.81829664 4.90860503
0.00112473 -0.00074209 -0.00027481
-0.00092841 0.00258830 -0.01343398
-21.86471210 1.70282465 22.80174182
0.00043492 -0.00102613 0.00021688
0.00923232 -0.00038211 0.01503096
-22.59578219 0.49634246 25.35789328
-0.00012566 0.00042353 -0.00019321
0.00683348 0.00738961 -0.01096585
25.44080707 -3.00701532 -7.57805824
0.00022282 0.00015930 -0.00033049
0.01058361 -0.01411604 -0.00999758
23.67850340 -0.73692942 -7.36019307
-0.00007313 0.00073094 0.00073445
-0.00032033 -0.00066653 0.00397086
10.92304082 -12.65851901 -8.55397959
0.00133155 -0.00047388 0.00026913
-0.01005785 -0.01006737 0.01483140
12.59648441 -10.42210365 -9.54127577
-0.00016803 0.00043270 0.00062275
0.01814788 0.02327245 0.00974761
-5.55178343 -10.45910286 18.41838888
0.00072756 -0.00011124 0.00059050
0.01146074 0.00160877 -0.02249935
-6.22072798 -9.70897695 15.69543575
0.00064518 -0.00032879 -0.00068484
-0.03349163 0.01291186 -0.02953820
8.64971051 0.87301723 -31.58207481
0.00010392 0.00031761 -0.00075422
0.00557895 0.00319735 0.00225475
6.31859869 2.48012372 -31.04043854
0.00054004 -0.00015945 -0.00043181
0.01024306 -0.00223608 0.00191187
11.22413074 18.62283530 13.58238213
0.00072694 -0.00154218 0.00010746
-0.00350273 0.00182072 -0.00110738
12.16749911 16.08943468 14.56021955
-0.00031014 -0.00042873 0.00012102
-0.01405211 0.00831390 -0.00019164
30.42709582 5.55209673 -8.26009619
0.00044342 -0.00028255 0.00028138
0.00546556 -0.00112748 0.00201685
29.10307969 7.90627437 -7.21478006
0.00117294 -0.00046391 -0.00037669
-0.03713769 0.00972783 0.00830940
-8.38775793 4.95839311 5.66855592
-0.00010612 -0.00019600 -0.00010496
0.00610548 0.00358243 0.00936781
-10.77271813 10.12825572 3.49089644
0.00004118 0.00004705 -0.00014274
0.00177643 -0.00133879 0.00033641
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08103206
0.32178484
428.76217287
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.042 s
total exchange = -52.3813813704 (a.u.)
total exchange computation time: 2.7339630127 s
-154.3076259710
-931.40051591
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.041 s
total exchange = -52.3808226939 (a.u.)
total exchange computation time: 2.7321450710 s
-154.3127002581
Anderson extrapolation: theta=1.3499655954 (1.3499655954)
-931.40074338
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.041 s
total exchange = -52.3799746380 (a.u.)
total exchange computation time: 2.7337419987 s
-154.3201876737
Anderson extrapolation: theta=0.0533512852 (0.0533512852)
-931.40087964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.039 s
total exchange = -52.3798553211 (a.u.)
total exchange computation time: 2.7316310406 s
-154.3211521713
Anderson extrapolation: theta=2.0059331064 (2.0000000000)
-931.40088516
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.039 s
total exchange = -52.3795966901 (a.u.)
total exchange computation time: 2.7327191830 s
-154.3232163172
Anderson extrapolation: theta=0.2440470059 (0.2440470059)
-931.40089158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.039 s
total exchange = -52.3795316843 (a.u.)
total exchange computation time: 2.7322521210 s
-154.3237139881
Anderson extrapolation: theta=1.8680291957 (1.8680291957)
-931.40089301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.041 s
total exchange = -52.3794355152 (a.u.)
total exchange computation time: 2.7316389084 s
-154.3244261134
Anderson extrapolation: theta=0.3100680921 (0.3100680921)
-931.40089489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.042 s
total exchange = -52.3794317160 (a.u.)
total exchange computation time: 2.7322590351 s
-154.3244297033
Anderson extrapolation: theta=1.3340443016 (1.3340443016)
-931.40089541
-256.148871 122.205736 8.742900
565.889125 1066.895675 -419.362575
309.740253 1189.101412 -410.619675
1295.573120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1398161168
ExchangeOperator: bisection time: 3.040 s
total exchange = -52.3794468051 (a.u.)
total exchange computation time: 2.7353360653 s
678.87102778
-1084.07670037
89.88671547
-388.86463504
-174.83785692
78.46973240
551.60419304
0.00000000
-931.40089588
5.64828824 -31.15924662 -3.85046131
-0.00002688 -0.00011735 0.00022497
0.00176551 0.00620049 -0.02848235
-11.71858506 -1.03624254 -11.86662736
-0.00029998 -0.00000618 -0.00000547
0.00431682 0.02410084 0.00085398
-38.06032752 2.32785391 3.44252024
0.00008763 -0.00001897 -0.00014668
0.00668510 -0.02101059 0.01513376
-9.39200918 -2.77685893 2.62645574
-0.00073279 -0.00000742 -0.00027103
0.01696763 -0.00975635 -0.01554650
0.59670306 -0.15090088 8.98669095
0.00016694 -0.00021016 0.00003500
-0.00948715 -0.00576627 -0.04633804
-32.39217996 2.74709716 1.91504524
-0.00013288 0.00014135 -0.00033816
0.00523488 -0.02833101 0.01413439
13.86784596 13.49648909 -14.29065785
0.00014441 0.00023321 -0.00024713
0.08533098 0.04321987 0.03894242
-3.87555725 7.05965068 4.24119001
-0.00037751 0.00006319 -0.00025427
0.02924426 0.01654023 -0.05457121
5.71954047 16.69232726 -8.58973671
0.00015454 0.00002365 0.00013733
-0.00712213 0.00530990 0.03911435
6.92583333 7.02684510 -21.03882433
-0.00036428 0.00040718 0.00003353
0.01320508 -0.00354995 -0.00670017
23.63242120 17.08805620 -2.40604687
-0.00048065 -0.00000079 0.00037364
-0.00851044 0.00127714 0.00770333
1.33848506 12.79591573 -21.12177368
0.00003503 0.00011478 0.00014284
-0.00402271 -0.01095211 -0.00777431
10.29344538 -3.63860231 -1.80889979
0.00023687 0.00021702 0.00015798
-0.03649622 -0.03324490 0.02406857
-18.01106715 -2.62861327 4.61680597
0.00035474 0.00001067 0.00018766
-0.02045439 -0.03363348 -0.01935883
-15.21007431 0.08938677 18.68611702
-0.00019550 0.00016437 -0.00019736
0.01366411 0.00794780 -0.00311356
2.79960586 2.71743320 -2.99311090
0.00003936 0.00007490 0.00017162
-0.00764597 0.00015954 0.00196122
23.37331873 -7.70120644 -9.54420340
0.00005110 -0.00024920 -0.00014382
-0.02962068 -0.01348000 -0.02299421
1.35839335 -8.03224306 6.63797498
0.00014778 0.00008911 0.00023966
-0.01835192 0.00530206 -0.00895778
-3.86801010 -1.36843411 -18.26277911
0.00016684 0.00039555 0.00015914
0.02359719 0.03281671 -0.01354391
3.40648797 4.23123456 -10.76839871
-0.00038856 0.00019748 0.00011380
-0.01447288 -0.01557565 0.01397593
-2.67925228 16.94150575 13.82435316
-0.00000206 -0.00021197 0.00006249
-0.00748374 -0.00227542 -0.02733180
-2.18689268 2.04687917 -7.05369036
-0.00020630 0.00022426 -0.00001160
0.00206599 -0.03164028 0.00806958
-6.64277643 -2.02458223 -4.36270801
0.00000752 -0.00004434 -0.00008685
0.04536448 0.02107469 0.02029488
0.33081610 28.16114679 7.21773271
0.00016157 0.00005930 0.00031597
-0.00622269 -0.00123882 0.01779431
10.02604424 -9.10510192 -1.45389239
0.00005512 -0.00003668 0.00007439
-0.01717562 -0.00535920 -0.00459883
-6.81242373 0.31757323 7.57722523
-0.00004343 0.00006674 0.00010747
0.03052030 0.00727749 0.00603066
18.56207528 11.77646344 6.26757269
-0.00006584 -0.00010789 0.00012599
0.00892965 -0.01432569 0.01207463
-3.26744201 -3.97915838 -23.26987535
0.00003582 -0.00011557 -0.00020803
0.01305660 -0.02561582 -0.02644753
-13.65286349 8.24212408 8.17633496
-0.00000237 0.00004865 0.00031920
-0.00175161 0.00694345 -0.00145590
-11.88628608 7.60744588 -2.55369159
-0.00046337 -0.00039962 -0.00013720
0.00887340 0.01594775 0.01007603
-3.11805195 -16.18014545 20.39857114
-0.00043466 -0.00031171 0.00001682
-0.02589699 -0.01967682 0.00540375
-3.09401618 6.93569454 -8.01471789
-0.00036093 0.00001170 0.00024165
0.00132689 -0.02479653 -0.02715747
-20.69391648 29.50183749 1.42765234
-0.00010468 0.00013413 -0.00012260
0.04910129 -0.01728570 -0.01573732
9.75982116 3.32867942 7.52879013
0.00007686 -0.00018226 0.00009966
0.02930511 -0.03420357 -0.00231320
6.35479967 14.33360249 -13.34968192
0.00001666 0.00020926 0.00051903
0.01267345 0.01819241 -0.03636996
14.16775884 3.86193833 -2.90503395
-0.00004820 -0.00027200 -0.00002471
0.01011669 -0.01258342 0.05772877
-6.36119922 11.10139755 -0.53103250
0.00014575 0.00000635 0.00005919
0.00290504 0.00888380 0.00119181
6.02517176 13.06497401 3.19047570
0.00037773 0.00014046 -0.00007615
-0.00933014 0.01127799 -0.00024513
21.85997533 -12.34456666 -11.47972464
0.00023746 0.00027802 -0.00029725
0.00309737 0.00744879 -0.01028269
16.66800295 -6.32569061 3.35917814
0.00009454 0.00004810 -0.00003015
0.01004996 -0.02437544 -0.02422210
15.23708424 7.26590903 9.98935435
0.00017445 -0.00011158 -0.00021176
-0.01041743 0.01063018 0.01154572
3.13270625 -13.85030019 16.55934955
-0.00022616 -0.00001539 -0.00005273
-0.00131665 -0.02073893 -0.01317509
-3.56677483 -0.71940097 -10.72029064
-0.00005995 -0.00046540 0.00001173
0.02286636 0.00119934 -0.02351778
15.27789727 -7.97253436 -9.49474007
0.00022022 0.00005295 -0.00030237
-0.00434830 0.00370382 0.03495208
8.73812623 -3.24176387 6.32041961
0.00025759 -0.00037003 0.00004485
-0.01837226 -0.00909967 0.02595763
-21.33569513 1.61549427 24.57523295
-0.00028059 -0.00001218 -0.00015001
-0.01316665 -0.00997246 -0.00492099
24.92890814 -1.70027792 -6.44676734
-0.00006290 -0.00005058 -0.00010732
-0.00764028 0.01255629 0.00414687
11.58943966 -11.81104138 -9.98388615
0.00015476 -0.00010614 -0.00007640
-0.00419511 -0.00890084 -0.02939386
-4.87021993 -10.23180184 16.66168817
-0.00010361 0.00001219 -0.00017522
0.03123590 -0.02333779 0.05892219
8.01149099 2.12347615 -30.36003157
0.00032977 0.00050913 -0.00036998
-0.01565978 -0.00724404 -0.01633563
10.81739574 17.34953649 14.84502320
0.00004679 -0.00038396 -0.00017070
0.01797071 -0.01048082 -0.00561283
30.67442879 7.28935931 -7.70139384
-0.00019770 0.00001090 0.00006723
0.04512614 -0.01706137 -0.00301541
5.74407747 -30.05593333 -5.36227576
-0.00040646 -0.00026051 0.00073327
0.00516348 -0.01157641 0.01089690
4.10046269 -30.60067504 -3.12965983
-0.00010039 -0.00081635 -0.00059904
-0.01617702 0.00773325 0.01322321
-12.30525750 -2.39678074 -13.01699392
0.00001547 0.00049604 -0.00049877
-0.00161462 0.01619310 -0.00608305
-11.84498025 0.64623182 -12.81534082
0.00070864 0.00042387 0.00030259
-0.00247020 -0.03211640 0.01265481
-38.03408560 3.50301994 2.09313821
0.00110664 0.00089779 -0.00034592
-0.00625862 0.02047416 -0.01536426
-39.61083184 1.35259660 3.28883674
-0.00027095 0.00017891 0.00055612
0.00118492 0.00567205 -0.00059009
-10.09240700 -2.98926380 0.86183818
0.00083165 -0.00034127 -0.00060859
0.00666297 -0.00513186 0.01706543
-7.85314855 -3.94106600 2.77479783
0.00056291 0.00011292 0.00138362
-0.03453102 0.02187930 -0.00333765
0.07932004 -0.16249027 7.15492091
0.00048751 -0.00014123 0.00065699
0.00743602 -0.00337964 0.03563530
2.01619702 0.97002064 8.95136942
-0.00012327 0.00027740 -0.00082803
0.00888377 0.00845587 0.00662379
-31.77753976 0.95573298 2.22090041
-0.00087526 -0.00023599 0.00117830
-0.00876558 0.02168975 -0.00608002
-34.19133942 2.63404046 2.31497006
0.00081189 0.00084238 -0.00008633
0.00783368 -0.00066207 -0.00541699
12.56210851 12.83320895 -15.16152506
0.00026207 0.00002787 0.00022926
-0.04738435 -0.03136877 -0.04669958
15.57233692 13.32513060 -15.12051053
0.00057584 -0.00023887 -0.00034029
-0.03767351 -0.00937231 0.01094374
-3.84073272 8.93406310 4.52645758
-0.00012645 0.00004982 0.00017851
-0.00501158 -0.01811732 0.01170169
-2.87105448 6.96838160 2.54522548
-0.00088095 -0.00003139 -0.00106320
-0.02700119 -0.00719713 0.04418675
5.69553088 16.46844609 -10.34564487
0.00025880 -0.00046205 0.00069080
0.00386422 -0.01015178 -0.03617076
7.47651830 16.95612656 -8.13280608
-0.00002028 -0.00010909 0.00043980
0.01033978 0.00039439 0.00007428
7.99770506 7.22271706 -22.60125903
0.00069096 -0.00001998 -0.00019784
-0.00888804 -0.00186394 0.01203419
8.18232811 7.36725300 -19.72631708
0.00008101 0.00029462 0.00003878
-0.00653280 0.00321502 -0.00508206
21.94124438 17.80634485 -1.98308287
-0.00024035 0.00054191 -0.00087493
0.00802887 -0.00947582 -0.00224923
24.41933425 18.39123743 -3.41230046
0.00071002 -0.00032015 -0.00005032
0.00183959 0.00236045 -0.00556749
0.96480783 11.09460177 -21.84274643
0.00100565 0.00023846 0.00098658
0.00427274 0.02128542 0.00933191
1.03986828 14.16420991 -22.32795439
-0.00074576 0.00033370 0.00060674
0.00055349 -0.01011511 -0.00143643
9.93415419 -5.55481535 -1.51762054
-0.00048021 -0.00054407 0.00008640
0.01178410 0.04494904 -0.00829771
8.64520457 -2.75162604 -1.46202373
0.00058102 0.00078655 -0.00139266
0.02987326 -0.01521117 -0.01515114
-19.04562046 -4.14049873 4.98952765
0.00040541 -0.00025576 -0.00003883
0.00443962 0.01934057 0.00678117
-17.45594945 -3.16708047 2.92532843
0.00049003 -0.00004078 0.00064786
0.00133359 0.01227118 0.01176467
-15.18855238 -0.05392589 16.83307497
-0.00070575 0.00040755 -0.00008337
0.00100883 0.00132415 0.01185783
-14.03383168 1.49315017 18.95863233
0.00041660 -0.00088503 -0.00004610
-0.00862241 -0.01258008 -0.00069231
3.11769062 3.57443505 -4.57398100
0.00042164 -0.00079307 0.00015400
-0.00316182 0.00201242 0.00603379
4.01802858 1.30492890 -3.00518123
-0.00150307 -0.00041842 -0.00096949
-0.00286591 0.01004137 -0.00133856
22.93043746 -9.37509206 -10.19457760
-0.00015164 0.00025475 0.00015149
-0.00395553 -0.00066607 -0.00565419
24.93128041 -7.93946634 -8.78285741
-0.00017313 -0.00003811 0.00032505
0.03753577 0.00269560 0.02155404
1.99455409 -8.17270276 4.95820432
0.00090001 -0.00091585 0.00014612
-0.00061778 -0.01083151 -0.01456432
2.76706156 -7.33388578 7.49000723
-0.00034071 -0.00081526 0.00093424
0.01728314 0.00276566 0.02219970
-4.24147471 -2.95935770 -17.58252666
0.00044755 0.00068546 0.00027818
-0.00695190 -0.02820464 0.01287910
-4.78363892 -0.19823276 -17.15299769
-0.00001051 -0.00014334 0.00105088
-0.00770573 -0.00802248 -0.00340921
2.27034369 4.87869423 -12.02838386
0.00020572 -0.00085571 0.00020207
0.00199643 0.01305950 -0.01887980
2.08868411 3.47373900 -9.72980833
0.00037830 0.00004232 0.00092073
0.00711976 0.00158686 0.00815688
-1.26641525 15.75180739 13.54176251
0.00098856 0.00116132 0.00011584
0.00610938 0.00221571 -0.01255044
-2.55159088 17.06224518 15.56991019
0.00092176 -0.00019204 0.00041601
-0.00697150 0.00939747 0.04265740
-1.78449549 0.84324585 -5.69880532
0.00066563 -0.00004969 0.00040106
-0.00495995 0.01628022 -0.00824148
-3.04486897 0.88059396 -8.34409187
0.00022827 -0.00072454 -0.00107143
0.00755023 0.01897564 0.01107087
-7.91664239 -2.88360616 -5.16130154
-0.00062659 0.00026790 -0.00013104
-0.04486109 -0.03081839 -0.02208595
-7.26541118 -0.33965194 -4.16129190
-0.00064943 -0.00061974 -0.00001731
-0.00186778 0.01178088 0.00350566
1.39913235 28.64715263 5.87858691
0.00059998 -0.00013130 -0.00060824
0.02255419 0.00347734 -0.01902618
-1.27976533 28.34027683 6.35349843
-0.00149615 0.00078054 0.00033134
-0.01527241 -0.00296523 0.00010880
8.23386688 -9.19839206 -2.03177326
-0.00009524 0.00006588 -0.00026287
0.01492474 0.00546537 -0.00444000
9.90869085 -9.86691556 0.20701532
-0.00002668 -0.00045758 -0.00095376
0.00895231 0.00324009 0.00673726
-5.45233782 -0.21257229 8.83367883
-0.00023308 0.00093776 -0.00023533
-0.03126296 0.00808712 -0.00580338
-8.35883334 -0.53303434 7.99237954
-0.00060118 0.00073377 -0.00000896
-0.00258028 -0.00627488 0.00808308
19.90855076 11.41346491 7.49097620
0.00111979 -0.00022545 0.00030562
-0.01106815 -0.00213942 0.00712880
19.51674404 12.79338476 5.15915043
0.00048599 0.00036685 0.00082853
0.00919884 0.02098004 -0.01763862
-3.47500905 -3.07530422 -21.77527420
0.00050562 0.00174824 -0.00029686
-0.00745490 0.02913770 0.03098942
-4.51268298 -3.37523504 -24.48774164
-0.00034944 0.00065649 0.00126951
-0.00831673 0.00446753 -0.00066343
-12.55772972 9.13295672 9.34782119
0.00047014 0.00057544 -0.00039666
-0.00087519 -0.00249844 0.01093629
-13.11178872 9.00365876 6.59577302
0.00003008 -0.00048505 0.00024226
-0.00099065 -0.00124639 -0.00420277
-12.63390110 7.37880688 -4.19194981
0.00020242 0.00014065 -0.00051083
-0.00322016 0.00216566 -0.01631754
-11.42486634 9.41990671 -2.40000798
0.00028243 0.00043744 -0.00028211
-0.00634739 -0.01507469 -0.00386564
-4.74713104 -17.18061565 20.27460814
0.00058282 0.00004698 0.00017375
0.02425860 0.01803686 -0.00538430
-1.84235764 -17.40726783 19.96548093
-0.00043653 0.00094367 -0.00023927
0.00009698 0.00166943 -0.00364767
-3.36174141 5.53686805 -6.88356679
-0.00104572 0.00029103 0.00038381
0.00542922 -0.01008428 -0.00244043
-3.50093145 8.35500519 -7.07372370
0.00022574 -0.00085420 -0.00025727
-0.01207793 0.04253439 0.02826712
-20.93767279 28.46566775 -0.09296827
-0.00037788 -0.00049468 0.00014513
-0.00544093 0.00855856 0.01252534
-18.77869264 29.14129348 1.59568101
0.00034183 -0.00005010 0.00040691
-0.03805487 0.01776630 0.00037233
8.88780621 2.68686933 6.09373917
0.00017073 -0.00107120 -0.00114687
-0.01515203 -0.01163504 -0.01278030
8.97319137 4.88804750 7.79651111
0.00050277 -0.00013869 0.00004064
-0.01584514 0.04438644 0.01706443
7.00609967 14.53705535 -15.14885437
0.00002539 0.00060900 0.00056332
-0.01324701 -0.00715800 0.03798758
5.88827070 12.59804568 -13.17782331
0.00119531 0.00159270 -0.00032643
0.00149280 -0.00991857 -0.00351812
13.28492474 5.24731400 -3.57086953
-0.00022476 0.00029370 0.00071288
-0.01434078 0.02467653 -0.01960147
13.65013305 4.12792535 -1.06271271
-0.00038882 0.00017796 0.00061329
0.00515757 -0.01914137 -0.03438880
-5.63433006 9.64806395 0.26488950
0.00084195 -0.00085385 0.00027922
0.00287774 -0.00739288 -0.00068093
-7.83260964 11.47749612 0.48256144
-0.00092732 -0.00162153 -0.00071993
-0.00629650 -0.00414496 -0.00077575
4.49910804 12.76249387 2.16488538
0.00011646 -0.00025396 -0.00016920
0.00904492 -0.00325425 0.00426560
7.26683481 11.79602431 2.82364368
-0.00090823 0.00145881 -0.00071434
0.00090688 -0.00547588 0.00077708
20.35524670 -12.96899442 -10.67318316
-0.00035143 0.00013621 0.00072795
-0.00101948 -0.00753880 0.00634249
22.26244536 -13.61163522 -12.77402769
-0.00061266 -0.00066584 -0.00081010
0.00058900 0.00093013 0.00381910
17.77492196 -6.46431967 1.86830017
0.00047738 0.00079559 0.00149856
-0.00513491 0.01248105 0.00498281
15.91354573 -8.00509964 3.18657747
0.00044584 -0.00099068 0.00010452
-0.00579957 0.01165926 0.01081601
13.98126475 8.50556047 10.70453807
-0.00022348 -0.00016783 0.00054949
0.01697117 -0.01756241 -0.00839891
16.35981300 6.87969684 11.41474845
0.00044719 -0.00056444 -0.00090104
-0.00589144 0.00137355 -0.00795349
2.92767454 -13.56385599 14.73857416
-0.00049677 0.00137619 0.00006423
-0.00028321 0.00830632 0.02073647
3.90262126 -12.48424291 17.47083885
-0.00084042 0.00033519 -0.00102200
0.00159153 0.01191824 -0.01121000
-3.28389197 -2.45234719 -10.17328262
-0.00019908 -0.00002835 -0.00055003
-0.00462600 -0.00925638 0.00798687
-1.86188847 -0.35334289 -11.56851000
0.00053954 -0.00017476 -0.00020019
-0.02285566 -0.00019880 0.00931142
14.87917948 -7.69799726 -11.20870331
-0.00005830 0.00025710 0.00083959
-0.00927289 0.00009155 -0.03394852
16.70281639 -6.89180014 -9.03928925
0.00059980 0.00009923 0.00117129
0.00495237 0.00013024 -0.00088310
6.89210651 -2.78794799 6.26607409
0.00027292 -0.00010452 -0.00015740
0.03387939 -0.00272390 -0.02036719
9.80237449 -2.82934875 4.90407126
0.00111466 -0.00073392 -0.00032217
-0.00399995 0.00141236 -0.00975165
-21.85790535 1.68742103 22.80545558
0.00047026 -0.00102657 0.00026942
0.00806691 0.00016511 0.01068917
-22.59745775 0.50292181 25.35465916
-0.00010136 0.00045037 -0.00023490
0.00506261 0.00575074 -0.00944344
25.44447374 -3.00505832 -7.58332192
0.00026473 0.00010371 -0.00037108
0.00992743 -0.01309702 -0.00987107
23.67739664 -0.72598572 -7.34905460
-0.00007407 0.00072708 0.00074960
-0.00014166 -0.00122407 0.00344371
10.94270587 -12.66593572 -8.54948812
0.00129006 -0.00051521 0.00032841
-0.01025230 -0.01016331 0.01418605
12.59452003 -10.41490005 -9.53163575
-0.00009812 0.00052138 0.00065936
0.01607549 0.02013618 0.00817323
-5.54051881 -10.46072212 18.42655686
0.00077313 -0.00010323 0.00049264
0.01084632 0.00231250 -0.02539996
-6.21207655 -9.71351316 15.68425805
0.00050240 -0.00027453 -0.00080722
-0.03639823 0.01364736 -0.03036798
8.65144024 0.87787940 -31.59331908
0.00012666 0.00033263 -0.00074191
0.00555383 0.00415345 0.00377372
6.32701312 2.47766340 -31.04685704
0.00057731 -0.00016648 -0.00042496
0.00800483 -0.00120473 0.00143827
11.23492757 18.59975836 13.58396012
0.00071415 -0.00152479 0.00009429
-0.00275821 0.00669123 -0.00534059
12.16241644 16.08325847 14.56202902
-0.00036495 -0.00039827 0.00012089
-0.01278016 0.00659915 0.00012780
30.43391458 5.54782390 -8.25581371
0.00046546 -0.00028543 0.00029018
0.00532628 -0.00028326 0.00229145
29.11953573 7.89961375 -7.22017572
0.00099466 -0.00041392 -0.00033507
-0.05012834 0.01474606 0.01206151
-8.38933341 4.95546266 5.66700671
-0.00010393 -0.00019468 -0.00010160
0.00617142 0.00381437 0.00936481
-10.77209733 10.12895922 3.48875598
0.00004161 0.00004671 -0.00014266
0.00188443 -0.00166143 0.00027901
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08103997
0.31985591
426.19196789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.309 s
total exchange = -52.3818576042 (a.u.)
total exchange computation time: 2.7010531425 s
-154.3173237068
-931.39859842
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.313 s
total exchange = -52.3812274991 (a.u.)
total exchange computation time: 2.7045249939 s
-154.3228684342
Anderson extrapolation: theta=1.3722431994 (1.3722431994)
-931.39884202
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.310 s
total exchange = -52.3802656053 (a.u.)
total exchange computation time: 2.7027950287 s
-154.3310878703
Anderson extrapolation: theta=0.0588057744 (0.0588057744)
-931.39899115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.311 s
total exchange = -52.3801320304 (a.u.)
total exchange computation time: 2.7020401955 s
-154.3321195523
Anderson extrapolation: theta=2.0274898452 (2.0000000000)
-931.39899761
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.312 s
total exchange = -52.3798417662 (a.u.)
total exchange computation time: 2.7012829781 s
-154.3343112323
Anderson extrapolation: theta=0.2383489366 (0.2383489366)
-931.39900489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.312 s
total exchange = -52.3797670923 (a.u.)
total exchange computation time: 2.7002501488 s
-154.3348283369
Anderson extrapolation: theta=1.6628663948 (1.6628663948)
-931.39900634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.311 s
total exchange = -52.3796614850 (a.u.)
total exchange computation time: 2.7003960609 s
-154.3355019587
Anderson extrapolation: theta=0.3005046747 (0.3005046747)
-931.39900793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.312 s
total exchange = -52.3796492465 (a.u.)
total exchange computation time: 2.7063910961 s
-154.3355202615
Anderson extrapolation: theta=1.2852621078 (1.2852621078)
-931.39900834
-256.107990 122.187037 8.702296
565.938769 1066.898251 -419.331190
309.830779 1189.085288 -410.628893
1295.582889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1402920498
ExchangeOperator: bisection time: 3.309 s
total exchange = -52.3796485022 (a.u.)
total exchange computation time: 2.7013430595 s
678.87104496
-1084.08444260
89.89027564
-388.85769232
-174.83854584
78.47832315
551.60419304
0.00000000
-931.39900866
5.64789180 -31.16098294 -3.84719668
-0.00002533 -0.00011481 0.00021058
0.00425611 0.00367170 -0.02744417
-11.72306811 -1.03624224 -11.86670611
-0.00029753 0.00000663 -0.00000487
0.00519676 0.02572347 0.00147825
-38.05898729 2.32748824 3.44037847
0.00009113 -0.00002878 -0.00013993
0.00692966 -0.01713482 0.01108240
-9.40293564 -2.77700779 2.62233031
-0.00072277 -0.00001302 -0.00027826
0.02201570 -0.01205282 -0.01257839
0.59917059 -0.15407550 8.98703720
0.00016265 -0.00021285 0.00001213
-0.00718437 -0.00469526 -0.04260759
-32.39415291 2.74910818 1.91002736
-0.00012853 0.00012641 -0.00033094
0.01167596 -0.02979727 0.01392747
13.87034129 13.50015402 -14.29421464
0.00018888 0.00025553 -0.00022726
0.08760307 0.04354609 0.03833752
-3.88110708 7.06066238 4.23716549
-0.00036235 0.00007158 -0.00028252
0.02969790 0.01606952 -0.05529819
5.72183115 16.69270244 -8.58752593
0.00015065 0.00002651 0.00015840
-0.00800060 0.00584273 0.04282185
6.92042011 7.03293912 -21.03834724
-0.00035648 0.00040542 0.00002971
0.01712871 -0.00327804 -0.00814882
23.62517866 17.08804929 -2.40041255
-0.00048406 0.00000045 0.00037682
-0.00477416 0.00352341 0.00467349
1.33899500 12.79759515 -21.11966113
0.00003333 0.00011008 0.00013954
-0.00258362 -0.00731045 -0.00503178
10.29685764 -3.63547524 -1.80643726
0.00021848 0.00019888 0.00017008
-0.03503317 -0.03731026 0.02298283
-18.00582495 -2.62858291 4.61954626
0.00034419 -0.00000659 0.00017855
-0.02057114 -0.03348116 -0.01610116
-15.21295410 0.09188296 18.68314456
-0.00018889 0.00016779 -0.00019891
0.01202805 0.00535570 -0.00291169
2.80016670 2.71855733 -2.99052905
0.00003481 0.00007527 0.00017290
-0.01003669 0.00128190 0.00303831
23.37397100 -7.70499642 -9.54644936
0.00003629 -0.00025516 -0.00015519
-0.02796723 -0.00971502 -0.02121190
1.36053919 -8.03088598 6.64153533
0.00013797 0.00009142 0.00023373
-0.01977365 0.00370373 -0.01411025
-3.86541645 -1.36237431 -18.26044424
0.00017868 0.00041305 0.00015241
0.02244889 0.03523020 -0.01262843
3.40060378 4.23413664 -10.76663785
-0.00039478 0.00018885 0.00012212
-0.00972548 -0.01798150 0.01839908
-2.67931203 16.93831740 13.82518502
-0.00000587 -0.00021291 0.00004986
-0.00734824 -0.00135999 -0.02177570
-2.18997918 2.05012099 -7.05383326
-0.00020529 0.00020672 -0.00000747
0.00183846 -0.03657396 0.00799172
-6.64248859 -2.02516598 -4.36393247
0.00002989 -0.00003458 -0.00007714
0.04160942 0.01685155 0.01746250
0.33321568 28.16203153 7.22254095
0.00015724 0.00005947 0.00032252
-0.01063051 0.00190014 0.00766251
10.02680480 -9.10567275 -1.45279428
0.00004604 -0.00003887 0.00007054
-0.01812463 -0.00316710 -0.01036587
-6.81295746 0.31860246 7.57886057
-0.00002854 0.00007075 0.00010995
0.02738698 0.00831052 0.00359376
18.56112219 11.77478985 6.26950916
-0.00005965 -0.00011533 0.00013297
0.01513853 -0.01462432 0.01506404
-3.26685430 -3.98099068 -23.27309787
0.00004241 -0.00012749 -0.00021904
0.01257563 -0.02074953 -0.01635033
-13.65290574 8.24288065 8.18111733
-0.00000309 0.00005228 0.00031870
-0.00107026 0.00717088 -0.00049896
-11.89320246 7.60151306 -2.55571079
-0.00045842 -0.00038991 -0.00013194
0.01041018 0.02182547 0.01041310
-3.12467169 -16.18489698 20.39884426
-0.00044771 -0.00031992 0.00002012
-0.02484424 -0.01227200 0.00744402
-3.09942494 6.93577444 -8.01119786
-0.00035968 -0.00000312 0.00022643
0.00350541 -0.03286417 -0.03204123
-20.69529729 29.50378273 1.42575259
-0.00007907 0.00012506 -0.00013067
0.05047383 -0.01797687 -0.01564180
9.76108714 3.32581355 7.53027615
0.00009094 -0.00020106 0.00009640
0.02541890 -0.03888914 -0.01035617
6.35509851 14.33681159 -13.34203683
0.00002409 0.00022208 0.00049987
0.01621703 0.03166048 -0.03811209
14.16707485 3.85780982 -2.90518193
-0.00004374 -0.00027760 0.00000550
0.00722530 -0.00920913 0.05974725
-6.35900182 11.10152711 -0.53014003
0.00014801 0.00000915 0.00006081
0.00590286 0.00201030 0.00511265
6.03080167 13.06712448 3.18933249
0.00036997 0.00014843 -0.00007599
-0.02081689 0.01968566 0.00086254
21.86354922 -12.34036763 -11.48422302
0.00023760 0.00028030 -0.00030251
-0.00257171 0.00141250 -0.01019408
16.66945979 -6.32506306 3.35863244
0.00009807 0.00003464 -0.00004101
0.00367950 -0.02800352 -0.01800343
15.23966086 7.26427641 9.98622256
0.00016839 -0.00010571 -0.00020602
-0.01314475 0.01217574 0.01074208
3.12930878 -13.85061106 16.55850785
-0.00022715 -0.00002627 -0.00006035
-0.00254975 -0.02157475 -0.01646521
-3.56758589 -0.72637741 -10.72020546
-0.00004764 -0.00046348 -0.00000092
0.02501586 0.00627773 -0.02564668
15.28118377 -7.97172588 -9.49914081
0.00021920 0.00005497 -0.00028182
0.00039855 0.00417625 0.04496945
8.74191927 -3.24734941 6.32119251
0.00024917 -0.00037440 0.00005719
-0.01437541 -0.00788344 0.02201847
-21.33995477 1.61527310 24.57296377
-0.00028652 -0.00001693 -0.00015172
-0.00989403 -0.00850639 -0.00172059
24.92793524 -1.70098811 -6.44836120
-0.00006662 -0.00004436 -0.00010518
-0.00684952 0.01161565 0.00420518
11.59174492 -11.81266778 -9.98514553
0.00015328 -0.00010980 -0.00009072
-0.00156496 -0.00534462 -0.02628868
-4.87165360 -10.23170903 16.65928721
-0.00008711 0.00000004 -0.00014447
0.03291653 -0.02390146 0.06065460
8.01637712 2.13108516 -30.36564430
0.00032235 0.00050488 -0.00037857
-0.01320769 -0.00927957 -0.01704759
10.81816693 17.34373662 14.84244102
0.00005541 -0.00039005 -0.00017251
0.01553622 -0.01320175 -0.00141294
30.67163741 7.28945701 -7.70039708
-0.00017142 0.00000079 0.00006474
0.05704963 -0.02227116 -0.00665466
5.73813881 -30.06019574 -5.35094287
-0.00038351 -0.00030374 0.00077131
0.00607194 -0.00958567 0.00772566
4.09846119 -30.61268336 -3.13824025
-0.00017329 -0.00078340 -0.00054057
-0.01950941 0.00839815 0.01539882
-12.30507489 -2.38884396 -13.02466186
0.00000769 0.00055993 -0.00052510
-0.00219240 0.01508461 -0.00680618
-11.83442637 0.65160569 -12.81041426
0.00069742 0.00029179 0.00035416
-0.00302008 -0.03253567 0.01259200
-38.01767777 3.51711420 2.08747856
0.00107885 0.00097143 -0.00039846
-0.00734653 0.01557290 -0.01035304
-39.61485977 1.35545405 3.29716045
-0.00026426 0.00020446 0.00055175
0.00209045 0.00683757 -0.00154887
-10.07972809 -2.99454016 0.85323223
0.00085675 -0.00036237 -0.00054105
0.00562273 -0.00519514 0.01599861
-7.84576296 -3.93870182 2.79544988
0.00041371 0.00020686 0.00136730
-0.03850561 0.02410725 -0.00465303
0.08686050 -0.16471221 7.16586778
0.00051374 -0.00015638 0.00079307
0.00540516 -0.00403657 0.03097578
2.01462017 0.97444081 8.93915196
-0.00008806 0.00031092 -0.00079885
0.00835394 0.00795216 0.00766056
-31.79093720 0.95285772 2.23838865
-0.00091044 -0.00014481 0.00115112
-0.00845906 0.02294390 -0.00722810
-34.17892104 2.64665591 2.31350908
0.00083020 0.00083977 -0.00010607
0.00113185 -0.00061717 -0.00424503
12.56458762 12.83266576 -15.15951723
0.00006724 -0.00010153 0.00003770
-0.04798971 -0.03197414 -0.04706773
15.57982013 13.32126031 -15.12527955
0.00041798 -0.00027656 -0.00029323
-0.03960131 -0.00907705 0.01209223
-3.84278298 8.93425523 4.52949385
-0.00014670 -0.00002378 0.00022545
-0.00490458 -0.01790928 0.01127507
-2.88509609 6.96769021 2.53063151
-0.00099166 -0.00006010 -0.00087942
-0.02719243 -0.00685760 0.04577559
5.69953135 16.46120428 -10.33639129
0.00027476 -0.00050457 0.00053537
0.00394639 -0.01066343 -0.03991325
7.47653091 16.95450231 -8.12620674
0.00002312 -0.00010722 0.00044012
0.01090537 0.00052271 0.00007791
8.00779706 7.22236031 -22.60385789
0.00064980 -0.00002806 -0.00014441
-0.01125624 -0.00209143 0.01412260
8.18334305 7.37177076 -19.72589117
0.00005146 0.00030748 0.00001637
-0.00792988 0.00308414 -0.00588338
21.93788519 17.81418315 -1.99627577
-0.00021068 0.00050436 -0.00088285
0.00649381 -0.00890584 -0.00162699
24.43004098 18.38650748 -3.41322589
0.00071347 -0.00031629 -0.00006821
-0.00015490 -0.00047150 -0.00318966
0.98002353 11.09883089 -21.82766174
0.00102019 0.00031809 0.00102006
0.00284393 0.01769662 0.00705393
1.02869883 14.16890547 -22.31889729
-0.00074323 0.00029172 0.00059989
0.00068315 -0.01043326 -0.00191680
9.92731213 -5.56159903 -1.51657882
-0.00043056 -0.00035356 0.00005199
0.01251968 0.04830925 -0.00854547
8.65483531 -2.74029385 -1.48337788
0.00069868 0.00072568 -0.00145249
0.02771968 -0.01458872 -0.01413478
-19.03940332 -4.14374246 4.98915298
0.00042406 -0.00017597 -0.00001046
0.00469044 0.01971735 0.00710807
-17.44855812 -3.16731620 2.93540679
0.00049804 0.00000829 0.00069070
0.00258553 0.01175113 0.00920763
-15.19910770 -0.04777202 16.83218777
-0.00070099 0.00041259 -0.00003685
0.00132131 0.00113992 0.01091453
-14.02784689 1.47948924 18.95791955
0.00038471 -0.00093149 -0.00004819
-0.00698572 -0.01016052 -0.00032737
3.12391836 3.56260068 -4.57148605
0.00040842 -0.00078063 0.00017408
-0.00331200 0.00407797 0.00379332
3.99539470 1.29896033 -3.01976467
-0.00150960 -0.00038369 -0.00097213
-0.00033093 0.00695851 0.00004958
22.92804168 -9.37129116 -10.19247851
-0.00016908 0.00024539 0.00012598
-0.00458490 -0.00391912 -0.00683311
24.92983369 -7.93995544 -8.77732116
-0.00002137 -0.00002731 0.00041210
0.03675323 0.00259100 0.02105539
2.00803525 -8.18677241 4.95994982
0.00089546 -0.00095883 0.00009462
-0.00160916 -0.01020902 -0.01064378
2.76248046 -7.34602992 7.50470117
-0.00026530 -0.00080156 0.00102711
0.01963192 0.00394104 0.02325665
-4.23497451 -2.94994002 -17.57795929
0.00041925 0.00056567 0.00033148
-0.00689870 -0.03043605 0.01321287
-4.78403274 -0.20062869 -17.13733896
-0.00004031 -0.00017665 0.00103393
-0.00687879 -0.00828282 -0.00488773
2.27349063 4.86625876 -12.02593140
0.00020535 -0.00079821 0.00011724
-0.00217492 0.01508921 -0.02264237
2.09457674 3.47442246 -9.71574738
0.00040652 0.00004972 0.00095283
0.00669332 0.00203576 0.00755484
-1.25139968 15.76929513 13.54311548
0.00101394 0.00116780 0.00006278
0.00631722 0.00095573 -0.01342181
-2.53797804 17.05965249 15.57745754
0.00089197 -0.00015389 0.00058064
-0.00761297 0.00927985 0.03792709
-1.77466302 0.84299933 -5.69304190
0.00064231 0.00002186 0.00036044
-0.00645606 0.01874631 -0.01164564
-3.04121357 0.87030732 -8.35982401
0.00026217 -0.00064274 -0.00101943
0.00904243 0.02106475 0.01438343
-7.92741590 -2.88053198 -5.16394396
-0.00080204 0.00014546 -0.00021653
-0.04102125 -0.02911983 -0.01975956
-7.27520987 -0.34858708 -4.16144406
-0.00065747 -0.00056612 -0.00000172
-0.00206727 0.01446810 0.00412295
1.40882318 28.64528973 5.86888029
0.00067948 -0.00012169 -0.00067380
0.01636309 0.00122617 -0.01306726
-1.30267551 28.35189413 6.35847184
-0.00153806 0.00076669 0.00033915
-0.00524731 -0.00381522 0.00371444
8.23289567 -9.19723633 -2.03585235
-0.00003205 0.00008818 -0.00028017
0.01600614 0.00544769 -0.00402755
9.90856496 -9.87368002 0.19291544
0.00000931 -0.00044885 -0.00091532
0.00866555 0.00103723 0.01207603
-5.45679197 -0.19825800 8.82997105
-0.00035747 0.00096766 -0.00025430
-0.02962994 0.00654468 -0.00348343
-8.36793007 -0.52222009 7.99249290
-0.00060864 0.00070870 0.00002450
-0.00107171 -0.00599406 0.00829405
19.92500847 11.41001761 7.49577888
0.00106455 -0.00023243 0.00032771
-0.01597268 -0.00127863 0.00368797
19.52431584 12.79953040 5.17103793
0.00052117 0.00045110 0.00075760
0.00801786 0.02025925 -0.01708624
-3.46765324 -3.04818778 -21.77877748
0.00047934 0.00185699 -0.00018384
-0.00540784 0.02409867 0.02433488
-4.51817938 -3.36525083 -24.46871938
-0.00038695 0.00067466 0.00125985
-0.01004612 0.00442777 -0.00406185
-12.55070448 9.14151173 9.34220636
0.00046534 0.00056407 -0.00035176
-0.00147460 -0.00306412 0.01104451
-13.11136787 8.99634480 6.59927816
0.00002595 -0.00048955 0.00022252
-0.00103287 -0.00095387 -0.00545858
-12.63096345 7.38098294 -4.20011225
0.00018878 0.00014873 -0.00057737
-0.00345923 0.00179189 -0.01625296
-11.42082446 9.42600635 -2.40435803
0.00025339 0.00036459 -0.00029815
-0.00786682 -0.02058308 -0.00398860
-4.73764538 -17.17935829 20.27704940
0.00067113 0.00011397 0.00015099
0.01897226 0.01475441 -0.00575601
-1.84890267 -17.39306157 19.96178013
-0.00042741 0.00094208 -0.00025720
0.00437098 -0.00245127 -0.00513067
-3.37726077 5.54092445 -6.87788447
-0.00102317 0.00024872 0.00037314
0.00560833 -0.01062363 -0.00278081
-3.49791544 8.34349555 -7.07671651
0.00017199 -0.00066280 -0.00013138
-0.01423446 0.05115658 0.03335414
-20.94350772 28.45850984 -0.09040744
-0.00039858 -0.00045835 0.00019814
-0.00469081 0.00922659 0.01342138
-18.77473125 29.14108637 1.60179605
0.00018236 0.00002282 0.00040643
-0.04000993 0.01792861 -0.00060779
8.88990287 2.67044472 6.07614443
0.00011773 -0.00110908 -0.00118128
-0.01079216 -0.00690495 -0.00405944
8.98024736 4.88732722 7.79764359
0.00043658 0.00004277 0.00010895
-0.01655426 0.04444078 0.01637341
7.00607454 14.54597099 -15.13924045
-0.00002785 0.00058117 0.00071792
-0.01281161 -0.00646202 0.03768824
5.90624612 12.62163232 -13.18282752
0.00119348 0.00152292 -0.00033664
-0.00239166 -0.02424123 -0.00148227
13.28111387 5.25247571 -3.56077695
-0.00028034 0.00038980 0.00063418
-0.01286319 0.02236138 -0.01892242
13.64445878 4.13000822 -1.05456710
-0.00036511 0.00009748 0.00046694
0.00645055 -0.02025570 -0.03725322
-5.62161263 9.63502963 0.26905687
0.00084635 -0.00086968 0.00026881
-0.00072267 -0.00035282 -0.00441323
-7.84671241 11.45304623 0.47173872
-0.00095143 -0.00163853 -0.00072328
-0.00550669 -0.00418023 -0.00086605
4.50113203 12.75858474 2.16247817
0.00015595 -0.00026471 -0.00014908
0.01028725 -0.00200840 0.00557991
7.25323909 11.81773861 2.81295235
-0.00088415 0.00141698 -0.00071614
0.01088240 -0.01499640 -0.00165444
20.34994396 -12.96718223 -10.66206956
-0.00034270 0.00011081 0.00074657
0.00529520 -0.00489591 0.00277348
22.25327351 -13.62159436 -12.78606217
-0.00061138 -0.00065564 -0.00078741
0.00003762 0.00406641 0.00728638
17.78192532 -6.45200341 1.89093125
0.00046412 0.00084468 0.00150686
-0.00135502 0.01155245 -0.00091927
15.92005568 -8.01960256 3.18847668
0.00042693 -0.00093288 0.00014804
-0.00346070 0.01663501 0.01048856
13.97843259 8.50250492 10.71252302
-0.00015056 -0.00024223 0.00051331
0.01872186 -0.01885725 -0.00930939
16.36634037 6.87127225 11.40098913
0.00042486 -0.00055903 -0.00093008
-0.00504057 0.00127487 -0.00626002
2.92021438 -13.54295866 14.74017297
-0.00049861 0.00140702 0.00014949
-0.00061840 0.00678563 0.02100166
3.89006378 -12.47884989 17.45516530
-0.00083072 0.00038831 -0.00106144
0.00315720 0.01408793 -0.00809417
-3.28701996 -2.45305608 -10.18128839
-0.00021685 -0.00007391 -0.00051465
-0.00407076 -0.01304549 0.00933177
-1.85449572 -0.35597039 -11.57122759
0.00044159 -0.00017687 -0.00016010
-0.02509071 -0.00083543 0.01031351
14.87802081 -7.69413800 -11.19714977
-0.00009826 0.00026139 0.00068475
-0.01028931 0.00200992 -0.04184750
16.71196517 -6.89030776 -9.02174689
0.00061308 0.00009489 0.00116311
0.00154662 -0.00225233 -0.00312312
6.89723855 -2.78959933 6.26308900
0.00040958 -0.00011558 -0.00024088
0.03301235 -0.00268734 -0.02049786
9.81897186 -2.84031430 4.89893985
0.00109196 -0.00073062 -0.00035422
-0.00711428 0.00020422 -0.00593450
-21.85060421 1.67202753 22.80982443
0.00050068 -0.00102487 0.00030324
0.00682136 0.00066574 0.00586515
-22.59882303 0.50985361 25.35084628
-0.00008488 0.00047005 -0.00026991
0.00300499 0.00388212 -0.00769456
25.44874883 -3.00390399 -7.58919057
0.00030356 0.00005327 -0.00041031
0.00908143 -0.01159363 -0.00933180
23.67628120 -0.71511703 -7.33770509
-0.00007434 0.00072095 0.00076249
0.00000991 -0.00177727 0.00286720
10.96174259 -12.67397530 -8.54412724
0.00124839 -0.00055604 0.00038363
-0.01014243 -0.00982398 0.01284197
12.59354085 -10.40646237 -9.52149482
-0.00003770 0.00059564 0.00068898
0.01350156 0.01621778 0.00632134
-5.52858947 -10.46219966 18.43316818
0.00081556 -0.00009255 0.00038446
0.00992435 0.00291176 -0.02755736
-6.20565584 -9.71721297 15.67121922
0.00035168 -0.00021877 -0.00093029
-0.03738041 0.01364745 -0.02987461
8.65351034 0.88299613 -31.60433209
0.00014935 0.00035139 -0.00072358
0.00555426 0.00503052 0.00520026
6.33591812 2.47512924 -31.05318740
0.00060485 -0.00016924 -0.00042032
0.00547549 -0.00014397 0.00083189
11.24555536 18.57709149 13.58521080
0.00070456 -0.00148766 0.00006378
-0.00193674 0.01148778 -0.00959314
12.15655053 16.07748669 14.56384632
-0.00041389 -0.00037550 0.00012195
-0.01117565 0.00454481 0.00038850
30.44105976 5.54353370 -8.25139079
0.00048684 -0.00028500 0.00030005
0.00513499 0.00049696 0.00254056
29.13291961 7.89385685 -7.22483217
0.00076611 -0.00034461 -0.00027900
-0.06175133 0.01917985 0.01538719
-8.39087575 4.95255268 5.66550777
-0.00010171 -0.00019328 -0.00009825
0.00622337 0.00402988 0.00937860
-10.77146997 10.12965692 3.48661650
0.00004205 0.00004629 -0.00014260
0.00198272 -0.00193775 0.00025696
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08149000
0.31751866
423.07769479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.849 s
total exchange = -52.3803079914 (a.u.)
total exchange computation time: 2.7167468071 s
-154.3219818101
-931.39576951
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.853 s
total exchange = -52.3796671466 (a.u.)
total exchange computation time: 2.7139208317 s
-154.3279295639
Anderson extrapolation: theta=1.3901127950 (1.3901127950)
-931.39602990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.850 s
total exchange = -52.3787170718 (a.u.)
total exchange computation time: 2.7146539688 s
-154.3366619289
Anderson extrapolation: theta=0.0665364227 (0.0665364227)
-931.39619420
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.848 s
total exchange = -52.3786116576 (a.u.)
total exchange computation time: 2.7139561176 s
-154.3376492993
Anderson extrapolation: theta=2.1983868798 (2.0000000000)
-931.39620286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.850 s
total exchange = -52.3783999839 (a.u.)
total exchange computation time: 2.7147450447 s
-154.3396450295
Anderson extrapolation: theta=0.3296538246 (0.3296538246)
-931.39621361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.850 s
total exchange = -52.3783446903 (a.u.)
total exchange computation time: 2.7141499519 s
-154.3401869319
Anderson extrapolation: theta=1.1622732652 (1.1622732652)
-931.39621614
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.854 s
total exchange = -52.3783072102 (a.u.)
total exchange computation time: 2.7147929668 s
-154.3405859868
Anderson extrapolation: theta=0.4155569678 (0.4155569678)
-931.39621820
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.848 s
total exchange = -52.3783165522 (a.u.)
total exchange computation time: 2.7157378197 s
-154.3405362682
Anderson extrapolation: theta=0.9040845826 (0.9040845826)
-931.39621888
-256.069848 122.175474 8.661879
565.984282 1066.904050 -419.299480
309.914434 1189.079524 -410.637601
1295.600367
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1401189832
ExchangeOperator: bisection time: 3.851 s
total exchange = -52.3783420319 (a.u.)
total exchange computation time: 2.7513070107 s
678.86070608
-1084.06338132
89.89238024
-388.87038728
-174.83719496
78.46995786
551.60419304
0.00000000
-931.39621927
5.64752820 -31.16269093 -3.84414378
-0.00002271 -0.00011358 0.00019694
0.00593504 0.00109759 -0.02562463
-11.72751107 -1.03604350 -11.86677345
-0.00029462 0.00002014 -0.00000387
0.00612489 0.02680074 0.00240095
-38.05759360 2.32699038 3.43832220
0.00009481 -0.00003651 -0.00013535
0.00738018 -0.01292216 0.00675407
-9.41369226 -2.77724964 2.61810784
-0.00071032 -0.00001966 -0.00028393
0.02638851 -0.01374420 -0.00943935
0.60158269 -0.15728634 8.98705474
0.00015973 -0.00021491 -0.00000856
-0.00420407 -0.00331983 -0.03784977
-32.39603579 2.75088933 1.90511694
-0.00012083 0.00011080 -0.00032387
0.01825453 -0.03089165 0.01356119
13.87351245 13.50415490 -14.29747567
0.00023348 0.00027762 -0.00020812
0.08581447 0.04236238 0.03610720
-3.88642780 7.06179805 4.23271436
-0.00034711 0.00007964 -0.00031095
0.02957175 0.01527259 -0.05525674
5.72406010 16.69312269 -8.58498479
0.00014637 0.00002964 0.00018091
-0.00865354 0.00632751 0.04472274
6.91513903 7.03900785 -21.03793301
-0.00034676 0.00040377 0.00002521
0.02065572 -0.00315317 -0.00935556
23.61789929 17.08806956 -2.39474217
-0.00048548 0.00000280 0.00037845
-0.00075152 0.00562605 0.00166186
1.33948501 12.79921818 -21.11758739
0.00003239 0.00010738 0.00013772
-0.00106677 -0.00319277 -0.00205039
10.29999963 -3.63263601 -1.80379741
0.00020103 0.00017878 0.00018157
-0.03279857 -0.04082859 0.02169788
-18.00074144 -2.62881084 4.62216234
0.00033341 -0.00002368 0.00017102
-0.02134220 -0.03298783 -0.01315141
-15.21574110 0.09442046 18.68014964
-0.00018319 0.00016983 -0.00020030
0.01015274 0.00255920 -0.00246823
2.80065011 2.71969135 -2.98792376
0.00002902 0.00007625 0.00017477
-0.01245860 0.00253008 0.00422028
23.37440751 -7.70886135 -9.54885896
0.00002274 -0.00025925 -0.00016544
-0.02472525 -0.00616032 -0.01867912
1.36253248 -8.02950033 6.64498683
0.00012769 0.00009302 0.00022522
-0.02021699 0.00250706 -0.01895822
-3.86264961 -1.35604271 -18.25820678
0.00018988 0.00043143 0.00014627
0.02108559 0.03623965 -0.01123380
3.39464456 4.23689999 -10.76473505
-0.00039863 0.00017906 0.00013262
-0.00524732 -0.02007048 0.02242770
-2.67942848 16.93511856 13.82584890
-0.00000954 -0.00021337 0.00004042
-0.00691961 -0.00044884 -0.01493374
-2.19305149 2.05308066 -7.05391451
-0.00020435 0.00018686 -0.00000341
0.00181337 -0.04063003 0.00780143
-6.64187975 -2.02561973 -4.36502222
0.00004987 -0.00002718 -0.00006914
0.03607703 0.01193940 0.01364905
0.33553325 28.16293093 7.22740830
0.00015086 0.00006126 0.00032391
-0.01417780 0.00505748 -0.00224806
10.02742554 -9.10626802 -1.45177613
0.00003658 -0.00003993 0.00006380
-0.01867556 -0.00095931 -0.01586041
-6.81327991 0.31969579 7.58052364
-0.00001547 0.00007528 0.00011109
0.02345316 0.00930290 0.00083681
18.56028590 11.77300343 6.27156184
-0.00005025 -0.00012276 0.00014122
0.02141312 -0.01426437 0.01700575
-3.26616957 -3.98298304 -23.27644653
0.00004870 -0.00013669 -0.00022474
0.01188117 -0.01504004 -0.00581394
-13.65295623 8.24369254 8.18589584
-0.00000345 0.00005606 0.00031869
-0.00032202 0.00750122 0.00046765
-11.90003853 7.59574862 -2.55764966
-0.00045277 -0.00037740 -0.00012667
0.01156091 0.02683277 0.01005838
-3.13148310 -16.18974318 20.39917480
-0.00045999 -0.00032422 0.00002450
-0.02292578 -0.00444476 0.00956829
-3.10480665 6.93560080 -8.00792501
-0.00035748 -0.00002162 0.00020903
0.00505790 -0.03906205 -0.03563413
-20.69628871 29.50558928 1.42373216
-0.00005295 0.00011574 -0.00013861
0.05112783 -0.01827177 -0.01523595
9.76254921 3.32264767 7.53168228
0.00010287 -0.00022179 0.00008918
0.02100191 -0.04172991 -0.01775303
6.35552247 14.34026494 -13.33468576
0.00003320 0.00024180 0.00048004
0.01917666 0.04503270 -0.03899938
14.16644660 3.85361026 -2.90486898
-0.00004086 -0.00028126 0.00003639
0.00398304 -0.00501603 0.06038136
-6.35675889 11.10167217 -0.52920812
0.00015169 0.00000855 0.00006443
0.00838620 -0.00436615 0.00896884
6.03627098 13.06942682 3.18819594
0.00035632 0.00016078 -0.00007514
-0.03227636 0.02833954 0.00245239
21.86710327 -12.33615770 -11.48880004
0.00023487 0.00027957 -0.00030770
-0.00802726 -0.00422794 -0.00995693
16.67094502 -6.32465155 3.35794784
0.00009831 0.00001944 -0.00004858
-0.00274772 -0.03109694 -0.01143900
15.24213608 7.26273771 9.98317363
0.00016101 -0.00009915 -0.00020080
-0.01557693 0.01333922 0.00957388
3.12589164 -13.85108838 16.55753913
-0.00022871 -0.00003752 -0.00006950
-0.00348961 -0.02214613 -0.01913050
-3.56820396 -0.73330543 -10.72031813
-0.00003434 -0.00045905 -0.00001456
0.02669203 0.01094043 -0.02739615
15.28447334 -7.97088519 -9.50319462
0.00022051 0.00005725 -0.00025645
0.00468544 0.00468973 0.05367080
8.74560141 -3.25299577 6.32213528
0.00024287 -0.00037817 0.00006750
-0.01012627 -0.00678978 0.01808731
-21.34429074 1.61498630 24.57068132
-0.00029070 -0.00002087 -0.00015174
-0.00636832 -0.00680571 0.00165638
24.92690950 -1.70160869 -6.44992261
-0.00006989 -0.00003873 -0.00010308
-0.00587334 0.01026736 0.00394449
11.59403810 -11.81433541 -9.98660772
0.00015317 -0.00011160 -0.00010324
0.00111475 -0.00165179 -0.02239087
-4.87283333 -10.23180060 16.65735418
-0.00007016 -0.00001220 -0.00011336
0.03300809 -0.02368911 0.06029651
8.02116136 2.13862259 -30.37138855
0.00031623 0.00049961 -0.00038747
-0.01059229 -0.01123081 -0.01755898
10.81905798 17.33783491 14.83984793
0.00006270 -0.00039740 -0.00017219
0.01283265 -0.01537464 0.00266890
30.66928615 7.28938289 -7.69945166
-0.00013959 -0.00001174 0.00006059
0.06673798 -0.02642315 -0.00948512
5.73257227 -30.06504562 -5.33913651
-0.00035690 -0.00033813 0.00079559
0.00695085 -0.00724533 0.00416198
4.09526402 -30.62417699 -3.14587693
-0.00025813 -0.00074831 -0.00047414
-0.02202084 0.00877602 0.01711998
-12.30502665 -2.37998271 -13.03274692
-0.00000242 0.00061912 -0.00055434
-0.00275754 0.01388627 -0.00750516
-11.82405757 0.65498557 -12.80471598
0.00068396 0.00015937 0.00040489
-0.00357101 -0.03228338 0.01224077
-38.00172018 3.53216286 2.08118440
0.00104647 0.00102455 -0.00042998
-0.00850314 0.01042774 -0.00507436
-39.61875958 1.35873054 3.30538924
-0.00025418 0.00023448 0.00054352
0.00284244 0.00785451 -0.00248073
-10.06670458 -3.00013492 0.84560676
0.00087746 -0.00038365 -0.00047836
0.00451387 -0.00521955 0.01468524
-7.84073724 -3.93486020 2.81581678
0.00025000 0.00030861 0.00134564
-0.04162928 0.02569771 -0.00594702
0.09473223 -0.16718154 7.17871303
0.00053110 -0.00017422 0.00090781
0.00309408 -0.00469965 0.02519047
2.01355529 0.97934834 8.92740398
-0.00005575 0.00034176 -0.00076546
0.00746071 0.00714495 0.00868320
-31.80485307 0.95138860 2.25543391
-0.00094398 -0.00004956 0.00111937
-0.00795473 0.02368192 -0.00831356
-34.16643329 2.65923353 2.31178794
0.00082046 0.00083747 -0.00012076
-0.00590074 -0.00050588 -0.00294665
12.56412562 12.83016299 -15.16039400
-0.00012362 -0.00023007 -0.00015097
-0.04543557 -0.03094764 -0.04528913
15.58487634 13.31683372 -15.12930749
0.00025439 -0.00031313 -0.00024244
-0.04047773 -0.00882114 0.01276950
-3.84513382 8.93334976 4.53322113
-0.00016645 -0.00009571 0.00027066
-0.00476334 -0.01730010 0.01085390
-2.90080421 6.96657854 2.51884296
-0.00110205 -0.00008744 -0.00069091
-0.02684486 -0.00652688 0.04649925
5.70377367 16.45330896 -10.32958384
0.00029109 -0.00054801 0.00037122
0.00404883 -0.01060197 -0.04043711
7.47721186 16.95291010 -8.11960262
0.00006816 -0.00010489 0.00044047
0.01114301 0.00061426 0.00009806
8.01719920 7.22187538 -22.60559123
0.00059950 -0.00003691 -0.00008334
-0.01336942 -0.00224462 0.01576835
8.18387200 7.37647754 -19.72582584
0.00001659 0.00031990 -0.00000890
-0.00914161 0.00299139 -0.00648635
21.93492397 17.82147563 -2.00956838
-0.00018765 0.00046938 -0.00088819
0.00477738 -0.00821824 -0.00098772
24.44073821 18.38174863 -3.41434679
0.00070861 -0.00032392 -0.00007636
-0.00222213 -0.00325949 -0.00079845
0.99541353 11.10414457 -21.81214474
0.00102871 0.00038187 0.00104381
0.00132457 0.01352017 0.00457587
1.01757125 14.17296163 -22.30995766
-0.00074023 0.00024869 0.00059097
0.00078675 -0.01063149 -0.00245163
9.92123735 -5.56542202 -1.51606081
-0.00037831 -0.00015130 0.00001685
0.01305592 0.05069807 -0.00865859
8.66616489 -2.72985576 -1.50559830
0.00080614 0.00066813 -0.00150800
0.02488307 -0.01358217 -0.01303798
-19.03289871 -4.14577778 4.98921393
0.00044304 -0.00009533 0.00001912
0.00460146 0.01975428 0.00736933
-17.44100833 -3.16683174 2.94604945
0.00051079 0.00005496 0.00072216
0.00365615 0.01109545 0.00619029
-15.20958205 -0.04154828 16.83196948
-0.00069501 0.00041681 0.00000520
0.00160386 0.00092912 0.00967017
-14.02229024 1.46520560 18.95718670
0.00036012 -0.00096752 -0.00004863
-0.00505291 -0.00747947 0.00010858
3.12994311 3.55101623 -4.56875863
0.00039465 -0.00075967 0.00018489
-0.00342553 0.00617893 0.00150085
3.97274054 1.29341821 -3.03434507
-0.00150584 -0.00036191 -0.00096920
0.00217353 0.00370067 0.00138282
22.92536491 -9.36773044 -10.19079819
-0.00018902 0.00022272 0.00009575
-0.00517289 -0.00717744 -0.00796476
24.93063944 -7.94028575 -8.77049450
0.00012380 -0.00001655 0.00049541
0.03430489 0.00268019 0.01972529
2.02141779 -8.20146773 4.96104300
0.00088667 -0.00099898 0.00005975
-0.00268995 -0.00944207 -0.00642736
2.75910252 -7.35793252 7.52082042
-0.00018215 -0.00078410 0.00112297
0.02107103 0.00460468 0.02366805
-4.22889711 -2.94238765 -17.57258215
0.00039183 0.00043947 0.00038495
-0.00652452 -0.03133876 0.01295743
-4.78484815 -0.20353224 -17.12197978
-0.00006680 -0.00021079 0.00101105
-0.00608713 -0.00842924 -0.00630997
2.27650428 4.85474804 -12.02486661
0.00018861 -0.00073315 0.00001804
-0.00601986 0.01675608 -0.02591742
2.10087958 3.47523069 -9.70122342
0.00043280 0.00005899 0.00098231
0.00617059 0.00249885 0.00687740
-1.23599695 15.78684144 13.54364588
0.00103976 0.00116954 0.00000650
0.00631813 -0.00010298 -0.01412532
-2.52483177 17.05762852 15.58732930
0.00085930 -0.00011660 0.00072290
-0.00837756 0.00897427 0.03171226
-1.76522621 0.84390170 -5.68799219
0.00061318 0.00010242 0.00030711
-0.00780262 0.02068517 -0.01446105
-3.03700399 0.86131165 -8.37467466
0.00030143 -0.00055327 -0.00095479
0.01017698 0.02273508 0.01725413
-7.94070344 -2.87924245 -5.16779738
-0.00095823 0.00003237 -0.00029030
-0.03543725 -0.02623670 -0.01635157
-7.28513525 -0.35663554 -4.16134354
-0.00066613 -0.00050249 0.00001623
-0.00217156 0.01668093 0.00466355
1.41951684 28.64350197 5.85837283
0.00073334 -0.00012125 -0.00071461
0.01000168 -0.00101375 -0.00690944
-1.32590727 28.36327762 6.36367291
-0.00154069 0.00074942 0.00036031
0.00396027 -0.00463959 0.00664384
8.23290542 -9.19574674 -2.04017828
0.00003482 0.00011030 -0.00029585
0.01672638 0.00538122 -0.00364699
9.90897014 -9.88038091 0.17955566
0.00004401 -0.00044910 -0.00085556
0.00832151 -0.00116137 0.01717647
-5.46306202 -0.18354263 8.82604978
-0.00047395 0.00099102 -0.00026293
-0.02738527 0.00489409 -0.00073840
-8.37709248 -0.51177320 7.99311457
-0.00060942 0.00068516 0.00005858
0.00069103 -0.00553093 0.00838633
19.94048727 11.40649195 7.50080758
0.00099025 -0.00023606 0.00033650
-0.02039649 -0.00049670 0.00061184
19.53237902 12.80691766 5.18187829
0.00055044 0.00053106 0.00069035
0.00631245 0.01888175 -0.01583049
-3.46062885 -3.01959442 -21.78078935
0.00046150 0.00194358 -0.00009957
-0.00332639 0.01828408 0.01691450
-4.52429147 -3.35499527 -24.44994605
-0.00043112 0.00069246 0.00123695
-0.01157431 0.00428399 -0.00714792
-12.54376961 9.14987894 9.33726841
0.00045794 0.00055027 -0.00030666
-0.00214658 -0.00369204 0.01103075
-13.11101032 8.98897238 6.60244877
0.00002163 -0.00049293 0.00019792
-0.00107908 -0.00070279 -0.00658433
-12.62823782 7.38326881 -4.20927077
0.00017460 0.00015539 -0.00064250
-0.00347851 0.00146884 -0.01563113
-11.41726471 9.43084453 -2.40895253
0.00021853 0.00027098 -0.00031448
-0.00919501 -0.02524095 -0.00400601
-4.72699699 -17.17719668 20.27913790
0.00073602 0.00016635 0.00012663
0.01278883 0.01088752 -0.00616864
-1.85517981 -17.37900554 19.95776490
-0.00040082 0.00092392 -0.00028124
0.00864063 -0.00643756 -0.00663876
-3.39243641 5.54432977 -6.87237256
-0.00099989 0.00020462 0.00036095
0.00578663 -0.01096709 -0.00318483
-3.49577181 8.33512110 -7.07766518
0.00011066 -0.00044042 0.00001266
-0.01578561 0.05770361 0.03715518
-20.94963013 28.45191739 -0.08702405
-0.00041637 -0.00041983 0.00025406
-0.00402033 0.00962567 0.01394918
-18.77322192 29.14197804 1.60787384
0.00001662 0.00009600 0.00040212
-0.04111855 0.01789285 -0.00150001
8.89133812 2.65359694 6.05830091
0.00008185 -0.00112771 -0.00118071
-0.00676934 -0.00221586 0.00433732
8.98628880 4.88933056 7.79977953
0.00036936 0.00022080 0.00017369
-0.01635112 0.04270464 0.01532027
7.00526425 14.55449059 -15.12731675
-0.00007856 0.00055651 0.00086941
-0.01201324 -0.00561034 0.03646714
5.92407496 12.64373330 -13.18792257
0.00117615 0.00139422 -0.00033895
-0.00608966 -0.03876024 0.00035118
13.27651467 5.25900786 -3.55184405
-0.00032859 0.00047433 0.00055928
-0.01075745 0.01902094 -0.01774230
13.63917985 4.13084970 -1.04870459
-0.00033662 0.00001287 0.00031078
0.00749351 -0.02115816 -0.03918910
-5.60893949 9.62197369 0.27295378
0.00083643 -0.00085765 0.00024374
-0.00413296 0.00624015 -0.00785880
-7.86115266 11.42834014 0.46086291
-0.00097160 -0.00165579 -0.00072740
-0.00436529 -0.00426496 -0.00115093
4.50378649 12.75455252 2.16041292
0.00019991 -0.00027042 -0.00012398
0.01123384 -0.00078777 0.00670758
7.24031032 11.83853384 2.80215962
-0.00081878 0.00133585 -0.00072846
0.02111784 -0.02471835 -0.00437631
20.34496573 -12.96567010 -10.65078598
-0.00030894 0.00009587 0.00075088
0.01123138 -0.00241677 -0.00066333
22.24410397 -13.63130429 -12.79765010
-0.00061201 -0.00063306 -0.00075116
-0.00034388 0.00698244 0.01046171
17.78884564 -6.43897915 1.91350600
0.00046699 0.00088993 0.00149053
0.00275777 0.01059549 -0.00707389
15.92635354 -8.03308598 3.19101869
0.00041710 -0.00085590 0.00018998
-0.00134910 0.02104732 0.01004100
13.97674783 8.49829367 10.71993745
-0.00007144 -0.00032095 0.00047387
0.02001203 -0.01967974 -0.00999581
16.37255882 6.86292580 11.38684615
0.00040634 -0.00055418 -0.00095189
-0.00402497 0.00110248 -0.00441600
2.91271632 -13.52164547 14.74305889
-0.00050204 0.00143160 0.00023471
-0.00106351 0.00524624 0.02071381
3.87769980 -12.47259348 17.43899569
-0.00081495 0.00044978 -0.00108836
0.00456151 0.01599853 -0.00508429
-3.29039744 -2.45456448 -10.18872225
-0.00023237 -0.00013427 -0.00047403
-0.00352752 -0.01649956 0.01055464
-1.84864069 -0.35864909 -11.57331311
0.00033556 -0.00018146 -0.00011645
-0.02681426 -0.00140928 0.01105578
14.87623154 -7.69015556 -11.18816090
-0.00014189 0.00027306 0.00050053
-0.01106507 0.00370193 -0.04832771
16.72120873 -6.88895342 -9.00439593
0.00061283 0.00008117 0.00114574
-0.00167037 -0.00446522 -0.00538175
6.90439379 -2.79141537 6.25884768
0.00054263 -0.00012623 -0.00032444
0.03212008 -0.00252534 -0.02040359
9.83513321 -2.85126733 4.89344474
0.00105668 -0.00073216 -0.00037080
-0.01015296 -0.00095857 -0.00218296
-21.84288501 1.65667483 22.81455274
0.00052594 -0.00102127 0.00031665
0.00554410 0.00109826 0.00069764
-22.60000416 0.51702333 25.34656184
-0.00007726 0.00048169 -0.00029740
0.00072635 0.00181420 -0.00576042
25.45358047 -3.00346019 -7.59563112
0.00033861 0.00000980 -0.00044656
0.00807823 -0.00968391 -0.00841240
23.67516637 -0.70435727 -7.32617985
-0.00007405 0.00071258 0.00077294
0.00013456 -0.00232122 0.00224947
10.98015771 -12.68261696 -8.53797933
0.00120771 -0.00059464 0.00043203
-0.00977536 -0.00907180 0.01085079
12.59338913 -10.39703077 -9.51096648
0.00001154 0.00065276 0.00071059
0.01059919 0.01174170 0.00425922
-5.51605190 -10.46349874 18.43809061
0.00085366 -0.00007966 0.00026902
0.00872363 0.00339982 -0.02895186
-6.20152603 -9.72007639 15.65634949
0.00020093 -0.00016452 -0.00104850
-0.03641690 0.01291074 -0.02799253
8.65592084 0.88842115 -31.61502638
0.00017211 0.00037354 -0.00069964
0.00558388 0.00581304 0.00651900
6.34515870 2.47258626 -31.05946678
0.00062160 -0.00016763 -0.00041838
0.00272148 0.00092866 0.00011915
11.25606445 18.55512866 13.58587356
0.00069838 -0.00143146 0.00001626
-0.00109199 0.01601995 -0.01367039
12.14999970 16.07199345 14.56568743
-0.00045566 -0.00036174 0.00012395
-0.00926969 0.00218912 0.00059303
30.44851964 5.53927396 -8.24681217
0.00050730 -0.00028158 0.00031087
0.00488317 0.00117628 0.00275431
29.14251897 7.88927541 -7.22854560
0.00049491 -0.00025922 -0.00021084
-0.07100403 0.02261927 0.01797647
-8.39238468 4.94966433 5.66405919
-0.00009947 -0.00019180 -0.00009489
0.00626586 0.00423487 0.00939214
-10.77083570 10.13034789 3.48447791
0.00004252 0.00004581 -0.00014254
0.00204830 -0.00219645 0.00026832
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08103747
0.31518180
419.96394352
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.111 s
total exchange = -52.3786786218 (a.u.)
total exchange computation time: 2.7088360786 s
-154.3205774060
-931.39367326
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.108 s
total exchange = -52.3779391264 (a.u.)
total exchange computation time: 2.7100491524 s
-154.3269733536
Anderson extrapolation: theta=1.3760013920 (1.3760013920)
-931.39393691
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.113 s
total exchange = -52.3768256115 (a.u.)
total exchange computation time: 2.7079608440 s
-154.3364058287
Anderson extrapolation: theta=0.0628858181 (0.0628858181)
-931.39410042
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.114 s
total exchange = -52.3766837061 (a.u.)
total exchange computation time: 2.7123208046 s
-154.3375467099
Anderson extrapolation: theta=2.1995145749 (2.0000000000)
-931.39410837
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.108 s
total exchange = -52.3763868847 (a.u.)
total exchange computation time: 2.7092320919 s
-154.3399155836
Anderson extrapolation: theta=0.3335073434 (0.3335073434)
-931.39411787
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.110 s
total exchange = -52.3762973733 (a.u.)
total exchange computation time: 2.7080020905 s
-154.3406173121
Anderson extrapolation: theta=1.1902422088 (1.1902422088)
-931.39411998
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.115 s
total exchange = -52.3762207928 (a.u.)
total exchange computation time: 2.7076239586 s
-154.3412026005
Anderson extrapolation: theta=0.4133037613 (0.4133037613)
-931.39412156
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.112 s
total exchange = -52.3762193654 (a.u.)
total exchange computation time: 2.7087860107 s
-154.3411970608
Anderson extrapolation: theta=0.8845578853 (0.8845578853)
-931.39412198
-256.037666 122.168754 -35.752841
566.025345 1066.912697 -419.267662
309.987679 1189.081451 -455.020503
1310.362819
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 5.111 s
total exchange = -52.3762410904 (a.u.)
total exchange computation time: 2.6956970692 s
678.83376025
-1084.00636288
89.89544130
-388.90775828
-174.83296143
78.44194427
551.60419304
0.00000000
-931.39412212
5.64721039 -31.16439045 -3.84128857
-0.00001947 -0.00011366 0.00018445
0.00666099 -0.00139603 -0.02292712
-11.73190678 -1.03563799 -11.86682227
-0.00029124 0.00003402 -0.00000234
0.00703067 0.02717583 0.00354474
-38.05614298 2.32639283 3.43631803
0.00009878 -0.00004202 -0.00013301
0.00804944 -0.00849236 0.00235596
-9.42424529 -2.77759753 2.61381254
-0.00069582 -0.00002700 -0.00028792
0.03000043 -0.01480541 -0.00608219
0.60396236 -0.16052280 8.98678029
0.00015849 -0.00021619 -0.00002651
-0.00061160 -0.00167062 -0.03193038
-32.39777783 2.75243216 1.90031113
-0.00010978 0.00009475 -0.00031704
0.02470829 -0.03152709 0.01302382
13.87734565 13.50848260 -14.30045814
0.00027612 0.00029871 -0.00019052
0.08001303 0.03966428 0.03232418
-3.89152039 7.06305154 4.22783694
-0.00033207 0.00008719 -0.00033910
0.02891124 0.01409232 -0.05419784
5.72622230 16.69359176 -8.58209863
0.00014180 0.00003293 0.00020392
-0.00913508 0.00645287 0.04476337
6.91001730 7.04505225 -21.03759096
-0.00033535 0.00040215 0.00002015
0.02369749 -0.00314700 -0.01033346
23.61061412 17.08813323 -2.38905898
-0.00048479 0.00000617 0.00037854
0.00346167 0.00747989 -0.00133715
1.33996678 12.80081657 -21.11552947
0.00003225 0.00010690 0.00013749
0.00049560 0.00134183 0.00112997
10.30288859 -3.63011176 -1.80099018
0.00018496 0.00015704 0.00019235
-0.02970719 -0.04374075 0.02020824
-17.99582259 -2.62929327 4.62467695
0.00032219 -0.00004031 0.00016499
-0.02230936 -0.03169048 -0.01032104
-15.21844978 0.09697771 18.67713568
-0.00017851 0.00017038 -0.00020139
0.00804677 -0.00040918 -0.00180030
2.80103741 2.72084489 -2.98528591
0.00002201 0.00007789 0.00017725
-0.01479833 0.00384686 0.00542344
23.37465327 -7.71277381 -9.55141267
0.00001123 -0.00026156 -0.00017421
-0.02002583 -0.00283650 -0.01541990
1.36436981 -8.02809533 6.64829208
0.00011745 0.00009410 0.00021438
-0.01960473 0.00170314 -0.02320394
-3.85972010 -1.34943154 -18.25605600
0.00020030 0.00044993 0.00014099
0.01942568 0.03570006 -0.00931914
3.38864486 4.23950851 -10.76265923
-0.00040028 0.00016832 0.00014503
-0.00118494 -0.02170590 0.02581349
-2.67959831 16.93191625 13.82639756
-0.00001290 -0.00021338 0.00003474
-0.00613951 0.00041295 -0.00716185
-2.19610981 2.05572688 -7.05393557
-0.00020339 0.00016517 0.00000051
0.00192364 -0.04371062 0.00743267
-6.64099259 -2.02598137 -4.36600667
0.00006660 -0.00002239 -0.00006329
0.02901017 0.00669601 0.00910114
0.33774144 28.16386935 7.23225830
0.00014286 0.00006464 0.00032036
-0.01693798 0.00808109 -0.01156708
10.02790220 -9.10687069 -1.45088033
0.00002695 -0.00003987 0.00005436
-0.01877579 0.00118042 -0.02084394
-6.81342143 0.32086090 7.58219317
-0.00000463 0.00008031 0.00011072
0.01868515 0.01023756 -0.00226227
18.55961479 11.77110697 6.27374572
-0.00003765 -0.00012984 0.00015020
0.02757373 -0.01324628 0.01793475
-3.26539317 -3.98509144 -23.27984004
0.00005456 -0.00014279 -0.00022505
0.01089718 -0.00866278 0.00461655
-13.65300921 8.24456230 8.19067796
-0.00000340 0.00006001 0.00031917
0.00050358 0.00788970 0.00139294
-11.90678541 7.59019118 -2.55951092
-0.00044663 -0.00036255 -0.00012177
0.01231386 0.03089839 0.00901499
-3.13847137 -16.19462368 20.39957916
-0.00047100 -0.00032442 0.00002996
-0.01990424 0.00367156 0.01169476
-3.11014935 6.93512581 -8.00492706
-0.00035468 -0.00004265 0.00019023
0.00584530 -0.04272338 -0.03747811
-20.69688569 29.50725487 1.42159419
-0.00002670 0.00010638 -0.00014626
0.05093387 -0.01813787 -0.01449348
9.76417331 3.31915985 7.53295144
0.00011243 -0.00024347 0.00007838
0.01615443 -0.04258990 -0.02421930
6.35609436 14.34406570 -13.32763556
0.00004367 0.00026817 0.00046012
0.02157411 0.05750033 -0.03849061
14.16584908 3.84937200 -2.90409021
-0.00003971 -0.00028260 0.00006725
0.00049978 -0.00019018 0.05963277
-6.35445126 11.10178355 -0.52820702
0.00015648 0.00000483 0.00006999
0.01025578 -0.01011096 0.01264268
6.04149129 13.07194779 3.18707830
0.00033695 0.00017749 -0.00007338
-0.04305128 0.03666001 0.00438389
21.87059539 -12.33198039 -11.49345387
0.00022943 0.00027608 -0.00031272
-0.01312250 -0.00937042 -0.00957210
16.67240905 -6.32447995 3.35717500
0.00009526 0.00000282 -0.00005273
-0.00911349 -0.03351921 -0.00469827
15.24449113 7.26130193 9.98019856
0.00015246 -0.00009210 -0.00019627
-0.01764792 0.01408576 0.00805285
3.12244758 -13.85173654 16.55642282
-0.00023065 -0.00004894 -0.00007983
-0.00407489 -0.02228145 -0.02105226
-3.56861611 -0.74014904 -10.72064216
-0.00002032 -0.00045238 -0.00002898
0.02783875 0.01500933 -0.02867677
15.28779906 -7.97000831 -9.50683437
0.00022385 0.00005982 -0.00022712
0.00830217 0.00528189 0.06038404
8.74920543 -3.25869451 6.32321758
0.00023886 -0.00038142 0.00007582
-0.00546311 -0.00583745 0.01425093
-21.34867585 1.61464700 24.56841164
-0.00029303 -0.00002387 -0.00015000
-0.00268873 -0.00484625 0.00509326
24.92583845 -1.70215006 -6.45145359
-0.00007261 -0.00003390 -0.00010119
-0.00469243 0.00852967 0.00339458
11.59633988 -11.81601579 -9.98824264
0.00015442 -0.00011151 -0.00011356
0.00374879 0.00201281 -0.01774845
-4.87375841 -10.23207493 16.65588631
-0.00005356 -0.00002412 -0.00008302
0.03152837 -0.02267833 0.05771146
8.02586388 2.14607338 -30.37726826
0.00031148 0.00049336 -0.00039656
-0.00784878 -0.01306077 -0.01782046
10.82004802 17.33181458 14.83727544
0.00006855 -0.00040567 -0.00016984
0.00989275 -0.01679301 0.00643896
30.66744975 7.28910493 -7.69857942
-0.00010362 -0.00002601 0.00005527
0.07312699 -0.02906611 -0.01120829
5.72743172 -30.07033954 -5.32707507
-0.00032683 -0.00036273 0.00080498
0.00777078 -0.00479639 0.00043421
4.09071729 -30.63513278 -3.15246439
-0.00035120 -0.00071231 -0.00040173
-0.02353663 0.00884817 0.01832251
-12.30514741 -2.37027041 -13.04129194
-0.00001486 0.00067324 -0.00058634
-0.00333448 0.01260884 -0.00815945
-11.81390762 0.65638692 -12.79826750
0.00066826 0.00002934 0.00045361
-0.00411198 -0.03137083 0.01160738
-37.98628372 3.54785060 2.07457926
0.00100926 0.00105659 -0.00043990
-0.00971079 0.00525889 0.00021714
-39.62248520 1.36248840 3.31346599
-0.00024133 0.00026836 0.00053157
0.00345053 0.00872886 -0.00336986
-10.05340444 -3.00604956 0.83888131
0.00089356 -0.00040499 -0.00042144
0.00337191 -0.00522785 0.01318037
-7.83826282 -3.92944367 2.83581920
0.00007517 0.00041568 0.00131882
-0.04395276 0.02671680 -0.00718172
0.10279359 -0.16993889 7.19310211
0.00053849 -0.00019478 0.00099672
0.00052037 -0.00536170 0.01833324
2.01294765 0.98469376 8.91618816
-0.00002769 0.00036876 -0.00072793
0.00627395 0.00606949 0.00968554
-31.81925646 0.95137085 2.27196966
-0.00097510 0.00004779 0.00108335
-0.00727998 0.02397463 -0.00931623
-34.15430717 2.67178015 2.30988622
0.00078181 0.00083582 -0.00013000
-0.01301819 -0.00030388 -0.00157391
12.56087905 12.82576355 -15.16404637
-0.00029810 -0.00035126 -0.00032839
-0.03997551 -0.02837393 -0.04155853
15.58745182 13.31186652 -15.13255283
0.00008933 -0.00034873 -0.00018983
-0.04031984 -0.00860756 0.01298254
-3.84777659 8.93138405 4.53761360
-0.00018557 -0.00016434 0.00031414
-0.00459547 -0.01629823 0.01043213
-2.91815756 6.96506686 2.50990416
-0.00120998 -0.00011343 -0.00050132
-0.02598585 -0.00619403 0.04630794
5.70826414 16.44476387 -10.32525463
0.00030801 -0.00059154 0.00020557
0.00423264 -0.01070360 -0.04065093
7.47857573 16.95135553 -8.11299249
0.00011368 -0.00010232 0.00044054
0.01113695 0.00064506 -0.00006621
8.02578198 7.22125289 -22.60635819
0.00054110 -0.00004626 -0.00001645
-0.01521876 -0.00232981 0.01697687
8.18384070 7.38136764 -19.72615803
-0.00002281 0.00033200 -0.00003619
-0.01014395 0.00293602 -0.00687335
21.93225554 17.82826445 -2.02292152
-0.00017195 0.00043741 -0.00089092
0.00291194 -0.00743063 -0.00034961
24.45129927 18.37679002 -3.41551663
0.00069529 -0.00034263 -0.00007487
-0.00430017 -0.00589944 0.00152845
1.01088470 11.11028685 -21.79634731
0.00103090 0.00042751 0.00105713
-0.00025164 0.00882180 0.00194116
1.00649189 14.17636622 -22.30116828
-0.00073687 0.00020509 0.00057975
0.00085843 -0.01071318 -0.00303712
9.91596271 -5.56613792 -1.51607345
-0.00032429 0.00005880 -0.00001849
0.01338890 0.05214721 -0.00863876
8.67901945 -2.72025006 -1.52861776
0.00090071 0.00061547 -0.00155892
0.02141262 -0.01219398 -0.01189211
-19.02611210 -4.14660244 4.98972651
0.00046103 -0.00001558 0.00004989
0.00420247 0.01928337 0.00769276
-17.43323447 -3.16566728 2.95707149
0.00052810 0.00009861 0.00074061
0.00481952 0.01026938 0.00284199
-15.21995811 -0.03526761 16.83234384
-0.00068795 0.00042015 0.00004158
0.00185578 0.00070408 0.00813669
-14.01704326 1.45046357 18.95646050
0.00034393 -0.00099222 -0.00004719
-0.00287399 -0.00460833 0.00060009
3.13575793 3.53981047 -4.56593922
0.00038049 -0.00073017 0.00018640
-0.00350874 0.00826127 -0.00076452
3.95021959 1.28810290 -3.04884073
-0.00149206 -0.00035359 -0.00096097
0.00457152 0.00037344 0.00264462
22.92237112 -9.36460960 -10.18960601
-0.00021120 0.00018700 0.00006109
-0.00568407 -0.01030626 -0.00900059
24.93354760 -7.94045180 -8.76245895
0.00025593 -0.00000505 0.00057160
0.03037580 0.00294637 0.01757333
2.03463548 -8.21674171 4.96174228
0.00087339 -0.00103573 0.00004237
-0.00381238 -0.00854960 -0.00208102
2.75701595 -7.36955293 7.53839019
-0.00009522 -0.00076498 0.00121907
0.02148325 0.00475452 0.02337660
-4.22321957 -2.93675592 -17.56641090
0.00036657 0.00031238 0.00043612
-0.00583890 -0.03087391 0.01209481
-4.78603661 -0.20695239 -17.10700732
-0.00009015 -0.00024528 0.00098254
-0.00534513 -0.00845275 -0.00764695
2.27914899 4.84426424 -12.02539020
0.00015721 -0.00066220 -0.00009312
-0.00935168 0.01797273 -0.02849747
2.10756059 3.47619207 -9.68627797
0.00045674 0.00007015 0.00100887
0.00555268 0.00296772 0.00612405
-1.22020701 15.80438144 13.54331059
0.00106511 0.00116739 -0.00005229
0.00609071 -0.00095081 -0.01465639
-2.51219892 17.05615454 15.59914458
0.00082330 -0.00008088 0.00083758
-0.00924567 0.00850800 0.02442466
-1.75626759 0.84607178 -5.68382875
0.00057891 0.00018976 0.00024353
-0.00897473 0.02207129 -0.01665766
-3.03217070 0.85370934 -8.38846786
0.00034466 -0.00045778 -0.00087930
0.01098341 0.02400470 0.01970198
-7.95616280 -2.87956086 -5.17265292
-0.00108888 -0.00006712 -0.00034850
-0.02851626 -0.02246698 -0.01214071
-7.29519372 -0.36366168 -4.16095721
-0.00067493 -0.00043101 0.00003619
-0.00213524 0.01830627 0.00510715
1.43082347 28.64165208 5.84744192
0.00076132 -0.00012978 -0.00073016
0.00369519 -0.00315822 -0.00070188
-1.34889632 28.37437677 6.36928115
-0.00150704 0.00072868 0.00039271
0.01251208 -0.00551412 0.00921737
8.23394027 -9.19392735 -2.04472771
0.00010388 0.00013205 -0.00031003
0.01707710 0.00526498 -0.00329795
9.90988532 -9.88715298 0.16724856
0.00007724 -0.00045810 -0.00077591
0.00794162 -0.00324604 0.02181473
-5.47101041 -0.16852731 8.82208325
-0.00058001 0.00100745 -0.00025946
-0.02453205 0.00314822 0.00243391
-8.38621254 -0.50166527 7.99425020
-0.00060263 0.00066379 0.00009282
0.00262950 -0.00493043 0.00837567
19.95471605 11.40293584 7.50587378
0.00089900 -0.00023667 0.00033355
-0.02427160 0.00019756 -0.00205586
19.54082907 12.81546210 5.19174845
0.00057181 0.00060420 0.00062945
0.00414786 0.01692122 -0.01397980
-3.45380832 -2.98988050 -21.78176461
0.00045205 0.00200542 -0.00004614
-0.00130016 0.01198910 0.00923879
-4.53111290 -3.34447716 -24.43161079
-0.00048091 0.00070935 0.00120228
-0.01279727 0.00398573 -0.00982580
-12.53696630 9.15801989 9.33300649
0.00044770 0.00053380 -0.00026183
-0.00286358 -0.00436877 0.01091598
-13.11071890 8.98155688 6.60521585
0.00001711 -0.00049541 0.00016906
-0.00113291 -0.00050894 -0.00754187
-12.62572536 7.38564471 -4.21938726
0.00016077 0.00016081 -0.00070398
-0.00329320 0.00118563 -0.01446590
-11.41426849 9.43413578 -2.41379254
0.00017868 0.00016012 -0.00033068
-0.01031104 -0.02902599 -0.00392039
-4.71556482 -17.17436782 20.28084834
0.00077389 0.00020177 0.00010049
0.00574875 0.00644966 -0.00662908
-1.86092740 -17.36534404 19.95334280
-0.00035722 0.00089011 -0.00031137
0.01270602 -0.01011129 -0.00810666
-3.40725742 5.54706295 -6.86705585
-0.00097589 0.00015952 0.00034702
0.00596163 -0.01110860 -0.00363808
-3.49459562 8.33028309 -7.07633674
0.00004451 -0.00019675 0.00016880
-0.01659420 0.06157217 0.03927929
-20.95599893 28.44591485 -0.08278578
-0.00043159 -0.00038023 0.00031136
-0.00342732 0.00976178 0.01410150
-18.77423259 29.14396629 1.61385970
-0.00015197 0.00016863 0.00039435
-0.04140611 0.01766007 -0.00230394
8.89235850 2.63661335 6.04072320
0.00006147 -0.00112761 -0.00114706
-0.00320641 0.00226385 0.01213214
8.99132814 4.89395110 7.80285440
0.00030473 0.00038823 0.00023348
-0.01528613 0.03925326 0.01394359
7.00371770 14.56266636 -15.11315813
-0.00012528 0.00053576 0.00101374
-0.01085603 -0.00454775 0.03418247
5.94153060 12.66345881 -13.19299610
0.00114439 0.00120776 -0.00033391
-0.00945589 -0.05250968 0.00211941
13.27125619 5.26670572 -3.54399852
-0.00036723 0.00054355 0.00048999
-0.00815767 0.01486250 -0.01617706
13.63436016 4.13039447 -1.04524383
-0.00030439 -0.00007498 0.00014859
0.00828172 -0.02184855 -0.04020373
-5.59651965 9.60930019 0.27636905
0.00081315 -0.00081992 0.00020532
-0.00726238 0.01222945 -0.01094559
-7.87586043 11.40337267 0.44991657
-0.00098641 -0.00167342 -0.00073305
-0.00288532 -0.00436710 -0.00161466
4.50712943 12.75047201 2.15875876
0.00024707 -0.00027125 -0.00009471
0.01184777 0.00038496 0.00761832
7.22867577 11.85781418 2.79109868
-0.00071220 0.00121573 -0.00075216
0.03105364 -0.03408385 -0.00722513
20.34067584 -12.96430608 -10.63954306
-0.00025203 0.00009062 0.00074162
0.01662661 -0.00015526 -0.00386888
22.23491335 -13.64058629 -12.80859687
-0.00061383 -0.00059915 -0.00070264
-0.00054838 0.00961788 0.01328772
17.79593497 -6.42530553 1.93564722
0.00048701 0.00093127 0.00144900
0.00704266 0.00964216 -0.01325867
15.93256872 -8.04527950 3.19417608
0.00041539 -0.00076222 0.00022984
0.00050945 0.02481048 0.00946904
13.97628952 8.49287633 10.72673926
0.00001202 -0.00040209 0.00043211
0.02083860 -0.02003607 -0.01044848
16.37853060 6.85464691 11.37243254
0.00039224 -0.00055016 -0.00096595
-0.00287506 0.00086556 -0.00246645
2.90515308 -13.50001075 14.74721428
-0.00050753 0.00144988 0.00031762
-0.00162253 0.00370443 0.01987191
3.86561537 -12.46535658 17.42251448
-0.00079390 0.00051825 -0.00110335
0.00574012 0.01751705 -0.00225267
-3.29399110 -2.45708408 -10.19550925
-0.00024575 -0.00020772 -0.00042875
-0.00302164 -0.01945619 0.01161032
-1.84442900 -0.36141416 -11.57472106
0.00022351 -0.00018827 -0.00007028
-0.02803457 -0.00192238 0.01154624
14.87376413 -7.68594625 -11.18213385
-0.00018792 0.00029095 0.00029377
-0.01146751 0.00505768 -0.05288288
16.73034992 -6.88787274 -8.98737480
0.00060000 0.00005890 0.00111920
-0.00460553 -0.00643726 -0.00760555
6.91351755 -2.79338618 6.25335589
0.00067046 -0.00013589 -0.00040739
0.03045403 -0.00220373 -0.02020443
9.85067233 -2.86227911 4.88781584
0.00100928 -0.00073831 -0.00037237
-0.01305019 -0.00204993 0.00141632
-21.83482603 1.64138943 22.81932381
0.00054601 -0.00101607 0.00030855
0.00427837 0.00144785 -0.00465847
-22.60114077 0.52430423 25.34192436
-0.00007930 0.00048460 -0.00031671
-0.00172429 -0.00038883 -0.00369121
25.45890721 -3.00360988 -7.60258724
0.00036926 -0.00002515 -0.00047844
0.00692210 -0.00742409 -0.00719731
23.67405979 -0.69373977 -7.31451676
-0.00007329 0.00070200 0.00078078
0.00023543 -0.00285338 0.00158663
10.99797375 -12.69181460 -8.53116641
0.00116894 -0.00062941 0.00047113
-0.00920255 -0.00794602 0.00828913
12.59388700 -10.38687956 -9.50017711
0.00004857 0.00069091 0.00072349
0.00752983 0.00693443 0.00205629
-5.50297969 -10.46458946 18.44123870
0.00088633 -0.00006501 0.00014948
0.00726705 0.00377281 -0.02956035
-6.19962807 -9.72214855 15.63976421
0.00005782 -0.00011466 -0.00115628
-0.03363626 0.01149640 -0.02476514
8.65867355 0.89420244 -31.62532116
0.00019505 0.00039863 -0.00067061
0.00564584 0.00646755 0.00769068
6.35456607 2.47010019 -31.06573885
0.00062680 -0.00016167 -0.00041952
-0.00017694 0.00198879 -0.00067746
11.26650662 18.53414764 13.58569851
0.00069553 -0.00135769 -0.00004719
-0.00030050 0.02009097 -0.01738546
12.14288077 16.06663437 14.56756488
-0.00048911 -0.00035813 0.00012667
-0.00710645 -0.00041944 0.00073827
30.45627880 5.53508631 -8.24206474
0.00052660 -0.00027566 0.00032247
0.00456496 0.00172056 0.00292260
29.14776678 7.88608022 -7.23115733
0.00019267 -0.00016260 -0.00013420
-0.07694471 0.02467584 0.01953812
-8.39385997 4.94679873 5.66266103
-0.00009723 -0.00019025 -0.00009153
0.00629115 0.00441645 0.00940276
-10.77019431 10.13103120 3.48234025
0.00004300 0.00004527 -0.00014248
0.00209291 -0.00242988 0.00030404
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08087539
0.31324673
417.38556504
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3756099247 (a.u.)
total exchange computation time: 2.7089989185 s
-154.3160775977
-931.39250447
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.871 s
total exchange = -52.3748698116 (a.u.)
total exchange computation time: 2.7102560997 s
-154.3225489805
Anderson extrapolation: theta=1.3444881194 (1.3444881194)
-931.39276622
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3737817441 (a.u.)
total exchange computation time: 2.7060289383 s
-154.3319002365
Anderson extrapolation: theta=0.0511946752 (0.0511946752)
-931.39292151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.872 s
total exchange = -52.3736520314 (a.u.)
total exchange computation time: 2.7082290649 s
-154.3329727022
Anderson extrapolation: theta=1.9529194842 (1.9529194842)
-931.39292715
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.872 s
total exchange = -52.3733767696 (a.u.)
total exchange computation time: 2.7076849937 s
-154.3352329154
Anderson extrapolation: theta=0.2269618250 (0.2269618250)
-931.39293296
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3733092874 (a.u.)
total exchange computation time: 2.7088599205 s
-154.3357731119
Anderson extrapolation: theta=1.8657039596 (1.8657039596)
-931.39293404
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.961 s
total exchange = -52.3732043228 (a.u.)
total exchange computation time: 2.7058508396 s
-154.3365941533
Anderson extrapolation: theta=0.2808774948 (0.2808774948)
-931.39293528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.961 s
total exchange = -52.3731964276 (a.u.)
total exchange computation time: 2.7082579136 s
-154.3366366910
Anderson extrapolation: theta=1.2765200871 (1.2765200871)
-931.39293556
-256.012762 122.167772 -35.791177
566.061763 1066.923669 -419.236058
310.049001 1189.091441 -455.027235
1310.388729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0574127907
ExchangeOperator: pair fraction: ispin=0: 0.1389940508
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3732028241 (a.u.)
total exchange computation time: 2.6946539879 s
678.79008993
-1083.91167366
89.89900740
-388.97138308
-174.82577349
78.39265580
551.60419304
0.00000000
-931.39293573
5.64694396 -31.16610074 -3.83861023
-0.00001613 -0.00011500 0.00017354
0.00634596 -0.00381854 -0.01949986
-11.73624825 -1.03502284 -11.86684375
-0.00028739 0.00004792 -0.00000017
0.00792593 0.02685022 0.00490146
-38.05463026 2.32572976 3.43433203
0.00010314 -0.00004525 -0.00013289
0.00889569 -0.00406074 -0.00189151
-9.43456689 -2.77805963 2.60947033
-0.00067965 -0.00003475 -0.00029015
0.03286798 -0.01533718 -0.00261829
0.60633731 -0.16377215 8.98625950
0.00015922 -0.00021657 -0.00004114
0.00347581 0.00020910 -0.02495369
-32.39932926 2.75373176 1.89560580
-0.00009553 0.00007848 -0.00031051
0.03073140 -0.03171979 0.01236508
13.88179611 13.51311629 -14.30319124
0.00031489 0.00031809 -0.00017517
0.07074884 0.03568261 0.02735928
-3.89638993 7.06441375 4.22254140
-0.00031753 0.00009405 -0.00036645
0.02763502 0.01258570 -0.05216171
5.72831402 16.69411061 -8.57886713
0.00013705 0.00003625 0.00022653
-0.00930587 0.00645021 0.04315123
6.90507839 7.05107237 -21.03732863
-0.00032252 0.00040051 0.00001464
0.02621600 -0.00324758 -0.01108315
23.60335566 17.08825461 -2.38338610
-0.00048192 0.00001041 0.00037710
0.00770833 0.00899602 -0.00423386
1.34045238 12.80242532 -21.11346283
0.00003291 0.00010884 0.00013892
0.00206909 0.00617961 0.00444972
10.30554837 -3.62792495 -1.79802704
0.00017068 0.00013395 0.00020231
-0.02582516 -0.04602052 0.01855701
-17.99107585 -2.63002018 4.62711194
0.00031058 -0.00005613 0.00016047
-0.02281492 -0.02981253 -0.00723027
-15.22109637 0.09953181 18.67410783
-0.00017495 0.00016939 -0.00020209
0.00578142 -0.00344567 -0.00089643
2.80131054 2.72202810 -2.98260622
0.00001385 0.00008021 0.00018033
-0.01694746 0.00516714 0.00656305
23.37474454 -7.71670815 -9.55408533
0.00000242 -0.00026226 -0.00018116
-0.01423719 0.00011446 -0.01160923
1.36605589 -8.02667720 6.65141831
0.00010780 0.00009488 0.00020157
-0.01789964 0.00132132 -0.02662002
-3.85664073 -1.34254496 -18.25397711
0.00020980 0.00046776 0.00013681
0.01752079 0.03365183 -0.00692758
3.38263602 4.24194958 -10.76038427
-0.00040001 0.00015688 0.00015895
0.00226433 -0.02277541 0.02831407
-2.67981550 16.92871713 13.82689097
-0.00001577 -0.00021297 0.00003317
-0.00502409 0.00119542 0.00106445
-2.19915330 2.05803589 -7.05389930
-0.00020235 0.00014216 0.00000418
0.00211819 -0.04578671 0.00684034
-6.63988162 -2.02629136 -4.36692090
0.00007943 -0.00002027 -0.00005988
0.02085851 0.00154801 0.00415866
0.33981896 28.16487011 7.23701907
0.00013360 0.00006951 0.00031222
-0.01905386 0.01086832 -0.02007267
10.02823401 -9.10746426 -1.45014535
0.00001738 -0.00003877 0.00004256
-0.01843160 0.00311426 -0.02505077
-6.81341879 0.32210499 7.58384524
0.00000357 0.00008580 0.00010867
0.01321449 0.01113498 -0.00570792
18.55915641 11.76910832 6.27606796
-0.00002195 -0.00013624 0.00015943
0.03346215 -0.01166285 0.01795199
-3.26453272 -3.98726667 -23.28319793
0.00005983 -0.00014550 -0.00022016
0.00960663 -0.00187622 0.01438483
-13.65305831 8.24549292 8.19547083
-0.00000292 0.00006419 0.00032010
0.00136512 0.00836015 0.00222120
-11.91343730 7.58487212 -2.56130264
-0.00044019 -0.00034586 -0.00011756
0.01269262 0.03400113 0.00733802
-3.14561320 -16.19947585 20.40007375
-0.00048015 -0.00032044 0.00003651
-0.01567117 0.01182359 0.01374282
-3.11544695 6.93432122 -8.00221825
-0.00035168 -0.00006481 0.00017099
0.00579442 -0.04343388 -0.03732129
-20.69708974 29.50878053 1.41934441
-0.00000077 0.00009720 -0.00015345
0.04989163 -0.01752606 -0.01347651
9.76592204 3.31534347 7.53403376
0.00011943 -0.00026510 0.00006454
0.01106470 -0.04150786 -0.02960610
6.35683270 14.34831006 -13.32088230
0.00005509 0.00030044 0.00044081
0.02282333 0.06796742 -0.03656963
14.16525542 3.84513228 -2.90285139
-0.00004036 -0.00028136 0.00009741
-0.00305577 0.00501693 0.05762619
-6.35206451 11.10181692 -0.52710838
0.00016206 -0.00000166 0.00007737
0.01145476 -0.01511689 0.01603523
6.04637947 13.07475158 3.18599448
0.00031241 0.00019822 -0.00007059
-0.05238662 0.04394865 0.00648305
21.87398627 -12.32787537 -11.49818155
0.00022150 0.00027009 -0.00031752
-0.01771356 -0.01393070 -0.00909021
16.67380278 -6.32456693 3.35636591
0.00008902 -0.00001486 -0.00005344
-0.01513753 -0.03524452 0.00193523
15.24671003 7.25997482 9.97728562
0.00014296 -0.00008477 -0.00019260
-0.01929596 0.01440517 0.00622190
3.11897208 -13.85255660 16.55514410
-0.00023279 -0.00006029 -0.00009095
-0.00423397 -0.02184231 -0.02217119
-3.56881349 -0.74687687 -10.72118741
-0.00000584 -0.00044381 -0.00004392
0.02847676 0.01830859 -0.02945221
15.29118882 -7.96909069 -9.51000828
0.00022882 0.00006271 -0.00019498
0.01104016 0.00598230 0.06461515
8.75276731 -3.26443828 6.32440983
0.00023739 -0.00038424 0.00008221
-0.00028376 -0.00513636 0.01059512
-21.35308169 1.61427031 24.56618126
-0.00029345 -0.00002581 -0.00014652
0.00104605 -0.00272517 0.00844791
24.92473120 -1.70262563 -6.45295838
-0.00007469 -0.00003003 -0.00009964
-0.00338370 0.00652346 0.00263654
11.59867059 -11.81768064 -9.99001449
0.00015698 -0.00010958 -0.00012135
0.00622048 0.00547835 -0.01255929
-4.87444027 -10.23252422 16.65486368
-0.00003807 -0.00003535 -0.00005454
0.02871761 -0.02097627 0.05302562
8.03050585 2.15342341 -30.38328544
0.00030816 0.00048622 -0.00040573
-0.00508994 -0.01468848 -0.01781898
10.82111439 17.32566470 14.83475262
0.00007286 -0.00041445 -0.00016570
0.00688774 -0.01732914 0.00968439
30.66617750 7.28860273 -7.69779365
-0.00006540 -0.00004116 0.00004940
0.07551429 -0.02987786 -0.01162034
5.72276742 -30.07592741 -5.31498702
-0.00029354 -0.00037656 0.00079840
0.00852324 -0.00197498 -0.00365435
4.08472808 -30.64554629 -3.15792894
-0.00044828 -0.00067668 -0.00032553
-0.02398741 0.00859484 0.01898150
-12.30547252 -2.35978537 -13.05033703
-0.00002962 0.00072209 -0.00062088
-0.00388773 0.01130174 -0.00875045
-11.80400968 0.65586568 -12.79110766
0.00065042 -0.00009560 0.00049918
-0.00461991 -0.02978773 0.01069782
-37.97144239 3.56386063 2.06798743
0.00096705 0.00106786 -0.00042863
-0.01095057 0.00025635 0.00530093
-39.62599934 1.36678123 3.32133622
-0.00022632 0.00030549 0.00051608
0.00389606 0.00944742 -0.00421091
-10.03989764 -3.01228460 0.83296362
0.00090498 -0.00042634 -0.00037102
0.00221524 -0.00522135 0.01150017
-7.83848209 -3.92238976 2.85538148
-0.00010759 0.00052585 0.00128712
-0.04550815 0.02720934 -0.00833523
0.11088683 -0.17302483 7.20861477
0.00053488 -0.00021802 0.00105558
-0.00228689 -0.00601412 0.01047628
2.01272452 0.99041115 8.90556593
-0.00000496 0.00039091 -0.00068639
0.00485406 0.00477391 0.01065203
-31.83410601 0.95282242 2.28793446
-0.00100314 0.00014540 0.00104346
-0.00644774 0.02380191 -0.01021142
-34.14297888 2.68430815 2.30788803
0.00071454 0.00083518 -0.00013362
-0.01991335 -0.00000815 -0.00019819
12.55518254 12.81962519 -15.17024570
-0.00044549 -0.00045929 -0.00048737
-0.03217241 -0.02450649 -0.03626157
15.58755625 13.30637179 -15.13500252
-0.00007301 -0.00038358 -0.00013730
-0.03914451 -0.00845078 0.01273481
-3.85070099 8.92841947 4.54264541
-0.00020394 -0.00022817 0.00035590
-0.00439518 -0.01494741 0.01001020
-2.93710348 6.96317558 2.50380340
-0.00131335 -0.00013808 -0.00031438
-0.02461457 -0.00586962 0.04520194
5.71301400 16.43556281 -10.32341675
0.00032570 -0.00063479 0.00004307
0.00442808 -0.01047051 -0.03889298
7.48062214 16.94984050 -8.10638642
0.00015864 -0.00009970 0.00043991
0.01087129 0.00063504 -0.00024112
8.03343206 7.22048761 -22.60608470
0.00047569 -0.00005583 0.00005451
-0.01679758 -0.00235406 0.01776035
8.18318771 7.38643768 -19.72691146
-0.00006584 0.00034397 -0.00006459
-0.01091828 0.00292019 -0.00702944
21.92976557 17.83459788 -2.03629609
-0.00016405 0.00040881 -0.00089108
0.00095347 -0.00657008 0.00027337
24.46159678 18.37146986 -3.41659279
0.00067361 -0.00037166 -0.00006415
-0.00631199 -0.00831512 0.00371597
1.02634046 11.11696978 -21.78043091
0.00102662 0.00045313 0.00105949
-0.00184401 0.00371889 -0.00078455
0.99546514 14.17911424 -22.29256503
-0.00073328 0.00016139 0.00056605
0.00089698 -0.01067523 -0.00367128
9.91150864 -5.56365791 -1.51661553
-0.00026935 0.00027294 -0.00005350
0.01350542 0.05267523 -0.00850038
8.69318631 -2.71139168 -1.55236605
0.00097992 0.00056923 -0.00160517
0.01736151 -0.01044167 -0.01074300
-19.01906793 -4.14624529 4.99071056
0.00047682 0.00006132 0.00008204
0.00352812 0.01836184 0.00804658
-17.42516523 -3.16387345 2.96826771
0.00055018 0.00013864 0.00074500
0.00598948 0.00932708 -0.00069226
-15.23022043 -0.02894379 16.83321686
-0.00067992 0.00042254 0.00007118
0.00207522 0.00046801 0.00635270
-14.01197241 1.43543912 18.95577109
0.00033699 -0.00100497 -0.00004365
-0.00051985 -0.00163631 0.00113166
3.14135771 3.52911101 -4.56316667
0.00036602 -0.00069232 0.00017889
-0.00357262 0.01026888 -0.00290924
3.92797881 1.28281047 -3.06317430
-0.00146886 -0.00035876 -0.00094776
0.00678482 -0.00290408 0.00382420
22.91902897 -9.36212040 -10.18896544
-0.00023525 0.00013900 0.00002249
-0.00608832 -0.01318959 -0.00989389
24.93831738 -7.94043728 -8.75334640
0.00036956 0.00000774 0.00063767
0.02524464 0.00331270 0.01476842
2.04761952 -8.23253967 4.96231402
0.00085556 -0.00106863 0.00004266
-0.00491640 -0.00755672 0.00222259
2.75624600 -7.38088195 7.55739262
-0.00000874 -0.00074632 0.00131244
0.02084663 0.00438243 0.02232446
-4.21789987 -2.93301633 -17.55949841
0.00034470 0.00018986 0.00048258
-0.00486745 -0.02910031 0.01064522
-4.78755265 -0.21089057 -17.09250351
-0.00011059 -0.00027959 0.00094879
-0.00466262 -0.00834390 -0.00887599
2.28122058 4.83488192 -12.02766029
0.00011361 -0.00058735 -0.00021297
-0.01199222 0.01866682 -0.03016971
2.11458190 3.47733533 -9.67095721
0.00047796 0.00008323 0.00103223
0.00483481 0.00343346 0.00530717
-1.20404379 15.82186318 13.54207707
0.00108900 0.00116222 -0.00011289
0.00560356 -0.00158031 -0.01500537
-2.50013271 17.05520200 15.61245676
0.00078361 -0.00004733 0.00092122
-0.01018415 0.00791564 0.01651658
-1.74785900 0.84959454 -5.68068619
0.00054025 0.00028161 0.00017229
-0.00994791 0.02289046 -0.01821471
-3.02666428 0.84757818 -8.40105360
0.00039058 -0.00035787 -0.00079460
0.01149630 0.02490385 0.02175624
-7.97336981 -2.88125619 -5.17825251
-0.00118949 -0.00015009 -0.00038850
-0.02073468 -0.01814295 -0.00743842
-7.30538305 -0.36956591 -4.16025788
-0.00068321 -0.00035426 0.00005774
-0.00191839 0.01926325 0.00544063
1.44235656 28.63960864 5.83646799
0.00076412 -0.00014665 -0.00072094
-0.00232545 -0.00510287 0.00521720
-1.37111856 28.38513797 6.37545429
-0.00144040 0.00070442 0.00043447
0.02010813 -0.00636256 0.01122280
8.23602171 -9.19178529 -2.04947926
0.00017361 0.00015322 -0.00032286
0.01705765 0.00509842 -0.00298336
9.91128722 -9.89412399 0.15627839
0.00010888 -0.00047515 -0.00067872
0.00754727 -0.00509772 0.02576023
-5.48046227 -0.15331905 8.81826589
-0.00067323 0.00101661 -0.00024221
-0.02109818 0.00133219 0.00601384
-8.39517145 -0.49185951 7.99589914
-0.00058770 0.00064508 0.00012683
0.00467830 -0.00422867 0.00827316
19.96745731 11.39939184 7.51081398
0.00079311 -0.00023465 0.00032056
-0.02756082 0.00079259 -0.00430245
19.54953332 12.82504358 5.20076185
0.00058360 0.00066835 0.00057705
0.00162226 0.01447987 -0.01167343
-3.44706747 -2.95943181 -21.78217365
0.00045063 0.00204116 -0.00002370
0.00060662 0.00550605 0.00174759
-4.53871863 -3.33371478 -24.41387771
-0.00053487 0.00072461 0.00115765
-0.01361826 0.00348425 -0.01201980
-12.53033848 9.16589309 9.32941357
0.00043449 0.00051452 -0.00021763
-0.00360527 -0.00507270 0.01071908
-13.11049692 8.97411020 6.60752071
0.00001234 -0.00049721 0.00013670
-0.00120371 -0.00037477 -0.00829859
-12.62341474 7.38809326 -4.23039031
0.00014805 0.00016514 -0.00075969
-0.00293422 0.00093299 -0.01280346
-11.41190419 9.43564815 -2.41887282
0.00013473 0.00003559 -0.00034632
-0.01120249 -0.03193422 -0.00373803
-4.70378033 -17.17114368 20.28215251
0.00078146 0.00021800 0.00007236
-0.00204102 0.00149593 -0.00714060
-1.86589629 -17.35230223 19.94842388
-0.00029786 0.00084230 -0.00034725
0.01634785 -0.01329326 -0.00945945
-3.42171305 5.54911533 -6.86196210
-0.00095118 0.00011425 0.00033116
0.00613206 -0.01105090 -0.00412469
-3.49443642 8.32921860 -7.07260103
-0.00002329 0.00005649 0.00032971
-0.01659501 0.06239075 0.03948305
-20.96257777 28.44051058 -0.07768327
-0.00044456 -0.00034064 0.00036850
-0.00292182 0.00961816 0.01386887
-18.77778088 29.14703687 1.61970437
-0.00032002 0.00023990 0.00038351
-0.04085750 0.01722750 -0.00300186
8.89318237 2.61976850 6.02388903
0.00005459 -0.00110986 -0.00108319
-0.00016467 0.00642485 0.01913263
8.99543065 4.90097732 7.80678381
0.00024596 0.00053852 0.00028708
-0.01348148 0.03431688 0.01229814
7.00150584 14.57056342 -15.09690459
-0.00016654 0.00051976 0.00114664
-0.00934296 -0.00328581 0.03087217
5.95840672 12.67996620 -13.19793974
0.00110019 0.00096886 -0.00032221
-0.01218291 -0.06443418 0.00360387
13.26549775 5.27531446 -3.53714441
-0.00039456 0.00059461 0.00042762
-0.00521983 0.01013054 -0.01435233
13.63004802 4.12860023 -1.04424700
-0.00026947 -0.00016522 -0.00001591
0.00881573 -0.02232254 -0.04031662
-5.58454489 9.59737618 0.27911351
0.00077782 -0.00075921 0.00015516
-0.01003298 0.01748588 -0.01361025
-7.89074504 11.37813756 0.43887128
-0.00099455 -0.00169145 -0.00074091
-0.00109955 -0.00445884 -0.00222966
4.51119847 12.74641510 2.15757150
0.00029599 -0.00026742 -0.00006222
0.01210249 0.00148950 0.00828990
7.21894439 11.87500564 2.77959495
-0.00056704 0.00105947 -0.00078726
0.04000204 -0.04240604 -0.00995982
20.33740492 -12.96295157 -10.62853725
-0.00017442 0.00009407 0.00071990
0.02136227 0.00184768 -0.00676574
22.22568913 -13.64927884 -12.81872928
-0.00061614 -0.00055509 -0.00064335
-0.00058199 0.01195206 0.01573421
17.80345592 -6.41104097 1.95697587
0.00052448 0.00096879 0.00138268
0.01129719 0.00872079 -0.01920501
15.93881511 -8.05595247 3.19791379
0.00042073 -0.00065462 0.00026711
0.00210503 0.02785978 0.00877683
13.97710834 8.48623106 10.73290073
0.00009791 -0.00048375 0.00038898
0.02120424 -0.01993855 -0.01066233
16.38432617 6.84642108 11.35786776
0.00038304 -0.00054721 -0.00097194
-0.00163155 0.00057832 -0.00046822
2.89749040 -13.47814900 14.75258754
-0.00051551 0.00146192 0.00039601
-0.00228588 0.00218973 0.01850071
3.85388273 -12.45704613 17.40589522
-0.00076862 0.00059184 -0.00110732
0.00663640 0.01850936 0.00030968
-3.29776994 -2.46079607 -10.20158470
-0.00025719 -0.00029192 -0.00037958
-0.00257785 -0.02176148 0.01246029
-1.84193545 -0.36429704 -11.57542138
0.00010746 -0.00019704 -0.00002259
-0.02877029 -0.00237374 0.01179694
14.87059393 -7.68142697 -11.17934779
-0.00023460 0.00031350 0.00007311
-0.01138248 0.00597797 -0.05512953
16.73920886 -6.88718657 -8.97081979
0.00057590 0.00002916 0.00108376
-0.00719310 -0.00811966 -0.00974349
6.92450773 -2.79549204 6.24662586
0.00079006 -0.00014391 -0.00048939
0.02808800 -0.00172472 -0.01993223
9.86541165 -2.87341653 4.88227375
0.00095057 -0.00074870 -0.00035979
-0.01568865 -0.00303979 0.00474106
-21.82650485 1.62619277 22.82380937
0.00056104 -0.00100963 0.00027860
0.00308017 0.00170258 -0.01000273
-22.60238305 0.53156131 25.33706066
-0.00009157 0.00047837 -0.00032740
-0.00428183 -0.00266165 -0.00154466
25.46465817 -3.00421456 -7.60998446
0.00039495 -0.00005035 -0.00050485
0.00565524 -0.00491527 -0.00572605
23.67296763 -0.68329714 -7.30275642
-0.00007216 0.00068929 0.00078585
0.00031739 -0.00337133 0.00089355
11.01522579 -12.70149921 -8.52384548
0.00113279 -0.00065893 0.00049883
-0.00848984 -0.00650664 0.00527032
12.59484634 -10.37630337 -9.48926172
0.00007303 0.00070919 0.00072726
0.00444362 0.00201347 -0.00021376
-5.48946212 -10.46544897 18.44257514
0.00091257 -0.00004907 0.00002910
0.00557921 0.00402664 -0.02936796
-6.19979155 -9.72351615 15.62166116
-0.00007080 -0.00007172 -0.00124846
-0.02932141 0.00952016 -0.02035747
8.66177228 0.90038009 -31.63514460
0.00021832 0.00042611 -0.00063712
0.00574432 0.00698382 0.00870036
6.36396260 2.46773601 -31.07205245
0.00062005 -0.00015144 -0.00042401
-0.00312682 0.00301905 -0.00152108
11.27693038 18.51439791 13.58445797
0.00069566 -0.00126865 -0.00012462
0.00036533 0.02349673 -0.02051724
12.13532631 16.06124958 14.56948758
-0.00051332 -0.00036556 0.00012988
-0.00474157 -0.00321844 0.00083106
30.46431773 5.53100411 -8.23713821
0.00054446 -0.00026784 0.00033465
0.00417742 0.00210662 0.00303955
29.14829893 7.88439732 -7.23257163
-0.00012577 -0.00006090 -0.00005365
-0.07893317 0.02511029 0.01989259
-8.39530149 4.94395683 5.66131336
-0.00009497 -0.00018864 -0.00008816
0.00630315 0.00457615 0.00940516
-10.76954562 10.13170606 3.48020366
0.00004349 0.00004468 -0.00014240
0.00210130 -0.00264413 0.00037409
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08086896
0.31206676
415.81331701
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3716921726 (a.u.)
total exchange computation time: 2.6819729805 s
-154.3067182457
-931.39255075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.3709426777 (a.u.)
total exchange computation time: 2.6801748276 s
-154.3132536423
Anderson extrapolation: theta=1.3481330457 (1.3481330457)
-931.39281887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3698329300 (a.u.)
total exchange computation time: 2.6844558716 s
-154.3227616147
Anderson extrapolation: theta=0.0520253828 (0.0520253828)
-931.39297875
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.780 s
total exchange = -52.3696960413 (a.u.)
total exchange computation time: 2.6812939644 s
-154.3238903200
Anderson extrapolation: theta=1.9639133689 (1.9639133689)
-931.39298468
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.780 s
total exchange = -52.3694031907 (a.u.)
total exchange computation time: 2.6812520027 s
-154.3262897030
Anderson extrapolation: theta=0.2281419698 (0.2281419698)
-931.39299088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.780 s
total exchange = -52.3693302224 (a.u.)
total exchange computation time: 2.6821639538 s
-154.3268742011
Anderson extrapolation: theta=1.8665818311 (1.8665818311)
-931.39299205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.3692153679 (a.u.)
total exchange computation time: 2.6806819439 s
-154.3277760088
Anderson extrapolation: theta=0.2822436394 (0.2822436394)
-931.39299339
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.3692052127 (a.u.)
total exchange computation time: 2.6814069748 s
-154.3278378323
Anderson extrapolation: theta=1.2818822451 (1.2818822451)
-931.39299369
-255.995499 122.172717 -35.828997
566.093470 1066.936380 -419.205003
310.097971 1189.109097 -455.034001
1310.418688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0575581395
ExchangeOperator: pair fraction: ispin=0: 0.1397728502
ExchangeOperator: bisection time: 1.782 s
total exchange = -52.3692094688 (a.u.)
total exchange computation time: 2.6816937923 s
678.72676458
-1083.77724420
89.90418035
-389.06210280
-174.81538232
78.32198701
551.60419304
0.00000000
-931.39299386
5.64672649 -31.16784049 -3.83608233
-0.00001322 -0.00011754 0.00016454
0.00498321 -0.00607228 -0.01548691
-11.74052857 -1.03420054 -11.86682741
-0.00028310 0.00006146 0.00000275
0.00877244 0.02582408 0.00644638
-38.05304891 2.32503537 3.43233145
0.00010797 -0.00004624 -0.00013487
0.00991355 0.00019282 -0.00581990
-9.44463492 -2.77864005 2.60510791
-0.00066219 -0.00004266 -0.00029061
0.03504446 -0.01541506 0.00086584
0.60873907 -0.16701988 8.98554620
0.00016216 -0.00021594 -0.00005196
0.00794643 0.00223446 -0.01714010
-32.40064361 2.75478666 1.89099586
-0.00007835 0.00006221 -0.00030432
0.03604300 -0.03155566 0.01168812
13.88679239 13.51802526 -14.30571327
0.00034826 0.00033521 -0.00016253
0.05900657 0.03090320 0.02179206
-3.90104628 7.06587305 4.21684345
-0.00030378 0.00010007 -0.00039252
0.02583942 0.01083328 -0.04920886
5.73033395 16.69467922 -8.57530274
0.00013228 0.00003948 0.00024790
-0.00925386 0.00612834 0.03994767
6.90034173 7.05706744 -21.03715181
-0.00030851 0.00039878 0.00000879
0.02825206 -0.00345752 -0.01165931
23.59615667 17.08844539 -2.37774588
-0.00047695 0.00001535 0.00037426
0.01158375 0.01022345 -0.00683550
1.34095395 12.80408174 -21.11136186
0.00003437 0.00011330 0.00014207
0.00360940 0.01115542 0.00781726
10.30800891 -3.62609318 -1.79492074
0.00015856 0.00010984 0.00021142
-0.02130905 -0.04773569 0.01685580
-17.98650511 -2.63097708 4.62949116
0.00029878 -0.00007085 0.00015755
-0.02308536 -0.02742268 -0.00415505
-15.22369837 0.10205932 18.67107306
-0.00017257 0.00016684 -0.00020227
0.00346713 -0.00645940 0.00020079
2.80145293 2.72325118 -2.97987590
0.00000464 0.00008319 0.00018397
-0.01885161 0.00641920 0.00756531
23.37472598 -7.72064160 -9.55684756
-0.00000323 -0.00026155 -0.00018608
-0.00774215 0.00264463 -0.00750574
1.36760387 -8.02524887 6.65433918
0.00009927 0.00009557 0.00018724
-0.01528897 0.00134725 -0.02912090
-3.85342619 -1.33539876 -18.25195166
0.00021828 0.00048422 0.00013396
0.01548007 0.03034163 -0.00416397
3.37664464 4.24421493 -10.75789087
-0.00039815 0.00014504 0.00017389
0.00495434 -0.02328351 0.02981279
-2.68007145 16.92552723 13.82739260
-0.00001799 -0.00021218 0.00003583
-0.00359329 0.00186716 0.00928297
-2.20218044 2.05999166 -7.05381025
-0.00020121 0.00011830 0.00000748
0.00235042 -0.04700268 0.00601161
-6.63860974 -2.02658940 -4.36780305
0.00008792 -0.00002067 -0.00005902
0.01215657 -0.00312265 -0.00083464
0.34174948 28.16595472 7.24162499
0.00012341 0.00007574 0.00029997
-0.02059269 0.01334298 -0.02758354
10.02842363 -9.10803379 -1.44960362
0.00000809 -0.00003675 0.00002883
-0.01770547 0.00473264 -0.02831939
-6.81331421 0.32343498 7.58545328
0.00000883 0.00009176 0.00010477
0.00722150 0.01201894 -0.00946559
18.55895618 11.76701970 6.27852869
-0.00000332 -0.00014173 0.00016849
0.03900101 -0.00966617 0.01725378
-3.26359814 -3.98945637 -23.28644485
0.00006440 -0.00014471 -0.00021053
0.00816551 0.00494550 0.02305454
-13.65309687 8.24648805 8.20028084
-0.00000199 0.00006863 0.00032141
0.00225846 0.00888654 0.00290522
-11.91999126 7.57981536 -2.56303775
-0.00043365 -0.00032780 -0.00011436
0.01277325 0.03624210 0.00512319
-3.15287593 -16.20423680 20.40067435
-0.00048682 -0.00031232 0.00004406
-0.01025975 0.01973058 0.01565045
-3.12069985 6.93318155 -7.99979736
-0.00034892 -0.00008658 0.00015233
0.00493679 -0.04123128 -0.03523499
-20.69690889 29.51017099 1.41699067
0.00002443 0.00008846 -0.00016005
0.04811385 -0.01649067 -0.01220160
9.76775613 3.31120686 7.53488768
0.00012381 -0.00028577 0.00004821
0.00598132 -0.03886003 -0.03391624
6.35774711 14.35307876 -13.31441117
0.00006685 0.00033729 0.00042284
0.02289313 0.07536339 -0.03331092
14.16463818 3.84093126 -2.90116800
-0.00004282 -0.00027741 0.00012628
-0.00651350 0.01033843 0.05464826
-6.34958939 11.10173368 -0.52588604
0.00016809 -0.00001053 0.00008640
0.01200199 -0.01935079 0.01910357
6.05086350 13.07789442 3.18496068
0.00028360 0.00022227 -0.00006675
-0.05963573 0.04958676 0.00845713
21.87724050 -12.32387782 -11.50297936
0.00021135 0.00026191 -0.00032205
-0.02175237 -0.01787783 -0.00855384
16.67507972 -6.32492581 3.35557176
0.00007984 -0.00003327 -0.00005085
-0.02057653 -0.03633267 0.00812718
15.24878007 7.25875883 9.97442068
0.00013272 -0.00007738 -0.00018993
-0.02052669 0.01432780 0.00416247
3.11546392 -13.85354517 16.55369434
-0.00023490 -0.00007126 -0.00010244
-0.00396325 -0.02084284 -0.02249645
-3.56879118 -0.75346344 -10.72195989
0.00000887 -0.00043378 -0.00005916
0.02869956 0.02072710 -0.02978235
15.29466376 -7.96812691 -9.51268371
0.00023495 0.00006601 -0.00016131
0.01279595 0.00683615 0.06629434
8.75632699 -3.27022168 6.32568382
0.00023866 -0.00038677 0.00008681
0.00523746 -0.00470007 0.00728537
-21.35747947 1.61387260 24.56401605
-0.00029198 -0.00002665 -0.00014137
0.00468443 -0.00051606 0.01156880
24.92359784 -1.70305087 -6.45444284
-0.00007607 -0.00002723 -0.00009852
-0.00197632 0.00434945 0.00172167
11.60104928 -11.81930322 -9.99188323
0.00016076 -0.00010595 -0.00012640
0.00847708 0.00863073 -0.00707743
-4.87490057 -10.23313533 16.65425011
-0.00002425 -0.00004558 -0.00002891
0.02502841 -0.01879982 0.04664349
8.03510855 2.16066012 -30.38944010
0.00030622 0.00047830 -0.00041485
-0.00244794 -0.01613473 -0.01763638
10.82223389 17.31938113 14.83230452
0.00007565 -0.00042326 -0.00016007
0.00396456 -0.01692138 0.01220643
30.66548782 7.28787003 -7.69709752
-0.00002698 -0.00005626 0.00004366
0.07386280 -0.02884783 -0.01068776
5.71862547 -30.08163632 -5.30312293
-0.00025733 -0.00037858 0.00077500
0.00920128 0.00098736 -0.00780078
4.07726878 -30.65543306 -3.16223018
-0.00054493 -0.00064273 -0.00024775
-0.02331941 0.00802288 0.01908903
-12.30603590 -2.34860769 -13.05991839
-0.00004657 0.00076560 -0.00065766
-0.00441057 0.00999672 -0.00925152
-11.79439488 0.65351886 -12.78329219
0.00063061 -0.00021272 0.00054048
-0.00508187 -0.02754193 0.00952120
-37.95727219 3.57988638 2.06172047
0.00091976 0.00105933 -0.00039735
-0.01219822 -0.00442985 0.01001030
-39.62927471 1.37165305 3.32894837
-0.00020983 0.00034523 0.00049726
0.00417299 0.01000887 -0.00499923
-10.02625508 -3.01883963 0.82775074
0.00091168 -0.00044764 -0.00032773
0.00106382 -0.00520704 0.00968814
-7.84149038 -3.91366830 2.87443293
-0.00029520 0.00063704 0.00125094
-0.04633056 0.02722001 -0.00937734
0.11883992 -0.17647937 7.22476948
0.00051943 -0.00024389 0.00108062
-0.00527431 -0.00665244 0.00178016
2.01279888 0.99642111 8.89559653
0.00001165 0.00040744 -0.00064099
0.00327840 0.00331490 0.01156925
-31.84935071 0.95573271 2.30327344
-0.00102750 0.00024135 0.00100018
-0.00547662 0.02316963 -0.01097615
-34.13287102 2.69683564 2.30587770
0.00062024 0.00083595 -0.00013178
-0.02624823 0.00038261 0.00109679
12.54751430 12.81198492 -15.17866737
-0.00055773 -0.00054960 -0.00062251
-0.02277071 -0.01969973 -0.02989064
15.58526167 13.30035914 -15.13667174
-0.00022851 -0.00041794 -0.00008670
-0.03697599 -0.00836713 0.01203486
-3.85389477 8.92453882 4.54829071
-0.00022143 -0.00028587 0.00039593
-0.00416498 -0.01329333 0.00958262
-2.95755793 6.96092456 2.50047290
-0.00141008 -0.00016142 -0.00013392
-0.02273557 -0.00555836 0.04313369
5.71803525 16.42572005 -10.32396248
0.00034423 -0.00067665 -0.00010887
0.00464280 -0.01001661 -0.03548199
7.48333481 16.94836439 -8.09979513
0.00020195 -0.00009721 0.00043839
0.01033339 0.00058377 -0.00050482
8.04005268 7.21957807 -22.60472275
0.00040438 -0.00006539 0.00012785
-0.01810763 -0.00232585 0.01813878
8.18186559 7.39168669 -19.72809569
-0.00011154 0.00035595 -0.00009314
-0.01145420 0.00294421 -0.00694800
21.92733404 17.84052865 -2.04965391
-0.00016475 0.00038439 -0.00088859
-0.00129592 -0.00538198 0.00094416
24.47150745 18.36564009 -3.41744122
0.00064403 -0.00040995 -0.00004499
-0.00816594 -0.01042462 0.00566244
1.04168320 11.12388063 -21.76456259
0.00101588 0.00045738 0.00105068
-0.00340940 -0.00163528 -0.00352776
0.98449336 14.18120802 -22.28418678
-0.00072965 0.00011809 0.00054967
0.00088365 -0.01052079 -0.00434519
9.90788225 -5.55794965 -1.51767857
-0.00021439 0.00048735 -0.00008772
0.01339742 0.05227988 -0.00824735
8.70841719 -2.70317324 -1.57677273
0.00104159 0.00053082 -0.00164680
0.01282205 -0.00835675 -0.00963511
-19.01180754 -4.14476281 4.99218775
0.00048931 0.00013354 0.00011571
0.00258815 0.01698886 0.00843325
-17.41672893 -3.16150800 2.97942150
0.00057703 0.00017464 0.00073480
0.00714985 0.00829419 -0.00430263
-15.24035557 -0.02259128 16.83447922
-0.00067105 0.00042397 0.00009306
0.00226257 0.00023055 0.00435774
-14.00693342 1.42031439 18.95515102
0.00033986 -0.00100558 -0.00003790
0.00192396 0.00133753 0.00168036
3.14673853 3.51904089 -4.56057241
0.00035131 -0.00064653 0.00016306
-0.00363055 0.01214747 -0.00484138
3.90615384 1.27734006 -3.07727351
-0.00143717 -0.00037695 -0.00092990
0.00872878 -0.00599718 0.00491748
22.91531369 -9.36043953 -10.18893123
-0.00026066 0.00008000 -0.00001938
-0.00635299 -0.01569207 -0.01060284
24.94463431 -7.94021973 -8.74332876
0.00046049 0.00002214 0.00069125
0.01926625 0.00373888 0.01145904
2.06030225 -8.24880075 4.96302197
0.00083335 -0.00109733 0.00006014
-0.00595743 -0.00648936 0.00633711
2.75675366 -7.39194238 7.57776324
0.00007309 -0.00073013 0.00139998
0.01920995 0.00354105 0.02052800
-4.21287848 -2.93106018 -17.55193351
0.00032729 0.00007695 0.00052205
-0.00365565 -0.02616988 0.00867392
-4.78935445 -0.21534012 -17.07854367
-0.00012839 -0.00031319 0.00091027
-0.00404962 -0.00810085 -0.00997866
2.28255721 4.82664362 -12.03177937
0.00006089 -0.00051082 -0.00033748
-0.01381246 0.01879777 -0.03077957
2.12189952 3.47868901 -9.65531118
0.00049605 0.00009818 0.00105214
0.00401981 0.00388548 0.00443860
-1.18753715 15.83924806 13.53992393
0.00111035 0.00115491 -0.00017454
0.00484843 -0.00199647 -0.01517440
-2.48869064 17.05473457 15.62678117
0.00074004 -0.00001639 0.00097219
-0.01114158 0.00723163 0.00843392
-1.74006008 0.85452016 -5.67865994
0.00049806 0.00037564 0.00009602
-0.01070288 0.02313853 -0.01912196
-3.02045330 0.84297328 -8.41230599
0.00043807 -0.00025497 -0.00070226
0.01175088 0.02546524 0.02344904
-7.99184757 -2.88406343 -5.18430798
-0.00125753 -0.00021490 -0.00040891
-0.01256870 -0.01358479 -0.00255017
-7.31568995 -0.37428956 -4.15922512
-0.00069017 -0.00027505 0.00008041
-0.00149034 0.01951253 0.00565583
1.45374713 28.63725246 5.82581380
0.00074325 -0.00017098 -0.00068846
-0.00788966 -0.00680441 0.01068297
-1.39210844 28.39550924 6.38231523
-0.00134471 0.00067675 0.00048339
0.02673477 -0.00717850 0.01272433
8.23914854 -9.18933077 -2.05441366
0.00024251 0.00017361 -0.00033449
0.01666787 0.00488147 -0.00270503
9.91315165 -9.90140741 0.14688698
0.00013892 -0.00049904 -0.00056725
0.00715986 -0.00659948 0.02880573
-5.49120716 -0.13802914 8.81481710
-0.00075136 0.00101826 -0.00020957
-0.01714730 -0.00052376 0.00996211
-8.40384364 -0.48231291 7.99805512
-0.00056434 0.00062935 0.00016027
0.00675713 -0.00346982 0.00809619
19.97850948 11.39589642 7.51549051
0.00067501 -0.00023040 0.00029926
-0.03024972 0.00128508 -0.00612503
19.55833699 12.83551247 5.20905983
0.00058457 0.00072179 0.00053469
-0.00114767 0.01168246 -0.00906197
-3.44028945 -2.92864568 -21.78247559
0.00045674 0.00205057 -0.00003077
0.00238677 -0.00089932 -0.00520992
-4.54715897 -3.32273886 -24.39688128
-0.00059121 0.00073734 0.00110505
-0.01396063 0.00274676 -0.01372781
-12.52393162 9.17345540 9.32647758
0.00041824 0.00049234 -0.00017436
-0.00434670 -0.00578520 0.01046138
-13.11034870 8.96664055 6.60931699
0.00000723 -0.00049860 0.00010172
-0.00129674 -0.00030733 -0.00882628
-12.62128394 7.39059900 -4.24217804
0.00013707 0.00016847 -0.00080774
-0.00243794 0.00069725 -0.01071488
-11.41022645 9.43520338 -2.42418218
0.00008762 -0.00009907 -0.00036104
-0.01186207 -0.03398167 -0.00346584
-4.69212093 -17.16782787 20.28301907
0.00075607 0.00021315 0.00004203
-0.01038930 -0.00386775 -0.00770508
-1.86986329 -17.34007510 19.94292522
-0.00022493 0.00078281 -0.00038828
0.01935181 -0.01582506 -0.01062167
-3.43579288 5.55049045 -6.85712113
-0.00092579 0.00006960 0.00031327
0.00629794 -0.01080598 -0.00462920
-3.49529427 8.33197780 -7.06644555
-0.00008949 0.00030673 0.00048743
-0.01581177 0.06010345 0.03772569
-20.96933569 28.43569577 -0.07173080
-0.00045565 -0.00030221 0.00042394
-0.00250991 0.00919351 0.01327015
-18.78383317 29.15116325 1.62536506
-0.00048410 0.00030900 0.00037006
-0.03946310 0.01659873 -0.00358167
8.89399614 2.60331741 6.00822742
0.00005903 -0.00107593 -0.00099256
0.00233829 0.01018847 0.02523249
8.99870694 4.91010669 7.81146693
0.00019573 0.00066628 0.00033357
-0.01110515 0.02822051 0.01045629
6.99872138 14.57825910 -15.07875901
-0.00020087 0.00050929 0.00126385
-0.00746110 -0.00184028 0.02650344
5.97453619 12.69252467 -13.20266251
0.00104657 0.00068714 -0.00030511
-0.01406135 -0.07346933 0.00477051
13.25941941 5.28454406 -3.53116991
-0.00040952 0.00062568 0.00037299
-0.00210410 0.00507852 -0.01238876
13.62627617 4.12543792 -1.04572103
-0.00023289 -0.00025696 -0.00017903
0.00908875 -0.02258383 -0.03953396
-5.57318501 9.58652381 0.28102385
0.00073201 -0.00067868 0.00009503
-0.01239436 0.02193586 -0.01582169
-7.90569704 11.35262919 0.42768933
-0.00099487 -0.00170978 -0.00075152
0.00094668 -0.00451453 -0.00296288
4.51600923 12.74244948 2.15689229
0.00034519 -0.00025926 -0.00002751
0.01198140 0.00250450 0.00870058
7.21166458 11.88959821 2.76748081
-0.00038881 0.00087280 -0.00083273
0.04724365 -0.04896924 -0.01229577
20.33544322 -12.96148383 -10.61794608
-0.00007895 0.00010515 0.00068708
0.02537233 0.00357170 -0.00930072
22.21642923 -13.65723890 -12.82789741
-0.00061825 -0.00050213 -0.00057487
-0.00045376 0.01396846 0.01778622
17.81166923 -6.39624196 1.97712751
0.00057875 0.00100264 0.00129318
0.01527181 0.00785110 -0.02460457
15.94519052 -8.06491803 3.20218940
0.00043203 -0.00053610 0.00030133
0.00343003 0.03015324 0.00797298
13.97922668 8.47836383 10.73840875
0.00018436 -0.00056412 0.00034548
0.02111424 -0.01940273 -0.01063215
16.39002175 6.83823068 11.34327429
0.00037901 -0.00054550 -0.00096980
-0.00034273 0.00025821 0.00151768
2.88968764 -13.45615306 14.75909465
-0.00052642 0.00146787 0.00046778
-0.00305100 0.00072106 0.01663146
3.84255682 -12.44760131 17.38929493
-0.00074032 0.00066823 -0.00110147
0.00721637 0.01888197 0.00255437
-3.30170678 -2.46584174 -10.20689651
-0.00026698 -0.00038395 -0.00032741
-0.00221422 -0.02328863 0.01307311
-1.84120511 -0.36732540 -11.57539872
-0.00001061 -0.00020753 0.00002565
-0.02902948 -0.00276253 0.01181604
14.86672614 -7.67654132 -11.17994040
-0.00027979 0.00033878 -0.00015163
-0.01073898 0.00639993 -0.05488337
16.74762695 -6.88699802 -8.95486191
0.00054202 -0.00000680 0.00103985
-0.00939092 -0.00948326 -0.01175172
6.93721930 -2.79770361 6.23867425
0.00089857 -0.00014967 -0.00057016
0.02502705 -0.00109189 -0.01960496
9.87918947 -2.88474024 4.87702221
0.00088172 -0.00076290 -0.00033433
-0.01801286 -0.00390907 0.00772151
-21.81799490 1.61110046 22.82768191
0.00057143 -0.00100237 0.00022730
0.00200663 0.00185365 -0.01510896
-22.60388775 0.53865526 25.33210229
-0.00011432 0.00046287 -0.00032933
-0.00685851 -0.00492669 0.00060283
25.47075572 -3.00512048 -7.61773260
0.00041532 -0.00006500 -0.00052490
0.00431437 -0.00225481 -0.00409110
23.67189493 -0.67306112 -7.29094132
-0.00007073 0.00067449 0.00078803
0.00038303 -0.00387412 0.00017486
11.03195753 -12.71158259 -8.51620155
0.00109972 -0.00068209 0.00051353
-0.00769957 -0.00482807 0.00192450
12.59607801 -10.36560378 -9.47835943
0.00008511 0.00070754 0.00072175
0.00146973 -0.00282477 -0.00248152
-5.47560261 -10.46606169 18.44211173
0.00093150 -0.00003235 -0.00008885
0.00368817 0.00415946 -0.02837168
-6.20175203 -9.72430029 15.60231048
-0.00017944 -0.00003770 -0.00132075
-0.02385851 0.00713740 -0.01502927
8.66522305 0.90698576 -31.64443483
0.00024206 0.00045538 -0.00059989
0.00588043 0.00734225 0.00952710
6.37316749 2.46555685 -31.07845926
0.00060135 -0.00013712 -0.00043198
-0.00602742 0.00399511 -0.00237685
11.28737652 18.49608821 13.58196001
0.00069810 -0.00116739 -0.00021328
0.00082721 0.02607028 -0.02288397
12.12748126 16.05566755 14.57146121
-0.00052759 -0.00038465 0.00013336
-0.00224635 -0.00612763 0.00087328
30.47261267 5.52705101 -8.23202539
0.00056061 -0.00025880 0.00034719
0.00372476 0.00232184 0.00310280
29.14399357 7.88425333 -7.23276680
-0.00044382 0.00003909 0.00002577
-0.07675110 0.02383496 0.01898559
-8.39670916 4.94113950 5.66001618
-0.00009271 -0.00018698 -0.00008480
0.00631452 0.00471635 0.00940545
-10.76888962 10.13237171 3.47806836
0.00004397 0.00004405 -0.00014230
0.00207939 -0.00284247 0.00047885
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08110011
0.31189375
415.58278531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3664588389 (a.u.)
total exchange computation time: 2.6927318573 s
-154.2944401992
-931.39365953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3657653396 (a.u.)
total exchange computation time: 2.6962628365 s
-154.3006047660
Anderson extrapolation: theta=1.3511579573 (1.3511579573)
-931.39392887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.689 s
total exchange = -52.3647449891 (a.u.)
total exchange computation time: 2.6920568943 s
-154.3095486116
Anderson extrapolation: theta=0.0538075461 (0.0538075461)
-931.39409040
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.690 s
total exchange = -52.3646247729 (a.u.)
total exchange computation time: 2.6924500465 s
-154.3105888239
Anderson extrapolation: theta=2.0339998547 (2.0000000000)
-931.39409678
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3643690697 (a.u.)
total exchange computation time: 2.6934239864 s
-154.3127960133
Anderson extrapolation: theta=0.2574239836 (0.2574239836)
-931.39410383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3643050305 (a.u.)
total exchange computation time: 2.6929891109 s
-154.3133459686
Anderson extrapolation: theta=1.7611567085 (1.7611567085)
-931.39410527
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.690 s
total exchange = -52.3642176296 (a.u.)
total exchange computation time: 2.6958050728 s
-154.3140921921
Anderson extrapolation: theta=0.3148090462 (0.3148090462)
-931.39410682
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3642154145 (a.u.)
total exchange computation time: 2.6939890385 s
-154.3141075341
Anderson extrapolation: theta=1.1986724260 (1.1986724260)
-931.39410718
-255.984897 122.183670 -35.866355
566.120537 1066.950175 -419.174850
310.135640 1189.133845 -455.041205
1310.452561
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1407247161
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3642312582 (a.u.)
total exchange computation time: 2.6928908825 s
678.64813060
-1083.60766211
89.90912229
-389.17715247
-174.80231439
78.23154245
551.60419304
0.00000000
-931.39410735
5.64654746 -31.16962709 -3.83367390
-0.00001126 -0.00012119 0.00015772
0.00261321 -0.00810795 -0.01104645
-11.74474122 -1.03317901 -11.86676134
-0.00027839 0.00007429 0.00000650
0.00954925 0.02405871 0.00814573
-38.05139108 2.32434246 3.43028596
0.00011337 -0.00004512 -0.00013877
0.01107919 0.00418506 -0.00934087
-9.45443259 -2.77933940 2.60075217
-0.00064379 -0.00005049 -0.00028928
0.03650976 -0.01505361 0.00430140
0.61120214 -0.17025037 8.98470067
0.00016746 -0.00021425 -0.00005860
0.01265317 0.00434923 -0.00868152
-32.40167989 2.75559812 1.88647609
-0.00005872 0.00004612 -0.00029848
0.04030387 -0.03100289 0.01105226
13.89224388 13.52317264 -14.30806719
0.00037514 0.00034976 -0.00015279
0.04552811 0.02568966 0.01608815
-3.90550329 7.06741593 4.21076587
-0.00029110 0.00010514 -0.00041681
0.02346638 0.00888743 -0.04526081
5.73228249 16.69529511 -8.57143016
0.00012760 0.00004249 0.00026726
-0.00896638 0.00556847 0.03535566
6.89582303 7.06303583 -21.03706493
-0.00029365 0.00039697 0.00000268
0.02953895 -0.00358170 -0.01209977
23.58904704 17.08871503 -2.37215839
-0.00047000 0.00002083 0.00037013
0.01544233 0.01110741 -0.00922953
1.34148335 12.80582422 -21.10920059
0.00003660 0.00012030 0.00014695
0.00507156 0.01609415 0.01115997
10.31030506 -3.62462967 -1.79168441
0.00014890 0.00008502 0.00021965
-0.01623271 -0.04877515 0.01513784
-17.98211248 -2.63214554 4.63183832
0.00028692 -0.00008422 0.00015618
-0.02302033 -0.02457217 -0.00115539
-15.22627361 0.10453700 18.66803984
-0.00017138 0.00016277 -0.00020183
0.00119427 -0.00935755 0.00147901
2.80144988 2.72452378 -2.97708721
-0.00000545 0.00008678 0.00018806
-0.02041267 0.00752717 0.00834135
23.37464768 -7.72455466 -9.55966769
-0.00000546 -0.00025967 -0.00018886
-0.00093606 0.00467443 -0.00331210
1.36903391 -8.02381015 6.65703538
0.00009228 0.00009636 0.00017187
-0.01188968 0.00172926 -0.03062631
-3.85009223 -1.32801848 -18.24995834
0.00022570 0.00049869 0.00013260
0.01334698 0.02595788 -0.00112327
3.37069149 4.24630067 -10.75516747
-0.00039512 0.00013308 0.00018932
0.00682009 -0.02319554 0.03018232
-2.68035513 16.92235174 13.82796583
-0.00001940 -0.00021108 0.00004263
-0.00189089 0.00242436 0.01717053
-2.20518945 2.06158483 -7.05367483
-0.00019994 0.00009403 0.00001029
0.00257282 -0.04735314 0.00491231
-6.63724407 -2.02691153 -4.36869164
0.00009188 -0.00002329 -0.00006069
0.00326567 -0.00705792 -0.00562207
0.34352114 28.16714227 7.24601811
0.00011253 0.00008315 0.00028412
-0.02170778 0.01546897 -0.03403327
10.02847666 -9.10856682 -1.44928037
-0.00000073 -0.00003401 0.00001371
-0.01659569 0.00593072 -0.03046896
-6.81315392 0.32485769 7.58698829
0.00001091 0.00009816 0.00009887
0.00086432 0.01288062 -0.01348976
18.55905683 11.76485650 6.28112253
0.00001804 -0.00014611 0.00017703
0.04406067 -0.00735930 0.01598086
-3.26260058 -3.99160792 -23.28951391
0.00006811 -0.00014038 -0.00019677
0.00624603 0.01189457 0.03047588
-13.65311802 8.24755173 8.20511325
-0.00000060 0.00007334 0.00032304
0.00316325 0.00944763 0.00340501
-11.92644669 7.57503820 -2.56473334
-0.00042712 -0.00030880 -0.00011241
0.01259040 0.03763799 0.00244782
-3.16021781 -16.20884554 20.40139570
-0.00049042 -0.00030028 0.00005255
-0.00373493 0.02711619 0.01733182
-3.12591466 6.93172379 -7.99764830
-0.00034679 -0.00010653 0.00013521
0.00337212 -0.03632992 -0.03136357
-20.69635685 29.51143422 1.41454279
0.00004850 0.00008036 -0.00016594
0.04548829 -0.01499738 -0.01070433
9.76963636 3.30677047 7.53547994
0.00012562 -0.00030474 0.00002992
0.00105466 -0.03493657 -0.03717762
6.35883813 14.35842887 -13.30819702
0.00007829 0.00037694 0.00040691
0.02160012 0.07879480 -0.02865134
14.16397069 3.83681000 -2.89906302
-0.00004700 -0.00027075 0.00015338
-0.00972051 0.01554667 0.05075663
-6.34702168 11.10150115 -0.52451632
0.00017425 -0.00002137 0.00009692
0.01192107 -0.02280436 0.02179727
6.05488747 13.08141981 3.18399212
0.00025177 0.00024864 -0.00006199
-0.06412947 0.05293804 0.01003852
21.88032692 -12.32001819 -11.50784317
0.00019928 0.00025186 -0.00032631
-0.02519158 -0.02119862 -0.00798092
16.67619792 -6.32556499 3.35484030
0.00006808 -0.00005206 -0.00004527
-0.02514333 -0.03675509 0.01357024
15.25069175 7.25765338 9.97158786
0.00012197 -0.00007014 -0.00018836
-0.02128057 0.01383683 0.00192239
3.11192518 -13.85469453 16.55207102
-0.00023675 -0.00008156 -0.00011389
-0.00323700 -0.01920089 -0.02205679
-3.56854747 -0.75989012 -10.72296212
0.00002358 -0.00042275 -0.00007444
0.02849444 0.02216233 -0.02964600
15.29823741 -7.96711040 -9.51484769
0.00024172 0.00006978 -0.00012745
0.01352520 0.00784447 0.06538265
8.75992708 -3.27604134 6.32701400
0.00024284 -0.00038914 0.00008980
0.01102092 -0.00453723 0.00436701
-21.36184110 1.61347090 24.56194010
-0.00028869 -0.00002634 -0.00013472
0.00809778 0.00170595 0.01429778
24.92244924 -1.70344255 -6.45591401
-0.00007671 -0.00002557 -0.00009789
-0.00051657 0.00210593 0.00072712
11.60349337 -11.82085922 -9.99380657
0.00016563 -0.00010080 -0.00012860
0.01047262 0.01139404 -0.00147386
-4.87516779 -10.23389148 16.65399639
-0.00001246 -0.00005460 -0.00000693
0.02083414 -0.01629485 0.03882970
8.03969237 2.16777236 -30.39573081
0.00030558 0.00046969 -0.00042383
-0.00002593 -0.01735330 -0.01728335
10.82338397 17.31296701 14.82995058
0.00007700 -0.00043160 -0.00015337
0.00127358 -0.01552483 0.01385300
30.66536797 7.28691478 -7.69648385
0.00000959 -0.00007039 0.00003872
0.06837545 -0.02606603 -0.00850917
5.71504743 -30.08728472 -5.29173692
-0.00021857 -0.00036844 0.00073476
0.00977124 0.00397668 -0.01189987
4.06838032 -30.66482814 -3.16536153
-0.00063667 -0.00061162 -0.00017059
-0.02158840 0.00720567 0.01868071
-12.30686959 -2.33681735 -13.07006675
-0.00006556 0.00080386 -0.00069624
-0.00488739 0.00872958 -0.00963546
-11.78509153 0.64948409 -12.77489320
0.00060903 -0.00031931 0.00057645
-0.00548142 -0.02463722 0.00808590
-37.94384956 3.59564064 2.05606700
0.00086733 0.00103247 -0.00034782
-0.01346644 -0.00871972 0.01423488
-39.63229433 1.37713828 3.33625414
-0.00019257 0.00038697 0.00047534
0.00427736 0.01041877 -0.00573275
-10.01254732 -3.02571378 0.82313161
0.00091373 -0.00046887 -0.00029204
-0.00006093 -0.00518638 0.00778495
-7.84733810 -3.90327862 2.89290968
-0.00048469 0.00074735 0.00121077
-0.04642832 0.02677833 -0.01028467
0.12646977 -0.18034160 7.24103328
0.00049156 -0.00027233 0.00106890
-0.00836888 -0.00726992 -0.00751740
2.01307416 1.00263424 8.88633616
0.00002166 0.00041779 -0.00059199
0.00162142 0.00175252 0.01241772
-31.86493106 0.96006299 2.31793973
-0.00104764 0.00033377 0.00095408
-0.00438152 0.02206836 -0.01158814
-34.12437180 2.70938659 2.30393459
0.00050192 0.00083848 -0.00012500
-0.03167074 0.00085691 0.00222036
12.53845053 12.80313733 -15.18892092
-0.00062989 -0.00061913 -0.00073045
-0.01255243 -0.01433775 -0.02294805
15.58070097 13.29383371 -15.13760339
-0.00037318 -0.00045214 -0.00003986
-0.03384084 -0.00837428 0.01089088
-3.85734379 8.91984348 4.55452329
-0.00023792 -0.00033628 0.00043419
-0.00390707 -0.01138532 0.00914558
-2.97940576 6.95833290 2.49978590
-0.00149809 -0.00018354 0.00003600
-0.02034588 -0.00526864 0.04004188
5.72334104 16.41526340 -10.32668277
0.00036365 -0.00071609 -0.00024382
0.00485958 -0.00928893 -0.03057790
7.48668078 16.94692405 -8.09323477
0.00024257 -0.00009502 0.00043568
0.00954904 0.00049216 -0.00082037
8.04556355 7.21852598 -22.60224914
0.00032830 -0.00007480 0.00020188
-0.01913450 -0.00228282 0.01809775
8.17984148 7.39711614 -19.72970575
-0.00015890 0.00036806 -0.00012082
-0.01172744 0.00298256 -0.00660038
21.92482308 17.84612958 -2.06295387
-0.00017400 0.00036429 -0.00088360
-0.00323376 -0.00445920 0.00149981
24.48091766 18.35917144 -3.41794262
0.00060714 -0.00045619 -0.00001828
-0.00989080 -0.01220910 0.00741444
1.05681699 11.13069126 -21.74891047
0.00099891 0.00043965 0.00103080
-0.00489780 -0.00704564 -0.00620465
0.97357574 14.18265702 -22.27607484
-0.00072609 0.00007563 0.00053045
0.00085543 -0.01026413 -0.00506299
9.90507695 -5.54903734 -1.51924705
-0.00016036 0.00069819 -0.00012067
0.01304981 0.05092489 -0.00788165
8.72443388 -2.69546695 -1.60176991
0.00108395 0.00050151 -0.00168408
0.00791539 -0.00599096 -0.00861486
-19.00438854 -4.14223916 4.99418178
0.00049747 0.00019928 0.00015100
0.00140679 0.01519041 0.00884206
-17.40785444 -3.15863423 2.99031160
0.00060850 0.00020631 0.00070995
0.00825563 0.00720959 -0.00785938
-15.25035204 -0.01622465 16.83600865
-0.00066148 0.00042444 0.00010647
0.00242195 -0.00000103 0.00220438
-14.00177652 1.40527163 18.95463394
0.00035269 -0.00099426 -0.00002993
0.00435696 0.00420553 0.00222291
3.15189686 3.50971524 -4.55827487
0.00033635 -0.00059342 0.00013994
-0.00369095 0.01384928 -0.00647486
3.88486382 1.27150211 -3.09107134
-0.00139821 -0.00040711 -0.00090775
0.01033875 -0.00876702 0.00592682
22.91120906 -9.35972037 -10.18954682
-0.00028682 0.00001179 -0.00006369
-0.00644948 -0.01769616 -0.01108809
24.95213199 -7.93977304 -8.73260883
0.00052599 0.00003831 0.00073064
0.01279704 0.00417527 0.00782111
2.07261987 -8.26545954 4.96411830
0.00080709 -0.00112157 0.00009381
-0.00689406 -0.00537632 0.01014345
2.75843863 -7.40278580 7.59939194
0.00014641 -0.00071818 0.00147876
0.01667955 0.00230774 0.01803594
-4.20808113 -2.93070789 -17.54383702
0.00031520 -0.00002206 0.00055258
-0.00226407 -0.02229698 0.00627066
-4.79140443 -0.22028614 -17.06519539
-0.00014384 -0.00034552 0.00086753
-0.00351080 -0.00772786 -0.01094271
2.28304733 4.81955736 -12.03778481
0.00000256 -0.00043492 -0.00046211
-0.01473984 0.01835709 -0.03022773
2.12946350 3.48028081 -9.63939313
0.00051062 0.00011494 0.00106842
0.00311090 0.00431492 0.00353102
-1.17073337 15.85651058 13.53684080
0.00112806 0.00114631 -0.00023654
0.00382310 -0.00221502 -0.01517195
-2.47793140 17.05471034 15.64162246
0.00069256 0.00001164 0.00099041
-0.01210247 0.00649027 0.00048450
-1.73291710 0.86086385 -5.67780560
0.00045326 0.00046954 0.00001735
-0.01122926 0.02282653 -0.01938607
-3.01352215 0.83992905 -8.42212127
0.00048613 -0.00015042 -0.00060369
0.01177401 0.02571425 0.02480086
-8.01109562 -2.88770323 -5.19051974
-0.00129225 -0.00026116 -0.00040949
-0.00443004 -0.00905901 0.00226653
-7.32608819 -0.37781736 -4.15784573
-0.00069491 -0.00019628 0.00010371
-0.00083127 0.01904383 0.00575049
1.46465417 28.63447927 5.81581433
0.00070080 -0.00020169 -0.00063485
-0.01289087 -0.00823039 0.01555723
-1.41145985 28.40544056 6.38995599
-0.00122390 0.00064585 0.00053750
0.03240122 -0.00795004 0.01376135
8.24329689 -9.18657708 -2.05951383
0.00030904 0.00019302 -0.00034506
0.01590094 0.00461895 -0.00247350
9.91545489 -9.90909529 0.13926096
0.00016743 -0.00052814 -0.00044553
0.00679602 -0.00764340 0.03077784
-5.50300295 -0.12277133 8.81197884
-0.00081248 0.00101233 -0.00016020
-0.01277525 -0.00237973 0.01420544
-8.41210171 -0.47297897 8.00070728
-0.00053259 0.00061676 0.00019286
0.00878721 -0.00269447 0.00785856
19.98770776 11.39247976 7.51979165
0.00054715 -0.00022435 0.00027135
-0.03233896 0.00167555 -0.00753317
19.56707033 12.84669734 5.21680243
0.00057397 0.00076335 0.00050332
-0.00404153 0.00865994 -0.00629192
-3.43336515 -2.89791467 -21.78309683
0.00046967 0.00203434 -0.00006479
0.00394001 -0.00704760 -0.01144365
-4.55645490 -3.31159460 -24.38072618
-0.00064790 0.00074649 0.00104667
-0.01378790 0.00173034 -0.01484947
-12.51779115 9.18066316 9.32418273
0.00039902 0.00046727 -0.00013223
-0.00506416 -0.00648546 0.01016182
-13.11027996 8.95915206 6.61057233
0.00000169 -0.00049986 0.00006509
-0.00141570 -0.00030627 -0.00910361
-12.61930256 7.39314747 -4.25462244
0.00012832 0.00017085 -0.00084656
-0.00184851 0.00046588 -0.00828954
-11.40927569 9.43267602 -2.42970396
0.00003829 -0.00024036 -0.00037448
-0.01228246 -0.03517970 -0.00311288
-4.68109825 -17.16474909 20.28341340
0.00069600 0.00018589 0.00000930
-0.01901651 -0.00947871 -0.00831672
-1.87264428 -17.32881784 19.93677560
-0.00014143 0.00071458 -0.00043351
0.02152146 -0.01757675 -0.01152013
-3.44948673 5.55120331 -6.85256387
-0.00089973 0.00002631 0.00029331
0.00645883 -0.01038352 -0.00514103
-3.49712116 8.33842052 -7.05797801
-0.00015111 0.00054180 0.00063430
-0.01434919 0.05496426 0.03416737
-20.97624742 28.43144440 -0.06496505
-0.00046524 -0.00026608 0.00047622
-0.00218090 0.00848911 0.01232264
-18.79230400 29.15630690 1.63080624
-0.00064036 0.00037492 0.00035451
-0.03702396 0.01567083 -0.00403363
8.89495323 2.58749073 5.99411222
0.00007263 -0.00102751 -0.00087893
0.00431771 0.01351283 0.03039047
9.00130263 4.92096559 7.81679088
0.00015600 0.00076750 0.00037227
-0.00834544 0.02133075 0.00849022
6.99547965 14.58584200 -15.05898914
-0.00022677 0.00050507 0.00136107
-0.00521808 -0.00022187 0.02108933
5.98980390 12.70058048 -13.20709292
0.00098733 0.00037630 -0.00028395
-0.01493905 -0.07869210 0.00558327
13.25321212 5.29408490 -3.52595466
-0.00041169 0.00063594 0.00032646
0.00104181 -0.00005630 -0.01039115
13.62306134 4.12089154 -1.04961794
-0.00019576 -0.00034933 -0.00033711
0.00908885 -0.02263564 -0.03784664
-5.56258473 9.57701581 0.28196454
0.00067744 -0.00058168 0.00002682
-0.01431793 0.02554487 -0.01756938
-7.92059102 11.32684414 0.41632581
-0.00098640 -0.00172821 -0.00076529
0.00319582 -0.00450765 -0.00377731
4.52155429 12.73863735 2.15674630
0.00039312 -0.00024718 0.00000832
0.01148039 0.00341024 0.00883671
7.20728015 11.90118963 2.75461312
-0.00018581 0.00066423 -0.00088631
0.05212652 -0.05312487 -0.01393501
20.33503650 -12.95979719 -10.60792492
0.00003136 0.00012267 0.00064471
0.02862155 0.00500669 -0.01143904
22.20714153 -13.66434289 -12.83597549
-0.00061954 -0.00044161 -0.00049883
-0.00017789 0.01566119 0.01943874
17.82081849 -6.38096177 1.99577124
0.00064812 0.00103310 0.00118334
0.01868433 0.00705697 -0.02915991
15.95177614 -8.07203561 3.20695365
0.00044820 -0.00040982 0.00033205
0.00448240 0.03166564 0.00706714
13.98263903 8.46930748 10.74326516
0.00026951 -0.00064143 0.00030262
0.02057028 -0.01844040 -0.01035060
16.39569633 6.83005611 11.32877383
0.00038022 -0.00054512 -0.00095970
0.00093804 -0.00007472 0.00342653
2.88169788 -13.43411292 14.76662103
-0.00054064 0.00146794 0.00053101
-0.00390890 -0.00068571 0.01431853
3.83167317 -12.43699929 17.37285119
-0.00071033 0.00074473 -0.00108715
0.00746393 0.01856543 0.00445454
-3.30577931 -2.47231469 -10.21140712
-0.00027547 -0.00048046 -0.00027328
-0.00194319 -0.02395052 0.01342690
-1.84225388 -0.37052307 -11.57465190
-0.00012878 -0.00021948 0.00007350
-0.02881252 -0.00308435 0.01160522
14.86220019 -7.67126345 -11.18389662
-0.00032117 0.00036473 -0.00037033
-0.00951591 0.00630189 -0.05217458
16.75546952 -6.88739067 -8.93962426
0.00050000 -0.00004766 0.00098807
-0.01118058 -0.01051536 -0.01359729
6.95146469 -2.79998209 6.22952113
0.00099327 -0.00015253 -0.00064951
0.02133026 -0.00031061 -0.01923942
9.89186335 -2.89630352 4.87224390
0.00080413 -0.00078038 -0.00029751
-0.01997109 -0.00464617 0.01030199
-21.80936197 1.59612175 22.83062848
0.00057780 -0.00099467 0.00015614
0.00111326 0.00191353 -0.01972555
-22.60581278 0.54544727 25.32718087
-0.00014746 0.00043830 -0.00032262
-0.00936351 -0.00709675 0.00267812
25.47711768 -3.00616459 -7.62573147
0.00043014 -0.00006868 -0.00053810
0.00294362 0.00045460 -0.00236776
23.67084570 -0.66306254 -7.27911551
-0.00006905 0.00065767 0.00078723
0.00044142 -0.00436014 -0.00056465
11.04821739 -12.72196187 -8.50843968
0.00106991 -0.00069806 0.00051417
-0.00689012 -0.00298788 -0.00161164
12.59739976 -10.35507732 -9.46760923
0.00008547 0.00068661 0.00070711
-0.00129405 -0.00741987 -0.00468535
-5.46151707 -10.46641950 18.43990953
0.00094234 -0.00001533 -0.00020110
0.00161728 0.00417056 -0.02657351
-6.20517470 -9.72464700 15.58203871
-0.00026428 -0.00001389 -0.00137002
-0.01767325 0.00451698 -0.00908822
8.66903421 0.91404140 -31.65314118
0.00026645 0.00048576 -0.00055967
0.00605544 0.00753225 0.01015671
6.38200298 2.46362254 -31.08501174
0.00057112 -0.00011895 -0.00044338
-0.00876967 0.00489703 -0.00320431
11.29787336 18.47937626 13.57805958
0.00070187 -0.00105759 -0.00030973
0.00102070 0.02767886 -0.02433060
12.11949854 16.04970998 14.57348837
-0.00053158 -0.00041566 0.00013692
0.00029613 -0.00905201 0.00087192
30.48113589 5.52324021 -8.22672241
0.00057478 -0.00024922 0.00035989
0.00321501 0.00236635 0.00311363
29.13498443 7.88557010 -7.23179841
-0.00074495 0.00013061 0.00009912
-0.07065455 0.02096535 0.01691722
-8.39808294 4.93834750 5.65876950
-0.00009045 -0.00018527 -0.00008143
0.00632640 0.00483456 0.00939980
-10.76822638 10.13302746 3.47593474
0.00004445 0.00004337 -0.00014217
0.00202906 -0.00301964 0.00062054
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08129111
0.31281624
416.81195537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3605443721 (a.u.)
total exchange computation time: 2.7555441856 s
-154.2777558032
-931.39579402
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3599193555 (a.u.)
total exchange computation time: 2.7550170422 s
-154.2833605622
Anderson extrapolation: theta=1.3515401960 (1.3515401960)
-931.39605926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3589917567 (a.u.)
total exchange computation time: 2.7559239864 s
-154.2915426945
Anderson extrapolation: theta=0.0544077211 (0.0544077211)
-931.39621902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.689 s
total exchange = -52.3588758261 (a.u.)
total exchange computation time: 2.7554299831 s
-154.2925417307
Anderson extrapolation: theta=2.0648297416 (2.0000000000)
-931.39622570
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3586275298 (a.u.)
total exchange computation time: 2.7564599514 s
-154.2946697343
Anderson extrapolation: theta=0.2793493138 (0.2793493138)
-931.39623359
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3585598003 (a.u.)
total exchange computation time: 2.7600331306 s
-154.2952417756
Anderson extrapolation: theta=1.6864178879 (1.6864178879)
-931.39623545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3584713034 (a.u.)
total exchange computation time: 2.7569320202 s
-154.2959786452
Anderson extrapolation: theta=0.3507725535 (0.3507725535)
-931.39623762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3584666649 (a.u.)
total exchange computation time: 2.7555301189 s
-154.2960068948
Anderson extrapolation: theta=1.1549585228 (1.1549585228)
-931.39623825
-255.982265 122.198692 -35.900441
566.143164 1066.964363 -419.145954
310.160899 1189.163056 -455.046395
1310.486848
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1411573824
ExchangeOperator: bisection time: 1.690 s
total exchange = -52.3584813305 (a.u.)
total exchange computation time: 2.7570869923 s
678.55626763
-1083.40922715
89.91460878
-389.31237372
-174.78703290
78.12473242
551.60419304
0.00000000
-931.39623869
5.64638859 -31.17147624 -3.83135070
-0.00001075 -0.00012581 0.00015324
-0.00062937 -0.00984613 -0.00638029
-11.74888020 -1.03197188 -11.86663243
-0.00027330 0.00008601 0.00001116
0.01022107 0.02151848 0.00996369
-38.04964777 2.32368184 3.42816842
0.00011940 -0.00004204 -0.00014434
0.01235475 0.00778368 -0.01233284
-9.46394860 -2.78015488 2.59642962
-0.00062483 -0.00005803 -0.00028621
0.03721141 -0.01424193 0.00760832
0.61376283 -0.17344731 8.98378817
0.00017519 -0.00021146 -0.00006080
0.01741806 0.00648618 0.00012536
-32.40240525 2.75617040 1.88204159
-0.00003725 0.00003043 -0.00029293
0.04318766 -0.03001304 0.01051541
13.89804660 13.52851820 -14.31029698
0.00039484 0.00036164 -0.00014595
0.03109418 0.02049554 0.01050943
-3.90977926 7.06902737 4.20433912
-0.00027979 0.00010918 -0.00043879
0.02049258 0.00680010 -0.04021175
5.73416185 16.69595396 -8.56728483
0.00012312 0.00004515 0.00028398
-0.00844433 0.00478848 0.02965775
6.89153221 7.06897660 -21.03707139
-0.00027820 0.00039501 -0.00000361
0.03053330 -0.00403518 -0.01236023
23.58205654 17.08907037 -2.36664211
-0.00046114 0.00002667 0.00036485
0.01901544 0.01157970 -0.01128543
1.34205189 12.80769086 -21.10695322
0.00003955 0.00012978 0.00015352
0.00640327 0.02075998 0.01436987
10.31247599 -3.62354245 -1.78833129
0.00014197 0.00005989 0.00022700
-0.01071449 -0.04897257 0.01343691
-17.97789743 -2.63350356 4.63417656
0.00027519 -0.00009602 0.00015630
-0.02261642 -0.02131543 0.00162045
-15.22883965 0.10694249 18.66501804
-0.00017131 0.00015727 -0.00020071
-0.00094753 -0.01204100 0.00289952
2.80128936 2.72585445 -2.97423417
-0.00001624 0.00009087 0.00019247
-0.02154107 0.00839700 0.00880631
23.37456217 -7.72843165 -9.56251337
-0.00000420 -0.00025689 -0.00018951
0.00583267 0.00614595 0.00077955
1.37037223 -8.02235809 6.65949532
0.00008719 0.00009742 0.00015599
-0.00787967 0.00239226 -0.03111416
-3.84665530 -1.32043795 -18.24797368
0.00023200 0.00051071 0.00013285
0.01118447 0.02075219 0.00209858
3.36479095 4.24820746 -10.75221123
-0.00039135 0.00012133 0.00020463
0.00785181 -0.02251958 0.02936711
-2.68065339 16.91919495 13.82867154
-0.00001987 -0.00020972 0.00005333
0.00006110 0.00285966 0.02444613
-2.20817861 2.06281268 -7.05350150
-0.00019857 0.00006981 0.00001246
0.00275806 -0.04682951 0.00353382
-6.63585321 -2.02728811 -4.36962361
0.00009131 -0.00002770 -0.00006471
-0.00550547 -0.01007810 -0.01002712
0.34512533 28.16844915 7.25014867
0.00010117 0.00009155 0.00026524
-0.02247641 0.01721744 -0.03937629
10.02840166 -9.10905409 -1.44919217
-0.00000888 -0.00003078 -0.00000219
-0.01509923 0.00662546 -0.03136165
-6.81298696 0.32637977 7.58841924
0.00000968 0.00010499 0.00009085
-0.00565116 0.01369877 -0.01767664
18.55949740 11.76263653 6.28383966
0.00004185 -0.00014925 0.00018481
0.04851022 -0.00486147 0.01427472
-3.26155483 -3.99366771 -23.29234786
0.00007073 -0.00013251 -0.00017954
0.00395315 0.01870182 0.03651804
-13.65311475 8.24868829 8.20997194
0.00000126 0.00007835 0.00032486
0.00406277 0.01002044 0.00368582
-11.93280498 7.57055140 -2.56641004
-0.00042076 -0.00028930 -0.00011193
0.01215658 0.03818906 -0.00058357
-3.16758850 -16.21324509 20.40225075
-0.00049043 -0.00028465 0.00006181
0.00368920 0.03366314 0.01869982
-3.13110346 6.92998576 -7.99574119
-0.00034560 -0.00012338 0.00012045
0.00126273 -0.02920326 -0.02601680
-20.69545389 29.51258176 1.41201233
0.00007101 0.00007314 -0.00017101
0.04204800 -0.01307859 -0.00901149
9.77152473 3.30206454 7.53578540
0.00012497 -0.00032146 0.00001022
-0.00356431 -0.03006534 -0.03943178
6.36009579 14.36438686 -13.30220390
0.00008871 0.00041717 0.00039372
0.01891975 0.07766768 -0.02262903
14.16322821 3.83280867 -2.89656647
-0.00005272 -0.00026150 0.00017826
-0.01252583 0.02043923 0.04598210
-6.34436200 11.10109269 -0.52297844
0.00018020 -0.00003378 0.00010871
0.01124928 -0.02547991 0.02406184
6.05841669 13.08535360 3.18310100
0.00021847 0.00027602 -0.00005659
-0.06538337 0.05353974 0.01096865
21.88321899 -12.31632211 -11.51276854
0.00018561 0.00024027 -0.00033026
-0.02799601 -0.02387572 -0.00738023
16.67712215 -6.32648773 3.35421353
0.00005429 -0.00007086 -0.00003716
-0.02848890 -0.03635301 0.01800027
15.25243926 7.25665468 9.96876986
0.00011097 -0.00006326 -0.00018798
-0.02148850 0.01291113 -0.00044471
3.10836147 -13.85599202 16.55027755
-0.00023811 -0.00009084 -0.00012494
-0.00207095 -0.01688262 -0.02089115
-3.56808392 -0.76614582 -10.72419307
0.00003806 -0.00041125 -0.00008952
0.02783547 0.02255272 -0.02901255
15.30191541 -7.96603337 -9.51650727
0.00024861 0.00007411 -0.00009468
0.01324779 0.00897181 0.06204545
8.76361219 -3.28189600 6.32837788
0.00025003 -0.00039151 0.00009141
0.01694537 -0.00464398 0.00189149
-21.36614027 1.61308237 24.55997444
-0.00028375 -0.00002492 -0.00012682
0.01113622 0.00383720 0.01644244
24.92129666 -1.70381799 -6.45737957
-0.00007660 -0.00002506 -0.00009778
0.00093636 -0.00011462 -0.00027880
11.60601825 -11.82232732 -9.99574128
0.00017146 -0.00009435 -0.00012793
0.01218040 0.01371451 0.00407759
-4.87527428 -10.23477334 16.65404223
-0.00000286 -0.00006229 0.00001074
0.01649793 -0.01360865 0.02987708
8.04427599 2.17475072 -30.40215486
0.00030611 0.00046052 -0.00043259
0.00206499 -0.01830229 -0.01678289
10.82454389 17.30643313 14.82770351
0.00007706 -0.00043898 -0.00014607
-0.00105269 -0.01316158 0.01451143
30.66577562 7.28575844 -7.69593582
0.00004252 -0.00008270 0.00003517
0.05966028 -0.02180912 -0.00530979
5.71206824 -30.09268940 -5.28108021
-0.00017773 -0.00034627 0.00067822
0.01022231 0.00687316 -0.01577624
4.05816878 -30.67378161 -3.16734801
-0.00071934 -0.00058426 -0.00009606
-0.01888263 0.00618615 0.01780543
-12.30800280 -2.32449201 -13.08080563
-0.00008639 0.00083707 -0.00073610
-0.00530716 0.00753077 -0.00987669
-11.77612411 0.64393941 -12.76599865
0.00058597 -0.00041271 0.00060605
-0.00580383 -0.02108208 0.00640056
-37.93125225 3.61086050 2.05128593
0.00080989 0.00098915 -0.00028220
-0.01465053 -0.01248470 0.01788712
-39.63505181 1.38326203 3.34320857
-0.00017521 0.00043006 0.00045055
0.00422251 0.01067467 -0.00640018
-9.99884330 -3.03290579 0.81898958
0.00091127 -0.00049001 -0.00026420
-0.00114076 -0.00515895 0.00584373
-7.85603123 -3.89124781 2.91075612
-0.00067310 0.00085494 0.00116725
-0.04579489 0.02588704 -0.01101824
0.13358672 -0.18464938 7.25683637
0.00045103 -0.00030324 0.00101865
-0.01147174 -0.00786024 -0.01707950
2.01344881 1.00895477 8.87783682
0.00002488 0.00042167 -0.00053970
-0.00004787 0.00014539 0.01317943
-31.88077993 0.96574575 2.33189583
-0.00106308 0.00042072 0.00090584
-0.00317786 0.02049333 -0.01202547
-34.11781356 2.72199005 2.30212756
0.00036399 0.00084310 -0.00011418
-0.03584252 0.00140441 0.00307958
12.52861747 12.79341103 -15.20058087
-0.00066020 -0.00066644 -0.00080979
-0.00228463 -0.00882252 -0.01588707
15.57406629 13.28679504 -15.13786758
-0.00050292 -0.00048657 0.00000117
-0.02966995 -0.00848077 0.00919648
-3.86103227 8.91445038 4.56131638
-0.00025330 -0.00037849 0.00047063
-0.00362401 -0.00927786 0.00869116
-3.00250051 6.95541835 2.50155291
-0.00157525 -0.00020454 0.00019103
-0.01742728 -0.00501080 0.03584440
5.72894465 16.40423748 -10.33127706
0.00038391 -0.00075208 -0.00035641
0.00506112 -0.00832815 -0.02453368
7.49061196 16.94551388 -8.08672469
0.00027953 -0.00009326 0.00043157
0.00854217 0.00036910 -0.00119016
8.04990174 7.21733398 -22.59866638
0.00024856 -0.00008392 0.00027505
-0.01989964 -0.00218018 0.01771908
8.17709864 7.40272838 -19.73172032
-0.00020690 0.00038044 -0.00014665
-0.01176749 0.00308077 -0.00604153
21.92211394 17.85145723 -2.07616190
-0.00019105 0.00034788 -0.00087645
-0.00510852 -0.00357192 0.00199816
24.48972171 18.35195454 -3.41798961
0.00056367 -0.00050899 0.00001505
-0.01139075 -0.01363854 0.00890138
1.07165062 11.13707009 -21.73363862
0.00097609 0.00040015 0.00100031
-0.00627397 -0.01228957 -0.00871840
0.96271054 14.18347697 -22.26827318
-0.00072274 0.00003444 0.00050824
0.00078815 -0.00990171 -0.00581306
9.90307141 -5.53700405 -1.52129857
-0.00010828 0.00090137 -0.00015188
0.01244261 0.04853500 -0.00739795
8.74093568 -2.68812782 -1.62729507
0.00110583 0.00048230 -0.00171746
0.00279514 -0.00341637 -0.00772551
-18.99688331 -4.13878454 4.99671771
0.00050036 0.00025686 0.00018798
0.00000555 0.01299522 0.00926025
-17.39847399 -3.15531862 3.00072002
0.00064427 0.00023353 0.00067097
0.00925623 0.00611200 -0.01122237
-15.26020009 -0.00985808 16.83767317
-0.00065132 0.00042399 0.00011087
0.00255516 -0.00021861 -0.00004894
-13.99635260 1.39048660 18.95425310
0.00037522 -0.00097167 -0.00001982
0.00667074 0.00685461 0.00272839
3.15682898 3.50123836 -4.55637414
0.00032110 -0.00053384 0.00011093
-0.00377457 0.01531677 -0.00772698
3.86420743 1.26512686 -3.10450594
-0.00135352 -0.00044765 -0.00088164
0.01153910 -0.01107736 0.00685358
22.90670916 -9.36008574 -10.19084196
-0.00031297 -0.00006337 -0.00010946
-0.00635142 -0.01909486 -0.01131628
24.96041396 -7.93907047 -8.72140957
0.00056474 0.00005619 0.00075484
0.00617312 0.00457899 0.00402638
2.08451498 -8.28244783 4.96583628
0.00077729 -0.00114123 0.00014220
-0.00769500 -0.00424568 0.01354469
2.76114583 -7.41348779 7.62212599
0.00020788 -0.00071187 0.00154612
0.01341073 0.00078036 0.01493604
-4.20342254 -2.93172210 -17.53535623
0.00030902 -0.00010384 0.00057264
-0.00075838 -0.01773456 0.00354911
-4.79366957 -0.22570577 -17.05251774
-0.00015724 -0.00037608 0.00082116
-0.00304936 -0.00722855 -0.01175617
2.28263410 4.81359613 -12.04564279
-0.00005771 -0.00036193 -0.00058206
-0.01476652 0.01736969 -0.02848569
2.13721814 3.48213706 -9.62325868
0.00052129 0.00013337 0.00108094
0.00211289 0.00471112 0.00260086
-1.15369528 15.87363735 13.53282785
0.00114106 0.00113717 -0.00029818
0.00254138 -0.00225967 -0.01500342
-2.46791388 17.05508387 15.65649345
0.00064125 0.00003659 0.00097705
-0.01301368 0.00572078 -0.00702274
-1.72646232 0.86860649 -5.67813936
0.00040681 0.00056102 -0.00006106
-0.01150702 0.02195128 -0.01899514
-3.00586942 0.83846074 -8.43041660
0.00053386 -0.00004545 -0.00050026
0.01159036 0.02567031 0.02582774
-8.03061517 -2.89189823 -5.19659259
-0.00129446 -0.00028942 -0.00039095
0.00335009 -0.00477212 0.00680767
-7.33653737 -0.38017804 -4.15611392
-0.00069648 -0.00012082 0.00012715
0.00006230 0.01789568 0.00572631
1.47477119 28.63120167 5.80676831
0.00063919 -0.00023764 -0.00056270
-0.01726748 -0.00936611 0.01976077
-1.42882552 28.41488466 6.39844014
-0.00108182 0.00061189 0.00059501
0.03714937 -0.00867082 0.01439042
8.24841974 -9.18354031 -2.06476559
0.00037169 0.00021126 -0.00035480
0.01476612 0.00431062 -0.00229135
9.91817463 -9.91725161 0.13352119
0.00019453 -0.00056041 -0.00031817
0.00646771 -0.00815464 0.03156389
-5.51558168 -0.10765937 8.81001118
-0.00085516 0.00099891 -0.00009311
-0.00811732 -0.00418631 0.01863433
-8.41982125 -0.46381015 8.00384106
-0.00049279 0.00060729 0.00022439
0.01069263 -0.00193937 0.00757315
19.99492411 11.38916578 7.52363111
0.00041197 -0.00021692 0.00023852
-0.03383258 0.00196354 -0.00854124
19.57555598 12.85841295 5.22415942
0.00055151 0.00079236 0.00048332
-0.00694998 0.00553873 -0.00349775
-3.42619938 -2.86761557 -21.78441940
0.00048854 0.00199386 -0.00012249
0.00529914 -0.01276819 -0.01679712
-4.56659584 -3.30034430 -24.36548115
-0.00070279 0.00075092 0.00098476
-0.01308250 0.00043803 -0.01545605
-12.51196104 9.18747345 9.32251065
0.00037695 0.00043940 -0.00009138
-0.00573879 -0.00715760 0.00983390
-13.11029798 8.95164481 6.61126975
-0.00000439 -0.00050124 0.00002785
-0.00156012 -0.00036989 -0.00912818
-12.61743446 7.39572449 -4.26757488
0.00012208 0.00017227 -0.00087497
-0.00120446 0.00022937 -0.00561483
-11.40907767 9.42799262 -2.43541651
-0.00001225 -0.00038484 -0.00038631
-0.01246081 -0.03554249 -0.00268084
-4.67124101 -17.16225123 20.28329804
0.00060090 0.00013567 -0.00002600
-0.02753612 -0.01510461 -0.00896081
-1.87410630 -17.31863779 19.92991996
-0.00005109 0.00064095 -0.00048174
0.02270182 -0.01846609 -0.01209060
-3.46278475 5.55127980 -6.84832169
-0.00087302 -0.00001492 0.00027127
0.00661581 -0.00979986 -0.00564842
-3.49982745 8.34823178 -7.04741649
-0.00020569 0.00075108 0.00076362
-0.01236908 0.04747771 0.02913328
-20.98329282 28.42771329 -0.05744410
-0.00047370 -0.00023336 0.00052399
-0.00196384 0.00752869 0.01105915
-18.80304389 29.16241096 1.63600022
-0.00078514 0.00043685 0.00033742
-0.03384571 0.01464476 -0.00432867
8.89617493 2.57249221 5.98185953
0.00009332 -0.00096644 -0.00074614
0.00581241 0.01638111 0.03460892
9.00338686 4.93313177 7.82263516
0.00012794 0.00083971 0.00040283
-0.00538655 0.01401643 0.00646833
6.99191813 14.59341130 -15.03792679
-0.00024281 0.00050778 0.00143410
-0.00263168 0.00154554 0.01465859
6.00415605 12.70381356 -13.21118114
0.00092662 0.00005308 -0.00026017
-0.01477936 -0.07952569 0.00605849
13.24706868 5.30362229 -3.52137625
-0.00040121 0.00062548 0.00028798
0.00408944 -0.00506438 -0.00844222
13.62040352 4.11495791 -1.05583433
-0.00015922 -0.00044149 -0.00048638
0.00879656 -0.02247618 -0.03522431
-5.55286195 9.56907336 0.28182846
0.00061594 -0.00047169 -0.00004758
-0.01578551 0.02829780 -0.01885155
-7.93528914 11.30078282 0.40473078
-0.00096847 -0.00174644 -0.00078245
0.00558323 -0.00441598 -0.00462741
4.52780293 12.73503422 2.15714189
0.00043823 -0.00023163 0.00004413
0.01060007 0.00419730 0.00869430
7.20609035 11.90952524 2.74089140
0.00003140 0.00044453 -0.00094465
0.05419794 -0.05442375 -0.01462021
20.33638387 -12.95780371 -10.59860481
0.00015335 0.00014546 0.00059446
0.03109611 0.00615017 -0.01315677
22.19784293 -13.67048706 -12.84286223
-0.00061944 -0.00037483 -0.00041685
0.00022919 0.01702783 0.02069118
17.83111285 -6.36524910 2.01262786
0.00072971 0.00106043 0.00105719
0.02125648 0.00632403 -0.03259583
15.95863647 -8.07721252 3.21215101
0.00046785 -0.00027925 0.00035918
0.00513700 0.03224752 0.00621073
13.98731206 8.45912098 10.74748722
0.00035152 -0.00071397 0.00026144
0.01957315 -0.01706735 -0.00980729
16.40142840 6.82187696 11.31448337
0.00038654 -0.00054609 -0.00094208
0.00215617 -0.00039900 0.00519503
2.87346857 -13.41211480 14.77502494
-0.00055852 0.00146243 0.00058401
-0.00484767 -0.00201423 0.01162542
3.82124695 -12.42525946 17.35668046
-0.00068000 0.00081846 -0.00106579
0.00738073 0.01752457 0.00599858
-3.30997094 -2.48025546 -10.21509485
-0.00028305 -0.00057779 -0.00021824
-0.00176665 -0.02369649 0.01351206
-1.84506847 -0.37390976 -11.57319383
-0.00024506 -0.00023258 0.00012001
-0.02810646 -0.00333120 0.01116226
14.85709105 -7.66559936 -11.19105041
-0.00035640 0.00038929 -0.00057336
-0.00772916 0.00572046 -0.04720851
16.76262687 -6.88842776 -8.92521993
0.00045152 -0.00009204 0.00092913
-0.01255042 -0.01121205 -0.01525122
6.96701733 -2.80227962 6.21918890
0.00107170 -0.00015193 -0.00072732
0.01706064 0.00060619 -0.01885028
9.90331329 -2.90815155 4.86809696
0.00071935 -0.00080059 -0.00025104
-0.02152611 -0.00524619 0.01244604
-21.80066081 1.58126031 22.83236614
0.00058097 -0.00098691 0.00006760
0.00043890 0.00188697 -0.02361534
-22.60831167 0.55180435 25.32242358
-0.00019048 0.00040525 -0.00030777
-0.01169420 -0.00908190 0.00459465
25.48366004 -3.00718083 -7.63387545
0.00043938 -0.00006136 -0.00054421
0.00157612 0.00312630 -0.00062722
23.66982352 -0.65333117 -7.26732430
-0.00006713 0.00063889 0.00078339
0.00049578 -0.00482906 -0.00131487
11.06405498 -12.73252426 -8.50077658
0.00104335 -0.00070634 0.00050025
-0.00611283 -0.00106733 -0.00519964
12.59864220 -10.34500558 -9.45714617
0.00007511 0.00064765 0.00068372
-0.00377840 -0.01165110 -0.00676470
-5.44733242 -10.46652171 18.43607874
0.00094440 0.00000148 -0.00030437
-0.00060881 0.00406065 -0.02397769
-6.20968050 -9.72471689 15.56120997
-0.00032321 -0.00000095 -0.00139439
-0.01117107 0.00181698 -0.00284335
8.67321649 0.92155867 -31.66122506
0.00029162 0.00051657 -0.00051732
0.00626841 0.00754526 0.01057718
6.39030102 2.46198835 -31.09176060
0.00053023 -0.00009729 -0.00045802
-0.01124473 0.00570536 -0.00396187
11.30843275 18.46436064 13.57266802
0.00070579 -0.00094334 -0.00041001
0.00089594 0.02824690 -0.02475639
12.11153397 16.04319765 14.57556895
-0.00052527 -0.00045843 0.00014042
0.00278997 -0.01188318 0.00083822
30.48985615 5.51957444 -8.22122861
0.00058678 -0.00023979 0.00037254
0.00265766 0.00225136 0.00307620
29.12164514 7.88817176 -7.22979323
-0.00101452 0.00020773 0.00016210
-0.06130094 0.01678221 0.01391193
-8.39942274 4.93558145 5.65757328
-0.00008819 -0.00018352 -0.00007807
0.00634183 0.00493432 0.00938077
-10.76755608 10.13367270 3.47380327
0.00004491 0.00004265 -0.00014201
0.00193931 -0.00319485 0.00077585
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08150277
0.31473593
419.36984335
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3543817831 (a.u.)
total exchange computation time: 2.7342000008 s
-154.2586703838
-931.39904180
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3538388902 (a.u.)
total exchange computation time: 2.7357270718 s
-154.2636026212
Anderson extrapolation: theta=1.3559977518 (1.3559977518)
-931.39930038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3530184637 (a.u.)
total exchange computation time: 2.7363328934 s
-154.2709090386
Anderson extrapolation: theta=0.0552844921 (0.0552844921)
-931.39945574
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3529065526 (a.u.)
total exchange computation time: 2.7342379093 s
-154.2718744380
Anderson extrapolation: theta=2.0447602725 (2.0000000000)
-931.39946192
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3526658705 (a.u.)
total exchange computation time: 2.7345290184 s
-154.2739396714
Anderson extrapolation: theta=0.2609968264 (0.2609968264)
-931.39946864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3526036080 (a.u.)
total exchange computation time: 2.7336559296 s
-154.2744682843
Anderson extrapolation: theta=1.7012914041 (1.7012914041)
-931.39946998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3525217305 (a.u.)
total exchange computation time: 2.7340140343 s
-154.2751595961
Anderson extrapolation: theta=0.3214649070 (0.3214649070)
-931.39947131
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3525198264 (a.u.)
total exchange computation time: 2.7335739136 s
-154.2751740309
Anderson extrapolation: theta=1.1893628234 (1.1893628234)
-931.39947162
-255.984388 122.214153 -35.935753
566.161639 1066.978272 -419.118650
310.177251 1189.192424 -455.054403
1310.520148
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3525359676 (a.u.)
total exchange computation time: 2.7345380783 s
678.45507509
-1083.19074371
89.92060050
-389.46168860
-174.77017906
78.00655764
551.60419304
0.00000000
-931.39947175
5.64622487 -31.17340134 -3.82907671
-0.00001209 -0.00013122 0.00015115
-0.00458534 -0.01121233 -0.00173933
-11.75294032 -1.03059875 -11.86642665
-0.00026791 0.00009622 0.00001677
0.01075778 0.01818868 0.01185174
-38.04780916 2.32308127 3.42595572
0.00012608 -0.00003721 -0.00015133
0.01362896 0.01099672 -0.01482780
-9.47317753 -2.78108023 2.59216577
-0.00060573 -0.00006502 -0.00028151
0.03707384 -0.01295389 0.01068851
0.61645789 -0.17659421 8.98287663
0.00018533 -0.00020759 -0.00005849
0.02202644 0.00857333 0.00885877
-32.40279742 2.75651114 1.87768821
-0.00001473 0.00001538 -0.00028762
0.04439949 -0.02854207 0.01013062
13.90408921 13.53402189 -14.31244571
0.00040699 0.00037088 -0.00014180
0.01614466 0.01541107 0.00562562
-3.91389713 7.07069128 4.19760215
-0.00027018 0.00011212 -0.00045786
0.01689941 0.00463425 -0.03395697
5.73597607 16.69664975 -8.56291069
0.00011897 0.00004737 0.00029758
-0.00769206 0.00382022 0.02320169
6.88747694 7.07488623 -21.03717322
-0.00026239 0.00039282 -0.00000999
0.03097401 -0.00447820 -0.01244524
23.57521274 17.08951505 -2.36121289
-0.00045056 0.00003267 0.00035862
0.02215468 0.01176330 -0.01293502
1.34266982 12.80971766 -21.10459499
0.00004315 0.00014152 0.00016167
0.00758111 0.02489241 0.01734184
10.31456425 -3.62283304 -1.78487451
0.00013795 0.00003493 0.00023348
-0.00491010 -0.04809932 0.01177552
-17.97385687 -2.63502603 4.63652730
0.00026376 -0.00010605 0.00015776
-0.02181967 -0.01771983 0.00404775
-15.23141299 0.10925509 18.66201860
-0.00017229 0.00015047 -0.00019882
-0.00283623 -0.01439341 0.00443239
2.80096266 2.72724991 -2.97131320
-0.00002748 0.00009533 0.00019701
-0.02217388 0.00892951 0.00886066
23.37452165 -7.73226122 -9.56535304
0.00000029 -0.00025340 -0.00018810
0.01163191 0.00740143 0.00471824
1.37164975 -8.02088757 6.66171522
0.00008428 0.00009887 0.00014012
-0.00346695 0.00325536 -0.03060914
-3.84313208 -1.31269732 -18.24597283
0.00023721 0.00051990 0.00013477
0.00905256 0.01499154 0.00536717
3.35895099 4.24994051 -10.74902843
-0.00038725 0.00011006 0.00021923
0.00810408 -0.02130016 0.02738628
-2.68095118 16.91606022 13.82956584
-0.00001939 -0.00020798 0.00006761
0.00181408 0.00388282 0.03107576
-2.21114649 2.06367925 -7.05330092
-0.00019712 0.00004610 0.00001385
0.00287501 -0.04540580 0.00186513
-6.63450482 -2.02774244 -4.37063293
0.00008632 -0.00003340 -0.00007086
-0.01389561 -0.01210864 -0.01389139
0.34655612 28.16988886 7.25397545
0.00008948 0.00010076 0.00024391
-0.02296449 0.01857120 -0.04358511
10.02821017 -9.10949025 -1.44934593
-0.00001617 -0.00002733 -0.00001821
-0.01322476 0.00677563 -0.03093723
-6.81286360 0.32800754 7.58971381
0.00000512 0.00011223 0.00008068
-0.01206695 0.01443502 -0.02187123
18.56031220 11.76037906 6.28666691
0.00006775 -0.00015108 0.00019163
0.05220534 -0.00225901 0.01225503
-3.26047858 -3.99558322 -23.29490009
0.00007209 -0.00012120 -0.00015957
0.00133675 0.02526600 0.04111955
-13.65308015 8.24990216 8.21485906
0.00000358 0.00008364 0.00032677
0.00493176 0.01057156 0.00373805
-11.93906948 7.56635922 -2.56809124
-0.00041467 -0.00026974 -0.00011308
0.01151600 0.03787754 -0.00389787
-3.17493073 -16.21738493 20.40325007
-0.00048649 -0.00026595 0.00007168
0.01161814 0.03903218 0.01966875
-3.13628251 6.92802244 -7.99403480
-0.00034558 -0.00013616 0.00010871
-0.00119887 -0.02048245 -0.01961864
-20.69422654 29.51362839 1.40941235
0.00009150 0.00006702 -0.00017518
0.03763865 -0.01073159 -0.00717905
9.77338560 3.29712668 7.53578664
0.00012207 -0.00033551 -0.00001039
-0.00774906 -0.02457973 -0.04074313
6.36149941 14.37094403 -13.29638536
0.00009742 0.00045563 0.00038395
0.01495710 0.07189488 -0.01536757
14.16238910 3.82896503 -2.89371517
-0.00005975 -0.00024986 0.00020046
-0.01479835 0.02482352 0.04033412
-6.34161553 11.10048766 -0.52125493
0.00018568 -0.00004737 0.00012154
0.01004248 -0.02737308 0.02583029
6.06144150 13.08970043 3.18229451
0.00018540 0.00030296 -0.00005092
-0.06321106 0.05122032 0.01107496
21.88589509 -12.31281021 -11.51775084
0.00017066 0.00022747 -0.00033389
-0.03012959 -0.02588183 -0.00675399
16.67782660 -6.32769091 3.35372563
0.00003914 -0.00008928 -0.00002711
-0.03044020 -0.03525607 0.02107954
15.25402099 7.25575558 9.96594843
0.00010003 -0.00005697 -0.00018884
-0.02108373 0.01153521 -0.00287693
3.10478178 -13.85741976 16.54832290
-0.00023877 -0.00009876 -0.00013522
-0.00050136 -0.01389593 -0.01908197
-3.56740564 -0.77222753 -10.72564783
0.00005208 -0.00039982 -0.00010415
0.02667551 0.02187954 -0.02786324
15.30569561 -7.96488712 -9.51768819
0.00025514 0.00007905 -0.00006416
0.01214224 0.01025621 0.05664706
8.76742803 -3.28778649 6.32975636
0.00026027 -0.00039399 0.00009187
0.02287112 -0.00500081 -0.00010280
-21.37035352 1.61272344 24.55813563
-0.00027737 -0.00002244 -0.00011800
0.01365612 0.00577966 0.01785360
24.92015129 -1.70419432 -6.45884728
-0.00007575 -0.00002566 -0.00009817
0.00236009 -0.00223824 -0.00124365
11.60863710 -11.82368962 -9.99764453
0.00017809 -0.00008681 -0.00012447
0.01359527 0.01558227 0.00940038
-4.87525349 -10.23576018 16.65431856
0.00000456 -0.00006858 0.00002358
0.01233539 -0.01085598 0.02006647
8.04887553 2.18158788 -30.40870839
0.00030760 0.00045094 -0.00044106
0.00372744 -0.01893468 -0.01616293
10.82569568 17.29979771 14.82556840
0.00007604 -0.00044492 -0.00013871
-0.00288345 -0.00993835 0.01412634
30.66664352 7.28443385 -7.69542876
0.00007036 -0.00009254 0.00003344
0.04859559 -0.01647017 -0.00141526
5.70971553 -30.09767286 -5.27139037
-0.00013531 -0.00031274 0.00060666
0.01054465 0.00954225 -0.01924999
4.04680001 -30.68235595 -3.16824327
-0.00078930 -0.00056134 -0.00002590
-0.01536206 0.00503332 0.01653802
-12.30946127 -2.31170513 -13.09214981
-0.00010879 0.00086558 -0.00077660
-0.00565596 0.00642475 -0.00994908
-11.76751239 0.63710269 -12.75671184
0.00056179 -0.00049031 0.00062827
-0.00603475 -0.01690084 0.00448091
-37.91955281 3.62531521 2.04760110
0.00074773 0.00093152 -0.00020288
-0.01577815 -0.01572454 0.02093695
-39.63755050 1.39003999 3.34977076
-0.00015837 0.00047392 0.00042317
0.00401717 0.01079621 -0.00700316
-9.98520919 -3.04041396 0.81520570
0.00090453 -0.00051101 -0.00024427
-0.00216070 -0.00512064 0.00391113
-7.86753096 -3.87763047 2.92792729
-0.00085735 0.00095799 0.00112115
-0.04439783 0.02455854 -0.01155122
0.14000062 -0.18943888 7.27159273
0.00039806 -0.00033649 0.00092970
-0.01445475 -0.00841454 -0.02646313
2.01382052 1.01528421 8.87014520
0.00002138 0.00041900 -0.00048451
-0.00166479 -0.00144863 0.01383462
-31.89682357 0.97268447 2.34511493
-0.00107342 0.00050025 0.00085621
-0.00188255 0.01843918 -0.01226660
-34.11345198 2.73467958 2.30050926
0.00021217 0.00085004 -0.00010054
-0.03847860 0.00199184 0.00359635
12.51864439 12.78314403 -15.21321447
-0.00064939 -0.00069134 -0.00086075
0.00758067 -0.00336555 -0.00906202
15.56561325 13.27923663 -15.13756815
-0.00061402 -0.00052174 0.00003462
-0.02471019 -0.00873366 0.00717672
-3.86494285 8.90848867 4.56864211
-0.00026748 -0.00041184 0.00050516
-0.00331390 -0.00704321 0.00821302
-3.02666331 6.95219670 2.50551669
-0.00163939 -0.00022459 0.00032648
-0.01396928 -0.00480157 0.03046201
5.73485843 16.39270115 -10.33737492
0.00040495 -0.00078373 -0.00044271
0.00523879 -0.00716562 -0.01771342
7.49506667 16.94412633 -8.08028756
0.00031200 -0.00009205 0.00042588
0.00734993 0.00021984 -0.00159925
8.05302036 7.21600837 -22.59399770
0.00016625 -0.00009253 0.00034593
-0.02039112 -0.00203337 0.01697819
8.17363461 7.40852943 -19.73410515
-0.00025456 0.00039333 -0.00016971
-0.01156471 0.00322931 -0.00524812
21.91909172 17.85656596 -2.08924748
-0.00021534 0.00033495 -0.00086742
-0.00678463 -0.00275818 0.00242355
24.49782766 18.34390179 -3.41749108
0.00051457 -0.00056684 0.00005384
-0.01264430 -0.01468091 0.01008823
1.08609974 11.14269573 -21.71890108
0.00094797 0.00034009 0.00096008
-0.00749018 -0.01710950 -0.01097409
0.95189365 14.18369008 -22.26082779
-0.00071972 -0.00000509 0.00048290
0.00069020 -0.00944483 -0.00659034
9.90182844 -5.52199623 -1.52380349
-0.00005927 0.00109247 -0.00018087
0.01154776 0.04501123 -0.00679221
8.75760878 -2.68099807 -1.65329369
0.00110674 0.00047383 -0.00174755
-0.00235210 -0.00072863 -0.00700613
-18.98937775 -4.13453349 4.99982117
0.00049714 0.00030475 0.00022666
-0.00158015 0.01045096 0.00967368
-17.38852626 -3.15162842 3.01044067
0.00068380 0.00025632 0.00061895
0.01009506 0.00504558 -0.01424151
-15.26989153 -0.00350490 16.83933470
-0.00064065 0.00042270 0.00010600
0.00266690 -0.00041332 -0.00233211
-13.99051986 1.37612168 18.95403947
0.00040672 -0.00093892 -0.00000778
0.00874701 0.00917501 0.00316573
3.16152977 3.49370019 -4.55494697
0.00030544 -0.00046881 0.00007771
-0.00388842 0.01651405 -0.00853541
3.84425823 1.25807272 -3.11752051
-0.00130485 -0.00049644 -0.00085189
0.01228588 -0.01280935 0.00771000
22.90182001 -9.36162136 -10.19283064
-0.00033834 -0.00014291 -0.00015562
-0.00606976 -0.01984397 -0.01127905
24.96907425 -7.93808727 -8.70996355
0.00057667 0.00007570 0.00076371
-0.00033553 0.00496873 0.00031237
2.09593849 -8.29969631 4.96838436
0.00074455 -0.00115629 0.00020351
-0.00833083 -0.00312655 0.01646398
2.76467491 -7.42414195 7.64577542
0.00025488 -0.00071218 0.00159980
0.00959610 -0.00093045 0.01134112
-4.19881043 -2.93382318 -17.52665792
0.00030911 -0.00016609 0.00058117
0.00079983 -0.01273569 0.00063024
-4.79612160 -0.23156841 -17.04056059
-0.00016892 -0.00040434 0.00077180
-0.00266946 -0.00660801 -0.01240811
2.28131588 4.80869943 -12.05524656
-0.00011638 -0.00029398 -0.00069256
-0.01394955 0.01589209 -0.02560405
2.14510226 3.48428204 -9.60696483
0.00052772 0.00015335 0.00108965
0.00103508 0.00506483 0.00166350
-1.13650144 15.89062564 13.52789539
0.00114890 0.00112741 -0.00035888
0.00129329 -0.00251671 -0.01470851
-2.45869391 17.05580801 15.67093405
0.00058640 0.00005828 0.00093431
-0.01383606 0.00489575 -0.01389903
-1.72071276 0.87769445 -5.67963726
0.00035976 0.00064778 -0.00013653
-0.01152332 0.02051959 -0.01795169
-2.99750636 0.83856568 -8.43712905
0.00058045 0.00005876 -0.00039330
0.01121493 0.02534089 0.02653006
-8.04992941 -2.89638569 -5.20224823
-0.00126610 -0.00030095 -0.00035472
0.01053370 -0.00087304 0.01092605
-7.34698274 -0.38144196 -4.15403116
-0.00069394 -0.00005131 0.00015027
0.00118174 0.01613068 0.00558932
1.48382994 28.62735005 5.79893335
0.00056107 -0.00027763 -0.00047486
-0.02097591 -0.01021107 0.02323803
-1.44391444 28.42379736 6.40780622
-0.00092211 0.00057510 0.00065437
0.04103104 -0.00933755 0.01466710
8.25444755 -9.18023936 -2.07015779
0.00042896 0.00022815 -0.00036391
0.01326745 0.00396051 -0.00216664
9.92129074 -9.92590769 0.12971585
0.00022036 -0.00059357 -0.00019015
0.00617606 -0.00807814 0.03110468
-5.52865789 -0.09280397 8.80918555
-0.00087859 0.00097833 -0.00000785
-0.00334939 -0.00588699 0.02310239
-8.42688548 -0.45476020 8.00743898
-0.00044561 0.00060080 0.00025468
0.01240092 -0.00123923 0.00725542
20.00006698 11.38597214 7.52694712
0.00027190 -0.00020852 0.00020238
-0.03473490 0.00215030 -0.00914643
19.58361569 12.87046800 5.23130206
0.00051739 0.00080864 0.00047456
-0.00975349 0.00243080 -0.00079142
-3.41870885 -2.83809899 -21.78677141
0.00051257 0.00193106 -0.00020018
0.00646023 -0.01796960 -0.02123310
-4.57753856 -3.28906715 -24.35118335
-0.00075375 0.00074951 0.00092134
-0.01186293 -0.00112712 -0.01558821
-12.50648264 9.19384508 9.32144126
0.00035227 0.00040889 -0.00005190
-0.00634070 -0.00777449 0.00949511
-13.11041161 8.94411488 6.61140774
-0.00001111 -0.00050300 -0.00000895
-0.00172961 -0.00049058 -0.00888566
-12.61564018 7.39831556 -4.28087143
0.00011850 0.00017270 -0.00089215
-0.00054751 -0.00002110 -0.00279811
-11.40964333 9.42113096 -2.44129336
-0.00006302 -0.00052909 -0.00039625
-0.01238829 -0.03506988 -0.00218158
-4.66307136 -17.16067907 20.28263350
0.00047219 0.00006303 -0.00006394
-0.03546850 -0.02044982 -0.00961395
-1.87417702 -17.30958945 19.92232333
0.00004185 0.00056550 -0.00053154
0.02279573 -0.01846558 -0.01228791
-3.47567730 5.55075569 -6.84442567
-0.00084567 -0.00005348 0.00024718
0.00677019 -0.00907446 -0.00614473
-3.50329180 8.36095277 -7.03506949
-0.00025152 0.00092633 0.00087022
-0.01006400 0.03831288 0.02305049
-20.99045857 28.42444359 -0.04924537
-0.00048147 -0.00020508 0.00056599
-0.00183941 0.00631550 0.00950218
-18.81585805 29.16941254 1.64092891
-0.00091484 0.00049419 0.00031947
-0.02964638 0.01341952 -0.00445816
8.89775285 2.55849761 5.97172789
0.00011922 -0.00089459 -0.00059799
0.00686359 0.01878697 0.03791259
9.00514097 4.94615696 7.82887585
0.00011204 0.00088186 0.00042515
-0.00239691 0.00661752 0.00445470
6.98819533 14.60107532 -15.01596606
-0.00024764 0.00051794 0.00147896
0.00026674 0.00343117 0.00730056
6.01760243 12.70217281 -13.21489807
0.00086853 -0.00026437 -0.00023505
-0.01365429 -0.07586597 0.00624106
13.24117586 5.31284930 -3.51731523
-0.00037869 0.00059516 0.00025723
0.00693511 -0.00977523 -0.00660862
13.61828481 4.10764679 -1.06420948
-0.00012451 -0.00053257 -0.00062296
0.00819108 -0.02210762 -0.03163180
-5.54410660 9.56286517 0.28053705
0.00054941 -0.00035222 -0.00012629
-0.01678231 0.03018281 -0.01967629
-7.94964508 11.27445088 0.39285216
-0.00094064 -0.00176411 -0.00080312
0.00803926 -0.00423164 -0.00548881
4.53470121 12.73168832 2.15807031
0.00047898 -0.00021316 0.00007879
0.00934704 0.00484599 0.00826828
7.20822214 11.91452542 2.72627366
0.00025095 0.00022569 -0.00100349
0.05327158 -0.05269678 -0.01418152
20.33963701 -12.95543331 -10.59009104
0.00028385 0.00017234 0.00053810
0.03278591 0.00700762 -0.01443101
22.18855837 -13.67558766 -12.84848090
-0.00061743 -0.00030314 -0.00033057
0.00075352 0.01806409 0.02154432
17.84270993 -6.34914885 2.02748681
0.00081958 0.00108489 0.00091980
0.02273384 0.00564699 -0.03465354
15.96581162 -8.08041310 3.21772900
0.00048983 -0.00014776 0.00038234
0.00562444 0.03211774 0.00512910
13.99318465 8.44788850 10.75110823
0.00042852 -0.00078005 0.00022303
0.01812038 -0.01528044 -0.00899415
16.40729261 6.81367336 11.30051130
0.00039759 -0.00054831 -0.00091766
0.00325191 -0.00068916 0.00675903
2.86494216 -13.39024013 14.78414132
-0.00058038 0.00145166 0.00062539
-0.00585170 -0.00325728 0.00863265
3.81127307 -12.41244562 17.34087735
-0.00065064 0.00088647 -0.00103882
0.00699123 0.01576770 0.00720462
-3.31427083 -2.48964851 -10.21795447
-0.00029010 -0.00067224 -0.00016340
-0.00168561 -0.02253501 0.01333390
-1.84960558 -0.37750061 -11.57105168
-0.00035742 -0.00024653 0.00016423
-0.02689426 -0.00349425 0.01048305
14.85150823 -7.65958468 -11.20109743
-0.00038336 0.00041060 -0.00075247
-0.00546699 0.00470808 -0.04046490
16.76901505 -6.89015199 -8.91175029
0.00039904 -0.00013836 0.00086413
-0.01313590 -0.01145901 -0.01656981
6.98361556 -2.80453999 6.20770140
0.00113170 -0.00014734 -0.00080353
0.01230991 0.00163992 -0.01845143
9.91344396 -2.92032110 4.86471278
0.00062910 -0.00082296 -0.00019674
-0.02265535 -0.00570488 0.01413344
-21.79193275 1.56651451 22.83265651
0.00058192 -0.00097939 -0.00003487
0.00002218 0.00179423 -0.02654508
-22.61152725 0.55760483 25.31794788
-0.00024244 0.00036466 -0.00028557
-0.01373932 -0.01078836 0.00626933
25.49029900 -3.00800548 -7.64205787
0.00044309 -0.00004336 -0.00054332
0.00023932 0.00568407 0.00106499
23.66883173 -0.64389576 -7.25561367
-0.00006499 0.00061823 0.00077649
0.00055087 -0.00528522 -0.00206713
11.07951793 -12.74315207 -8.49343214
0.00101982 -0.00070676 0.00047182
-0.00540441 0.00086370 -0.00871728
12.59965307 -10.33564790 -9.44709769
0.00005526 0.00059233 0.00065215
-0.00593657 -0.01542817 -0.00868993
-5.43318507 -10.46637506 18.43077845
0.00093711 0.00001762 -0.00039547
-0.00295952 0.00384087 -0.02061796
-6.21487094 -9.72467542 15.54020696
-0.00035563 0.00000112 -0.00139324
-0.00470207 -0.00080742 0.00340511
8.67778293 0.92953836 -31.66866071
0.00031775 0.00054705 -0.00047369
0.00651890 0.00737490 0.01077942
6.39790991 2.46070382 -31.09875227
0.00048000 -0.00007255 -0.00047553
-0.01334477 0.00640300 -0.00460808
11.31904705 18.45107617 13.56575923
0.00070850 -0.00082892 -0.00050987
0.00043102 0.02775848 -0.02412665
12.10374038 16.03595704 14.57770092
-0.00050908 -0.00051234 0.00014373
0.00513626 -0.01450395 0.00078109
30.49873928 5.51604664 -8.21554628
0.00059643 -0.00023110 0.00038494
0.00206540 0.00199843 0.00299600
29.10454896 7.89180193 -7.22693543
-0.00124110 0.00026586 0.00021150
-0.04961157 0.01167388 0.01027135
-8.40072850 4.93284189 5.65642743
-0.00008591 -0.00018174 -0.00007472
0.00636457 0.00501376 0.00935256
-10.76687903 10.13430682 3.47167450
0.00004535 0.00004188 -0.00014180
0.00181163 -0.00337168 0.00099724
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08209109
0.31738066
422.89381622
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3473169799 (a.u.)
total exchange computation time: 2.7343759537 s
-154.2377571077
-931.40205650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3469191236 (a.u.)
total exchange computation time: 2.7351479530 s
-154.2416924577
Anderson extrapolation: theta=1.3550448407 (1.3550448407)
-931.40230450
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3463163069 (a.u.)
total exchange computation time: 2.7372128963 s
-154.2475633886
Anderson extrapolation: theta=0.0543650852 (0.0543650852)
-931.40245374
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3462328677 (a.u.)
total exchange computation time: 2.7331168652 s
-154.2483779701
Anderson extrapolation: theta=1.9912530383 (1.9912530383)
-931.40245963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3460558152 (a.u.)
total exchange computation time: 2.7337479591 s
-154.2501092127
Anderson extrapolation: theta=0.2288036037 (0.2288036037)
-931.40246609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3460177013 (a.u.)
total exchange computation time: 2.7365901470 s
-154.2504945792
Anderson extrapolation: theta=1.8346342469 (1.8346342469)
-931.40246735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3459687530 (a.u.)
total exchange computation time: 2.7337729931 s
-154.2510187329
Anderson extrapolation: theta=0.2820244366 (0.2820244366)
-931.40246882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3459748910 (a.u.)
total exchange computation time: 2.7352859974 s
-154.2509925499
Anderson extrapolation: theta=1.3021391505 (1.3021391505)
-931.40246914
-211.617209 122.233152 -35.968650
566.176302 1066.991338 -419.093218
354.559093 1189.224490 -455.061868
1321.759563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3459962780 (a.u.)
total exchange computation time: 2.7361741066 s
678.35318808
-1082.96561115
89.92502004
-389.61611992
-174.75295012
77.88319013
551.60419304
0.00000000
-931.40246935
5.64602577 -31.17541295 -3.82681615
-0.00001560 -0.00013723 0.00015138
-0.00904451 -0.01214651 0.00261297
-11.75691745 -1.02908529 -11.86612944
-0.00026228 0.00010453 0.00002336
0.01114276 0.01412611 0.01377239
-38.04586540 2.32256554 3.42362864
0.00013342 -0.00003084 -0.00015946
0.01493415 0.01376289 -0.01678831
-9.48212045 -2.78210551 2.58798437
-0.00058692 -0.00007124 -0.00027530
0.03608028 -0.01121351 0.01343567
0.61932287 -0.17967497 8.98203344
0.00019776 -0.00020267 -0.00005184
0.02627737 0.01054205 0.01700145
-32.40284707 2.75663168 1.87341298
0.00000796 0.00000120 -0.00028246
0.04380672 -0.02658330 0.00994605
13.91025637 13.53964446 -14.31455103
0.00041148 0.00037762 -0.00013992
0.00131767 0.01083319 0.00167288
-3.91788464 7.07239093 4.19060320
-0.00026257 0.00011395 -0.00047341
0.01270388 0.00248380 -0.02648245
5.73773095 16.69737501 -8.55835756
0.00011526 0.00004905 0.00030776
-0.00673604 0.00271409 0.01638980
6.88366063 7.08076132 -21.03737105
-0.00024648 0.00039040 -0.00001637
0.03087875 -0.00495985 -0.01237299
23.56853986 17.09005047 -2.35588347
-0.00043848 0.00003869 0.00035165
0.02480103 0.01165446 -0.01417868
1.34334624 12.81193649 -21.10210298
0.00004730 0.00015519 0.00017127
0.00856164 0.02825234 0.01998109
10.31661463 -3.62249470 -1.78132688
0.00013695 0.00001074 0.00023913
0.00098627 -0.04596411 0.01020159
-17.96998464 -2.63668520 4.63890928
0.00025284 -0.00011419 0.00016034
-0.02063965 -0.01390857 0.00599452
-15.23400821 0.11145664 18.65905335
-0.00017414 0.00014257 -0.00019613
-0.00436266 -0.01633646 0.00603143
2.80046489 2.72871425 -2.96832386
-0.00003892 0.00009996 0.00020147
-0.02228402 0.00907814 0.00846902
23.37457087 -7.73603370 -9.56815631
0.00000777 -0.00024954 -0.00018480
0.01745458 0.00762916 0.00810813
1.37290053 -8.01939194 6.66369898
0.00008367 0.00010080 0.00012474
0.00110333 0.00423891 -0.02922502
-3.83953903 -1.30484104 -18.24393058
0.00024134 0.00052606 0.00013835
0.00703038 0.00895780 0.00856379
3.35317355 4.25150924 -10.74563435
-0.00038319 0.00009953 0.00023254
0.00768644 -0.01964434 0.02437788
-2.68123497 16.91295544 13.83069988
-0.00001787 -0.00020598 0.00008500
0.00409111 0.00391327 0.03654985
-2.21409220 2.06419554 -7.05308595
-0.00019563 0.00002332 0.00001431
0.00290384 -0.04314897 -0.00008109
-6.63326363 -2.02829018 -4.37174941
0.00007717 -0.00003990 -0.00007884
-0.02169824 -0.01316228 -0.01713341
0.34780975 28.17147184 7.25746599
0.00007759 0.00011056 0.00022069
-0.02325816 0.01954439 -0.04670458
10.02791665 -9.10987414 -1.44973835
-0.00002240 -0.00002395 -0.00003368
-0.01099486 0.00637277 -0.02923301
-6.81283333 0.32974666 7.59083966
-0.00000263 0.00011982 0.00006840
-0.01809317 0.01507166 -0.02589916
18.56152976 11.75810416 6.28958871
0.00009534 -0.00015157 0.00019735
0.05508620 0.00033886 0.00998339
-3.25939202 -3.99730381 -23.29713508
0.00007204 -0.00010661 -0.00013759
-0.00155470 0.03147502 0.04437572
-13.65300750 8.25119759 8.21977502
0.00000632 0.00008921 0.00032864
0.00574923 0.01107337 0.00352677
-11.94524515 7.56245925 -2.56980252
-0.00040896 -0.00025055 -0.00011598
0.01068929 0.03673635 -0.00735900
-3.18218334 -16.22122365 20.40440112
-0.00047848 -0.00024488 0.00008193
0.01953225 0.04293071 0.02019778
-3.14147082 6.92590110 -7.99247976
-0.00034687 -0.00014423 0.00010041
-0.00381034 -0.01090093 -0.01266749
-20.69270881 29.51459224 1.40675699
0.00010948 0.00006220 -0.00017838
0.03226096 -0.00798413 -0.00528241
9.77518669 3.29199919 7.53547357
0.00011714 -0.00034667 -0.00003147
-0.01138945 -0.01879891 -0.04122316
6.36301842 14.37805585 -13.29068538
0.00010383 0.00049007 0.00037817
0.00996052 0.06200633 -0.00712546
14.16143583 3.82531289 -2.89055272
-0.00006778 -0.00023613 0.00021954
-0.01644420 0.02858126 0.03387860
-6.33879159 11.09967146 -0.51933215
0.00019041 -0.00006174 0.00013516
0.00836803 -0.02849847 0.02711720
6.06397866 13.09444240 3.18157346
0.00015427 0.00032802 -0.00004542
-0.05783314 0.04621534 0.01032523
21.88833874 -12.30949799 -11.52278525
0.00015478 0.00021381 -0.00033720
-0.03160425 -0.02723764 -0.00612895
16.67829621 -6.32916609 3.35340035
0.00002339 -0.00010693 -0.00001583
-0.03080208 -0.03338332 0.02276614
15.25544006 7.25494548 9.96310481
0.00008946 -0.00005152 -0.00019095
-0.02002528 0.00968933 -0.00532988
3.10119823 -13.85895470 16.54622105
-0.00023854 -0.00010498 -0.00014444
0.00140420 -0.01032572 -0.01676943
-3.56652156 -0.77814045 -10.72731755
0.00006537 -0.00038900 -0.00011806
0.02500315 0.02019400 -0.02624062
15.30956948 -7.96366175 -9.51843209
0.00026086 0.00008462 -0.00003682
0.01013378 0.01140707 0.04969116
8.77142031 -3.29371556 6.33113404
0.00027352 -0.00039671 0.00009143
0.02865128 -0.00558289 -0.00159694
-21.37446142 1.61240910 24.55643456
-0.00026987 -0.00001905 -0.00010867
0.01552466 0.00741966 0.01842229
24.91902414 -1.70458791 -6.46032459
-0.00007419 -0.00002732 -0.00009903
0.00370086 -0.00419054 -0.00211667
11.61136083 -11.82493170 -9.99947526
0.00018536 -0.00007845 -0.00011835
0.01469075 0.01695547 0.01436452
-4.87513754 -10.23683077 16.65474970
0.00000995 -0.00007348 0.00003126
0.00862622 -0.00819424 0.00980491
8.05350384 2.18827897 -30.41538660
0.00030981 0.00044113 -0.00044920
0.00487990 -0.01922987 -0.01548045
10.82682522 17.29308562 14.82354226
0.00007424 -0.00044902 -0.00013180
-0.00413186 -0.00602421 0.01274877
30.66788633 7.28298220 -7.69493261
0.00009217 -0.00009949 0.00003381
0.03623040 -0.01053563 0.00284486
5.70800906 -30.10207150 -5.26288028
-0.00009185 -0.00026904 0.00052207
0.01072758 0.01184980 -0.02216021
4.03448975 -30.69062183 -3.16812497
-0.00084360 -0.00054326 0.00003846
-0.01121835 0.00381493 0.01496434
-12.31126638 -2.29852451 -13.10410374
-0.00013245 0.00088980 -0.00081702
-0.00592791 0.00543113 -0.00983536
-11.75927051 0.62923018 -12.74715041
0.00053686 -0.00054964 0.00064224
-0.00616520 -0.01214220 0.00235332
-37.90882035 3.63880624 2.04519942
0.00068113 0.00086178 -0.00011237
-0.01682476 -0.01841357 0.02336920
-39.63980300 1.39747961 3.35590376
-0.00014267 0.00051803 0.00039346
0.00367184 0.01079377 -0.00754122
-9.97170750 -3.04823597 0.81166152
0.00089376 -0.00053183 -0.00023210
-0.00310889 -0.00507137 0.00204798
-7.88175166 -3.86250804 2.94439053
-0.00103427 0.00105469 0.00107336
-0.04220683 0.02277431 -0.01183892
0.14552863 -0.19474408 7.28472726
0.00033346 -0.00037191 0.00080383
-0.01716794 -0.00892385 -0.03514964
2.01409020 1.02152487 8.86330145
0.00001151 0.00040997 -0.00042690
-0.00316732 -0.00297238 0.01436670
-31.91298257 0.98075325 2.35758226
-0.00107833 0.00057043 0.00080604
-0.00051822 0.01591495 -0.01229653
-34.11144860 2.74749119 2.29911136
0.00005305 0.00085938 -0.00008560
-0.03940717 0.00258017 0.00371588
12.50913591 12.77267077 -15.22640346
-0.00060005 -0.00069461 -0.00088481
0.01656982 0.00176387 -0.00271632
15.55564582 13.27114296 -15.13682889
-0.00070322 -0.00055823 0.00005914
-0.01895502 -0.00913242 0.00482491
-3.86905652 8.90209531 4.57647118
-0.00028033 -0.00043592 0.00053768
-0.00298070 -0.00474409 0.00770407
-3.05168223 6.94868078 2.51134737
-0.00168831 -0.00024391 0.00043743
-0.00997928 -0.00465543 0.02384838
5.74109329 16.38072567 -10.34455837
0.00042662 -0.00081036 -0.00050035
0.00536484 -0.00587093 -0.01049917
7.49997182 16.94275225 -8.07394843
0.00033926 -0.00009150 0.00041844
0.00599811 0.00005139 -0.00203998
8.05488928 7.21455814 -22.58828848
0.00008251 -0.00010048 0.00041308
-0.02060227 -0.00185702 0.01589036
8.16946183 7.41452838 -19.73681161
-0.00030092 0.00040691 -0.00018909
-0.01112939 0.00341636 -0.00423678
21.91565369 17.86150565 -2.10218452
-0.00024600 0.00032514 -0.00085678
-0.00822256 -0.00204283 0.00278646
24.50515868 18.33494930 -3.41637427
0.00046093 -0.00062814 0.00009683
-0.01360847 -0.01532325 0.01095441
1.10008981 11.14727281 -21.70483610
0.00091528 0.00026174 0.00091135
-0.00851446 -0.02124594 -0.01287979
0.94111905 14.18332435 -22.25378629
-0.00071715 -0.00004258 0.00045436
0.00056461 -0.00891017 -0.00738031
9.90129318 -5.50422984 -1.52672467
-0.00001456 0.00126665 -0.00020712
0.01033965 0.04025130 -0.00605702
8.77413774 -2.67391297 -1.67972169
0.00108701 0.00047632 -0.00177511
-0.00730438 0.00194740 -0.00648455
-18.98196903 -4.12964195 5.00351749
0.00048716 0.00034166 0.00026699
-0.00330609 0.00761682 0.01006956
-17.37795985 -3.14762900 3.01928851
0.00072632 0.00027490 0.00055559
0.01071803 0.00405124 -0.01677455
-15.27941954 0.00282294 16.84085330
-0.00062955 0.00042068 0.00009191
0.00276556 -0.00057811 -0.00456932
-13.98415104 1.36231905 18.95401985
0.00044598 -0.00089756 0.00000585
0.01047191 0.01107135 0.00350622
3.16599225 3.48717410 -4.55404290
0.00028924 -0.00039949 0.00004218
-0.00404188 0.01741651 -0.00885735
3.82506198 1.25023355 -3.13006256
-0.00125410 -0.00055095 -0.00081875
0.01255799 -0.01386985 0.00850953
22.89655887 -9.36437314 -10.19551056
-0.00036204 -0.00022394 -0.00020100
-0.00553053 -0.01981834 -0.01093417
24.97771398 -7.93679955 -8.69849839
0.00056284 0.00009650 0.00075750
-0.00643428 0.00521312 -0.00335253
2.10685144 -8.31713641 4.97194146
0.00070958 -0.00116685 0.00027567
-0.00878612 -0.00204682 0.01885985
2.76879211 -7.43485314 7.67011990
0.00028561 -0.00071964 0.00163811
0.00544871 -0.00271988 0.00741207
-4.19414930 -2.93670479 -17.51792099
0.00031553 -0.00020757 0.00057764
0.00234516 -0.00756755 -0.00236269
-4.79873723 -0.23783603 -17.02936388
-0.00017923 -0.00042985 0.00072010
-0.00237459 -0.00587677 -0.01289502
2.27914275 4.80477670 -12.06641949
-0.00017023 -0.00023288 -0.00078923
-0.01241310 0.01401784 -0.02171951
2.15304982 3.48673742 -9.59056903
0.00052962 0.00017467 0.00109455
-0.00010857 0.00537385 0.00073256
-1.11922835 15.90745969 13.52206150
0.00115057 0.00111762 -0.00041799
-0.00047596 -0.00227672 -0.01422944
-2.45032190 17.05683219 15.68452282
0.00052840 0.00007672 0.00086518
-0.01455383 0.00413223 -0.01994315
-1.71566942 0.88803997 -5.68223535
0.00031320 0.00072761 -0.00020644
-0.01126867 0.01855625 -0.01626655
-2.98845598 0.84022366 -8.44221558
0.00062515 0.00016108 -0.00028412
0.01066526 0.02474401 0.02691386
-8.06859807 -2.90092665 -5.20723425
-0.00120995 -0.00029752 -0.00030271
0.01695165 0.00254931 0.01453487
-7.35735568 -0.38171729 -4.15160585
-0.00068643 0.00000996 0.00017262
0.00249664 0.01385911 0.00535407
1.49160316 28.62287264 5.79252255
0.00046917 -0.00032051 -0.00037432
-0.02400753 -0.01077568 0.02597455
-1.45648872 28.43213779 6.41807119
-0.00074818 0.00053571 0.00071425
0.04410795 -0.00994634 0.01464686
8.26128847 -9.17669569 -2.07568276
0.00047940 0.00024354 -0.00037263
0.01142298 0.00357250 -0.00210429
9.92478537 -9.93505885 0.12781681
0.00024506 -0.00062522 -0.00006644
0.00591774 -0.00741170 0.02944792
-5.54193937 -0.07830937 8.80977578
-0.00088276 0.00095116 0.00009535
0.00130596 -0.00741434 0.02741321
-8.43318970 -0.44578619 8.01148154
-0.00039200 0.00059699 0.00028363
0.01384565 -0.00062362 0.00691647
20.00308109 11.38291028 7.52970257
0.00012932 -0.00019956 0.00016457
-0.03505737 0.00223347 -0.00936120
19.59107765 12.88267202 5.23839619
0.00047221 0.00081246 0.00047647
-0.01236126 -0.00055947 0.00172796
-3.41082239 -2.80968370 -21.79042471
0.00054096 0.00184822 -0.00029411
0.00743762 -0.02258284 -0.02474864
-4.58920831 -3.27785908 -24.33784090
-0.00079880 0.00074122 0.00085821
-0.01018798 -0.00293139 -0.01531542
-12.50139284 9.19974024 9.32095379
0.00032531 0.00037601 -0.00001379
-0.00685923 -0.00832269 0.00915857
-13.11063125 8.93655489 6.61100116
-0.00001857 -0.00050535 -0.00004424
-0.00192280 -0.00065898 -0.00838516
-12.61387945 7.40090535 -4.29433946
0.00011755 0.00017205 -0.00089774
0.00008215 -0.00029237 0.00006145
-11.41096822 9.41211999 -2.44730391
-0.00011296 -0.00066971 -0.00040401
-0.01206060 -0.03376780 -0.00161907
-4.65707544 -17.16036021 20.28137977
0.00031333 -0.00003019 -0.00010451
-0.04229043 -0.02518260 -0.01024278
-1.87285068 -17.30167280 19.91397362
0.00013294 0.00049179 -0.00058135
0.02179157 -0.01761679 -0.01209296
-3.48815494 5.54967545 -6.84090624
-0.00081770 -0.00008883 0.00022110
0.00692278 -0.00822876 -0.00662212
-3.50737294 8.37602181 -7.02130982
-0.00028766 0.00106220 0.00095080
-0.00763013 0.02819422 0.01639262
-20.99773705 28.42156093 -0.04046428
-0.00048892 -0.00018219 0.00060115
-0.00180639 0.00488700 0.00770840
-18.83048913 29.17723655 1.64558438
-0.00102534 0.00054612 0.00030137
-0.02444212 0.01200225 -0.00440219
8.89975141 2.54565440 5.96391977
0.00014858 -0.00081385 -0.00043813
0.00751053 0.02073662 0.04033936
9.00674819 4.95958772 7.83538956
0.00010813 0.00089421 0.00043936
0.00048274 -0.00057245 0.00250336
6.98448887 14.60894962 -14.99355791
-0.00024013 0.00053596 0.00149222
0.00341019 0.00538851 -0.00081160
6.03021199 12.69588252 -13.21823250
0.00081660 -0.00055858 -0.00020961
-0.01176617 -0.06815334 0.00621171
13.23570807 5.32147722 -3.51365922
-0.00034511 0.00054648 0.00023365
0.00949910 -0.01405498 -0.00493787
13.61666810 4.09898079 -1.07452322
-0.00009297 -0.00062174 -0.00074283
0.00724993 -0.02153965 -0.02704435
-5.53637977 9.55850677 0.27803975
0.00047977 -0.00022680 -0.00020745
-0.01730604 0.03121101 -0.02005192
-7.96350833 11.24785959 0.38063715
-0.00090280 -0.00178081 -0.00082723
0.01048562 -0.00394179 -0.00631132
4.54217233 12.72863942 2.15950547
0.00051391 -0.00019233 0.00011115
0.00775210 0.00534904 0.00757288
7.21361875 11.91629602 2.71078679
0.00046095 0.00001969 -0.00105818
0.04952883 -0.04814305 -0.01259358
20.34489948 -12.95263344 -10.58246168
0.00041972 0.00020214 0.00047744
0.03372001 0.00757919 -0.01526576
22.17931999 -13.67958118 -12.85277920
-0.00061308 -0.00022788 -0.00024159
0.00137701 0.01877680 0.02201180
17.85570028 -6.33270251 2.04022198
0.00091286 0.00110658 0.00077708
0.02292774 0.00497239 -0.03521314
15.97333148 -8.08164531 3.22362134
0.00051321 -0.00001855 0.00040099
0.00581704 0.03113325 0.00399809
14.00016777 8.43571953 10.75417802
0.00049867 -0.00083803 0.00018851
0.01621804 -0.01310110 -0.00790389
16.41335611 6.80542752 11.28695346
0.00041276 -0.00055161 -0.00088739
0.00417139 -0.00092359 0.00806152
2.85605712 -13.36856509 14.79378677
-0.00060643 0.00143601 0.00065413
-0.00690090 -0.00440249 0.00543119
3.80172765 -12.39866543 17.32551579
-0.00062340 0.00094596 -0.00100755
0.00634338 0.01335304 0.00810503
-3.31867403 -2.50042264 -10.21999691
-0.00029697 -0.00076020 -0.00010979
-0.00167408 -0.02052112 0.01290956
-1.85579095 -0.38130562 -11.56826706
-0.00046373 -0.00026094 0.00020516
-0.02514627 -0.00355968 0.00955391
14.84559035 -7.65328146 -11.21362439
-0.00040046 0.00042701 -0.00090138
-0.00290582 0.00332454 -0.03242911
16.77459818 -6.89257851 -8.89929615
0.00034414 -0.00018536 0.00079390
-0.01373901 -0.01155051 -0.01780664
7.00096821 -2.80669985 6.19508309
0.00117157 -0.00013835 -0.00087811
0.00720791 0.00276070 -0.01805676
9.92218618 -2.93284028 4.86219480
0.00053513 -0.00084692 -0.00013650
-0.02334401 -0.00602730 0.01535388
-21.78320333 1.55187868 22.83132003
0.00058171 -0.00097233 -0.00014699
-0.00012136 0.00166243 -0.02833861
-22.61558485 0.56274414 25.31385641
-0.00030197 0.00031783 -0.00025719
-0.01540015 -0.01213402 0.00762533
25.49695263 -3.00848178 -7.65017502
0.00044149 -0.00001531 -0.00053575
-0.00102247 0.00805120 0.00264243
23.66787370 -0.63478426 -7.24402974
-0.00006261 0.00059574 0.00076651
0.00061678 -0.00572437 -0.00281431
11.09464967 -12.75372694 -8.48662196
0.00099898 -0.00069940 0.00042940
-0.00479849 0.00273617 -0.01204886
12.60030012 -10.32723575 -9.43758179
0.00002735 0.00052268 0.00061310
-0.00772568 -0.01866456 -0.01042290
-5.41921910 -10.46599301 18.42421457
0.00092002 0.00003263 -0.00047140
-0.00540646 0.00350577 -0.01654734
-6.22034954 -9.72468343 15.51941264
-0.00036235 -0.00000720 -0.00136708
0.00141499 -0.00326479 0.00940275
8.68274890 0.93797003 -31.67543573
0.00034497 0.00057645 -0.00042969
0.00680575 0.00701865 0.01075905
6.40470095 2.45981171 -31.10602635
0.00042214 -0.00004522 -0.00049538
-0.01497847 0.00697802 -0.00510870
11.32968777 18.43949290 13.55737181
0.00070862 -0.00071854 -0.00060510
-0.00037373 0.02627761 -0.02248882
12.09626157 16.02782754 14.57988075
-0.00048383 -0.00057629 0.00014676
0.00722568 -0.01680292 0.00070472
30.50774899 5.51264132 -8.20968033
0.00060361 -0.00022367 0.00039695
0.00145196 0.00164039 0.00288339
29.08441226 7.89614755 -7.22344815
-0.00141726 0.00030212 0.00024540
-0.03662262 0.00607457 0.00632305
-8.40200009 4.93012925 5.65533179
-0.00008363 -0.00017993 -0.00007138
0.00639768 0.00507727 0.00931191
-10.76619567 10.13492920 3.46954921
0.00004575 0.00004108 -0.00014154
0.00169774 -0.00350838 0.00122293
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08212019
0.32034916
426.84919435
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3412172578 (a.u.)
total exchange computation time: 2.7093908787 s
-154.2152371957
-931.40542977
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3408883531 (a.u.)
total exchange computation time: 2.7096240520 s
-154.2184691712
Anderson extrapolation: theta=1.3768832187 (1.3768832187)
-931.40567156
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3403420475 (a.u.)
total exchange computation time: 2.7115578651 s
-154.2236074329
Anderson extrapolation: theta=0.0625507166 (0.0625507166)
-931.40582159
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3402340173 (a.u.)
total exchange computation time: 2.7097511292 s
-154.2245340553
Anderson extrapolation: theta=2.1911839282 (2.0000000000)
-931.40582896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3399978361 (a.u.)
total exchange computation time: 2.7126491070 s
-154.2265287260
Anderson extrapolation: theta=0.3375085374 (0.3375085374)
-931.40583809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.599 s
total exchange = -52.3399202538 (a.u.)
total exchange computation time: 2.7093980312 s
-154.2271624647
Anderson extrapolation: theta=1.2409739885 (1.2409739885)
-931.40584031
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3398477092 (a.u.)
total exchange computation time: 2.7106778622 s
-154.2277363348
Anderson extrapolation: theta=0.4156410383 (0.4156410383)
-931.40584218
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3398426100 (a.u.)
total exchange computation time: 2.7139220238 s
-154.2277585090
Anderson extrapolation: theta=0.8884108245 (0.8884108245)
-931.40584277
-211.633426 122.251378 -35.997261
566.187533 1067.003029 -419.069897
354.554107 1189.254407 -455.067158
1321.786964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3398574794 (a.u.)
total exchange computation time: 2.7091999054 s
678.25071921
-1082.74165494
89.92958107
-389.76910969
-174.73552124
77.76150566
551.60419304
0.00000000
-931.40584308
5.64575690 -31.17751826 -3.82453542
-0.00002148 -0.00014360 0.00015370
-0.01380939 -0.01262524 0.00642504
-11.76080862 -1.02746285 -11.86572597
-0.00025648 0.00011059 0.00003094
0.01139011 0.00943173 0.01571347
-38.04380643 2.32215598 3.42117204
0.00014144 -0.00002317 -0.00016847
0.01625316 0.01608202 -0.01825683
-9.49078503 -2.78321731 2.58390662
-0.00056883 -0.00007644 -0.00026780
0.03423808 -0.00901957 0.01575953
0.62239058 -0.18267441 8.98132140
0.00021223 -0.00019678 -0.00004129
0.03001359 0.01235522 0.02404560
-32.40255876 2.75654714 1.86921449
0.00002989 -0.00001185 -0.00027733
0.04148037 -0.02417044 0.00999404
13.91643369 13.54535061 -14.31664344
0.00040847 0.00038218 -0.00013983
-0.01301523 0.00689437 -0.00129937
-3.92177413 7.07410975 4.18339996
-0.00025724 0.00011470 -0.00048479
0.00802389 0.00041768 -0.01779411
5.73943386 16.69812121 -8.55367799
0.00011207 0.00005011 0.00031448
-0.00565221 0.00142128 0.00976894
6.88008254 7.08659814 -21.03766434
-0.00023074 0.00038771 -0.00002268
0.03033024 -0.00550138 -0.01215847
23.56205831 17.09067580 -2.35066342
-0.00042518 0.00004460 0.00034413
0.02690955 0.01131363 -0.01504608
1.34408871 12.81437329 -21.09945681
0.00005190 0.00017034 0.00018213
0.00935086 0.03066581 0.02222642
10.31867262 -3.62251095 -1.77770056
0.00013894 -0.00001199 0.00024400
0.00677473 -0.04241882 0.00874074
-17.96627163 -2.63845167 4.64133750
0.00024262 -0.00012034 0.00016378
-0.01911794 -0.01002008 0.00736887
-15.23663709 0.11353217 18.65613464
-0.00017666 0.00013378 -0.00019261
-0.00543898 -0.01784195 0.00765738
2.79979520 2.73024862 -2.96526919
-0.00005029 0.00010456 0.00020560
-0.02193080 0.00882502 0.00761500
23.37475475 -7.73974732 -9.57089703
0.00001803 -0.00024570 -0.00017990
0.02244645 0.00727584 0.01094474
1.37415982 -8.01786360 6.66545728
0.00008540 0.00010325 0.00011024
0.00561503 0.00527553 -0.02714744
-3.83589174 -1.29691565 -18.24182226
0.00024449 0.00052911 0.00014354
0.00520393 0.00293054 0.01160990
3.34745540 4.25292643 -10.74205221
-0.00037947 0.00008993 0.00024410
0.00676746 -0.01769621 0.02058260
-2.68148720 16.90988086 13.83211589
-0.00001515 -0.00020391 0.00010496
0.00648674 0.00413207 0.04104734
-2.21701550 2.06437894 -7.05287160
-0.00019416 0.00000189 0.00001370
0.00283227 -0.04017964 -0.00228438
-6.63218983 -2.02893947 -4.37299808
0.00006417 -0.00004672 -0.00008833
-0.02882860 -0.01334122 -0.01975930
0.34888395 28.17320560 7.26059622
0.00006558 0.00012078 0.00019612
-0.02346706 0.02019172 -0.04885146
10.02753832 -9.11020886 -1.45035629
-0.00002740 -0.00002091 -0.00004800
-0.00845469 0.00546420 -0.02643842
-6.81294264 0.33160206 7.59176570
-0.00001333 0.00012771 0.00005413
-0.02347825 0.01561664 -0.02959562
18.56317229 11.75583187 6.29258753
0.00012421 -0.00015075 0.00020187
0.05721072 0.00285467 0.00759631
-3.25831745 -3.99878157 -23.29902774
0.00007044 -0.00008892 -0.00011422
-0.00465866 0.03732620 0.04650021
-13.65289049 8.25257844 8.22471818
0.00000947 0.00009502 0.00033034
0.00651083 0.01153667 0.00307517
-11.95133835 7.55884270 -2.57157056
-0.00040372 -0.00023214 -0.00012067
0.00971464 0.03485401 -0.01089464
-3.18928525 -16.22473118 20.40570800
-0.00046655 -0.00022221 0.00009234
0.02688887 0.04520682 0.02029284
-3.14668852 6.92369567 -7.99102245
-0.00034950 -0.00014732 0.00009571
-0.00641751 -0.00113337 -0.00562777
-20.69094221 29.51549449 1.40406087
0.00012446 0.00005889 -0.00018063
0.02598791 -0.00490378 -0.00344483
9.77689992 3.28672667 7.53484247
0.00011050 -0.00035484 -0.00005263
-0.01444298 -0.01299473 -0.04104027
6.36461428 14.38564602 -13.28504037
0.00010753 0.00051866 0.00037684
0.00444069 0.04917154 0.00196513
14.16035569 3.82188125 -2.88712890
-0.00007649 -0.00022063 0.00023512
-0.01742922 0.03169183 0.02670906
-6.33590310 11.09863540 -0.51720016
0.00019419 -0.00007651 0.00014931
0.00631559 -0.02893861 0.02793069
6.06606966 13.09954092 3.18093206
0.00012657 0.00034996 -0.00004049
-0.04988202 0.03911727 0.00882776
21.89053857 -12.30639590 -11.52786695
0.00013829 0.00019960 -0.00034020
-0.03251641 -0.02802736 -0.00552674
16.67852819 -6.33089881 3.35325070
0.00000787 -0.00012342 -0.00000405
-0.02953750 -0.03072690 0.02304010
15.25670465 7.25421012 9.96022006
0.00007959 -0.00004712 -0.00019431
-0.01834160 0.00741243 -0.00776666
3.09762551 -13.86056930 16.54398982
-0.00023726 -0.00010926 -0.00015239
0.00357257 -0.00629364 -0.01415023
-3.56544459 -0.78389757 -10.72918972
0.00007767 -0.00037927 -0.00013104
0.02282937 0.01763222 -0.02423803
15.31352153 -7.96234838 -9.51879264
0.00026543 0.00009079 -0.00001325
0.00761659 0.01255637 0.04193664
8.77563363 -3.29968770 6.33249939
0.00028968 -0.00039978 0.00009036
0.03418213 -0.00636148 -0.00258243
-21.37844955 1.61215200 24.55487561
-0.00026159 -0.00001491 -0.00009927
0.01667853 0.00867482 0.01812809
24.91792553 -1.70501383 -6.46181822
-0.00007197 -0.00002992 -0.00010031
0.00495374 -0.00593205 -0.00285378
11.61419790 -11.82604298 -10.00119517
0.00019313 -0.00006948 -0.00010981
0.01553851 0.01792491 0.01885937
-4.87495504 -10.23796458 16.65525648
0.00001360 -0.00007706 0.00003362
0.00555949 -0.00573279 -0.00066072
8.05816979 2.19482171 -30.42218425
0.00031247 0.00043124 -0.00045698
0.00548332 -0.01920107 -0.01480856
10.82792289 17.28632705 14.82161448
0.00007196 -0.00045100 -0.00012582
-0.00473644 -0.00168655 0.01050004
30.66940864 7.28144927 -7.69441452
0.00010755 -0.00010334 0.00003638
0.02358794 -0.00445196 0.00716720
5.70696005 -30.10574392 -5.25572831
-0.00004793 -0.00021694 0.00042709
0.01076993 0.01365107 -0.02433120
4.02149196 -30.69865389 -3.16708956
-0.00088015 -0.00053016 0.00009596
-0.00667464 0.00260056 0.01318227
-12.31343478 -2.28501103 -13.11666043
-0.00015708 0.00091021 -0.00085656
-0.00612684 0.00455715 -0.00951939
-11.75140647 0.62061352 -12.73744476
0.00051163 -0.00058851 0.00064716
-0.00618710 -0.00688308 0.00005668
-37.89911901 3.65116876 2.04422994
0.00061044 0.00078218 -0.00001317
-0.01777766 -0.02055338 0.02519263
-39.64183047 1.40558074 3.36157458
-0.00012862 0.00056189 0.00036169
0.00320370 0.01067962 -0.00801274
-9.95839634 -3.05636877 0.80824284
0.00087929 -0.00055241 -0.00022727
-0.00397301 -0.00500576 0.00031314
-7.89855905 -3.84598985 2.96012821
-0.00120052 0.00114312 0.00102499
-0.03917196 0.02051550 -0.01184111
0.15000449 -0.20059619 7.29570761
0.00025865 -0.00040930 0.00064504
-0.01945193 -0.00937778 -0.04257967
2.01416578 1.02758336 8.85733818
-0.00000417 0.00039495 -0.00036739
-0.00450750 -0.00437934 0.01476316
-31.92917334 0.98979740 2.36929598
-0.00107756 0.00062936 0.00075619
0.00089409 0.01293279 -0.01210510
-34.11186034 2.76046092 2.29794120
-0.00010625 0.00087103 -0.00007104
-0.03857402 0.00312463 0.00341358
12.50064292 12.76230561 -15.23975891
-0.00051628 -0.00067788 -0.00088425
0.02443360 0.00642594 0.00299505
15.54451671 13.26248960 -15.13579393
-0.00076755 -0.00059670 0.00007343
-0.01253662 -0.00969721 0.00216834
-3.87335287 8.89541120 4.58477241
-0.00029180 -0.00045060 0.00056803
-0.00263294 -0.00244529 0.00715531
-3.07731275 6.94487954 2.51863962
-0.00171992 -0.00026278 0.00051878
-0.00549184 -0.00458378 0.01597384
5.74765693 16.36839039 -10.35238528
0.00044873 -0.00083242 -0.00053180
0.00546084 -0.00492721 -0.00489669
7.50524458 16.94138132 -8.06773433
0.00036091 -0.00009168 0.00040899
0.00459934 -0.00013769 -0.00258734
8.05549557 7.21299411 -22.58160541
-0.00000151 -0.00010766 0.00047508
-0.02052692 -0.00166212 0.01446233
8.16460697 7.42073672 -19.73977773
-0.00034505 0.00042133 -0.00020392
-0.01047352 0.00364260 -0.00302499
21.91171173 17.86632015 -2.11495080
-0.00028192 0.00031798 -0.00084480
-0.00936315 -0.00146142 0.00307712
24.51165570 18.32505770 -3.41458611
0.00040398 -0.00069124 0.00014269
-0.01426925 -0.01556594 0.01149090
1.11355806 11.15054780 -21.69156047
0.00087886 0.00016838 0.00085570
-0.00931152 -0.02445399 -0.01436234
0.93037906 14.18241255 -22.24719710
-0.00071514 -0.00007778 0.00042259
0.00042040 -0.00831781 -0.00816969
9.90139161 -5.48399661 -1.53001706
0.00002452 0.00141864 -0.00023009
0.00879129 0.03414812 -0.00518503
8.79021903 -2.66670852 -1.70654710
0.00104792 0.00048943 -0.00180097
-0.01182816 0.00447113 -0.00617096
-18.97476292 -4.12428359 5.00783093
0.00046995 0.00036657 0.00030888
-0.00511955 0.00457282 0.01043509
-17.36673657 -3.14338129 3.02710831
0.00077084 0.00028965 0.00048312
0.01107314 0.00316613 -0.01869747
-15.28877805 0.00911535 16.84209186
-0.00061806 0.00041806 0.00006892
0.00285927 -0.00070249 -0.00668195
-13.97714044 1.34919494 18.95421511
0.00049137 -0.00084947 0.00002062
0.01174506 0.01246740 0.00372355
3.17020703 3.48171540 -4.55368167
0.00027232 -0.00032712 0.00000636
-0.00424147 0.01801243 -0.00867424
3.80663536 1.24154434 -3.14208310
-0.00120319 -0.00060829 -0.00078244
0.01236036 -0.01420256 0.00926698
22.89095878 -9.36833951 -10.19886060
-0.00038309 -0.00030339 -0.00024440
-0.00477116 -0.01907611 -0.01031001
24.98595938 -7.93519234 -8.68723869
0.00052525 0.00011810 0.00073681
-0.01196513 0.00536005 -0.00677371
2.11722593 -8.33470195 4.97665441
0.00067314 -0.00117314 0.00035648
-0.00904986 -0.00103210 0.02069888
2.77324323 -7.44573101 7.69491863
0.00029909 -0.00073434 0.00165998
0.00114990 -0.00447606 0.00329552
-4.18934444 -2.94005019 -17.50932886
0.00032814 -0.00022804 0.00056194
0.00382716 -0.00245647 -0.00532105
-4.80149839 -0.24446382 -17.01895746
-0.00018850 -0.00045216 0.00066677
-0.00216627 -0.00504626 -0.01321421
2.27620887 4.80171306 -12.07892353
-0.00021668 -0.00018002 -0.00086840
-0.01032399 0.01185569 -0.01703332
2.16099073 3.48952215 -9.57412834
0.00052673 0.00019716 0.00109568
-0.00130467 0.00563470 -0.00017840
-1.10198442 15.92415420 13.51535555
0.00114479 0.00110889 -0.00047493
-0.00235260 -0.00199486 -0.01363962
-2.44284185 17.05810962 15.69688935
0.00046772 0.00009212 0.00077317
-0.01514889 0.00340812 -0.02509562
-1.71131669 0.89952273 -5.68583035
0.00026824 0.00079838 -0.00026818
-0.01074208 0.01608731 -0.01395938
-2.97875196 0.84339810 -8.44565265
0.00066726 0.00026041 -0.00017405
0.00994770 0.02387592 0.02696648
-8.08622784 -2.90531138 -5.21132948
-0.00112930 -0.00028118 -0.00023708
0.02252460 0.00545059 0.01759036
-7.36757561 -0.38114325 -4.14885242
-0.00067322 0.00006115 0.00019385
0.00397069 0.01119816 0.00503477
1.49790505 28.61773482 5.78770364
0.00036620 -0.00036517 -0.00026395
-0.02639733 -0.01108762 0.02805243
-1.46635980 28.43986865 6.42923381
-0.00056284 0.00049384 0.00077391
0.04661723 -0.01055159 0.01455394
8.26882947 -9.17293307 -2.08133670
0.00052166 0.00025728 -0.00038123
0.00926437 0.00314988 -0.00210414
9.92864267 -9.94466425 0.12772251
0.00026876 -0.00065301 0.00004827
0.00568296 -0.00619130 0.02670689
-5.55514081 -0.06426915 8.81204606
-0.00086863 0.00091823 0.00021541
0.00561366 -0.00870682 0.03135486
-8.43864537 -0.43685040 8.01594800
-0.00033312 0.00059548 0.00031118
0.01497314 -0.00011669 0.00656966
20.00394666 11.37998531 7.53188431
-0.00001341 -0.00019048 0.00012670
-0.03480911 0.00221366 -0.00918002
19.59778203 12.89484176 5.24559621
0.00041691 0.00080447 0.00048817
-0.01471069 -0.00334979 0.00399889
-3.40248011 -2.78265242 -21.79559476
0.00057299 0.00174778 -0.00040063
0.00824464 -0.02658230 -0.02739340
-4.60150244 -3.26683066 -24.32543708
-0.00083623 0.00072516 0.00079684
-0.00813595 -0.00493063 -0.01472547
-12.49672342 9.20512534 9.32102761
0.00029643 0.00034105 0.00002297
-0.00727831 -0.00878993 0.00883474
-13.11096873 8.92895451 6.61008069
-0.00002685 -0.00050846 -0.00007698
-0.00213014 -0.00086316 -0.00764590
-12.61211369 7.40347721 -4.30780373
0.00011905 0.00017025 -0.00089175
0.00065380 -0.00058896 0.00287386
-11.41303226 9.40103953 -2.45341369
-0.00016104 -0.00080333 -0.00040936
-0.01147110 -0.03163859 -0.00100011
-4.65367134 -17.16158469 20.27949829
0.00012993 -0.00014081 -0.00014751
-0.04748686 -0.02896799 -0.01080971
-1.87018881 -17.29483581 19.90488278
0.00021781 0.00042307 -0.00062958
0.01975420 -0.01601872 -0.01151584
-3.50020830 5.54809089 -6.83779266
-0.00078911 -0.00012053 0.00019312
0.00707436 -0.00729265 -0.00707276
-3.51192169 8.39281877 -7.00654550
-0.00031394 0.00115615 0.00100388
-0.00523459 0.01779574 0.00959249
-21.00512624 28.41897779 -0.03121078
-0.00049638 -0.00016549 0.00062861
-0.00184247 0.00328956 0.00573029
-18.84661817 29.18579613 1.64997005
-0.00111245 0.00059188 0.00028389
-0.01820050 0.01039841 -0.00415739
8.90221026 2.53408206 5.95858389
0.00017983 -0.00072606 -0.00027006
0.00778743 0.02223953 0.04193128
9.00838499 4.97298339 7.84205669
0.00011555 0.00087805 0.00044581
0.00314969 -0.00734093 0.00065497
6.98099141 14.61715416 -14.97119951
-0.00021949 0.00056205 0.00147116
0.00669516 0.00738161 -0.00949563
6.04210045 12.68541538 -13.22118625
0.00077333 -0.00081467 -0.00018430
-0.00941743 -0.05720544 0.00617728
13.23082244 5.32924378 -3.51030584
-0.00030174 0.00048138 0.00021649
0.01173042 -0.01781374 -0.00346067
13.61549572 4.08899470 -1.08649441
-0.00006599 -0.00070821 -0.00084190
0.00595514 -0.02078952 -0.02145093
-5.52971357 9.55606118 0.27431355
0.00040895 -0.00009888 -0.00028929
-0.01736134 0.03140536 -0.02000786
-7.97672895 11.22102672 0.36803535
-0.00085510 -0.00179610 -0.00085457
0.01285993 -0.00354417 -0.00707182
4.55011855 12.72591834 2.16140474
0.00054168 -0.00016976 0.00014015
0.00584263 0.00570007 0.00662319
7.22205078 11.91511611 2.69452811
0.00065087 -0.00016293 -0.00110427
0.04343502 -0.04125266 -0.00996485
20.35222851 -12.94936907 -10.57576790
0.00055787 0.00023371 0.00041429
0.03390817 0.00787227 -0.01564750
22.17016601 -13.68242395 -12.85572847
-0.00060600 -0.00015039 -0.00015148
0.00208659 0.01915089 0.02209354
17.87009579 -6.31595144 2.05079906
0.00100415 0.00112545 0.00063511
0.02176010 0.00426224 -0.03427861
15.98120784 -8.08096948 3.22975870
0.00053678 0.00010490 0.00041489
0.00571994 0.02929305 0.00280605
14.00814483 8.42274765 10.75676342
0.00056016 -0.00088635 0.00015901
0.01388240 -0.01055118 -0.00653478
16.41967527 6.79712508 11.27388968
0.00043122 -0.00055570 -0.00085241
0.00486784 -0.00108025 0.00906167
2.84674915 -13.34715986 14.80376508
-0.00063682 0.00141586 0.00066958
-0.00797590 -0.00546016 0.00213185
3.79257100 -12.38406689 17.31065096
-0.00059922 0.00099442 -0.00097311
0.00549533 0.01036985 0.00875169
-3.32317983 -2.51245443 -10.22124817
-0.00030390 -0.00083841 -0.00005836
-0.00171963 -0.01776395 0.01226577
-1.86351743 -0.38532878 -11.56489691
-0.00056176 -0.00027540 0.00024177
-0.02284267 -0.00351707 0.00836666
14.83949438 -7.64677449 -11.22813881
-0.00040667 0.00043728 -0.00101595
-0.00013538 0.00170336 -0.02365640
16.77933930 -6.89571291 -8.88793331
0.00028758 -0.00023213 0.00071911
-0.01394911 -0.01133961 -0.01880323
7.01876260 -2.80869053 6.18135815
0.00119020 -0.00012468 -0.00095108
0.00191268 0.00392949 -0.01766451
9.92949774 -2.94572885 4.86061779
0.00043926 -0.00087194 -0.00007223
-0.02358388 -0.00621864 0.01610532
-21.77448135 1.53734473 22.82824678
0.00058147 -0.00096583 -0.00026389
0.00000446 0.00151965 -0.02888663
-22.62058628 0.56713980 25.31023226
-0.00036732 0.00026638 -0.00022404
-0.01659069 -0.01305263 0.00859985
25.50354359 -3.00846464 -7.65813023
0.00043488 0.00002198 -0.00052207
-0.00221044 0.01019825 0.00405373
23.66695347 -0.62602358 -7.23261827
-0.00005993 0.00057148 0.00075350
0.00069289 -0.00614969 -0.00355458
11.10948733 -12.76413412 -8.48055020
0.00098036 -0.00068464 0.00037394
-0.00431546 0.00449168 -0.01509875
12.60047369 -10.31996748 -9.42870466
-0.00000711 0.00044096 0.00056742
-0.00914463 -0.02133711 -0.01193866
-5.40558448 -10.46539611 18.41663656
0.00089282 0.00004607 -0.00052941
-0.00791010 0.00307465 -0.01184960
-6.22574143 -9.72489154 15.49919458
-0.00034518 -0.00002504 -0.00131731
0.00698861 -0.00546404 0.01496072
8.68813196 0.94683185 -31.68155137
0.00037344 0.00060402 -0.00038623
0.00712949 0.00647528 0.01051181
6.41057402 2.45934725 -31.11361353
0.00035870 -0.00001580 -0.00051692
-0.01607610 0.00742193 -0.00543826
11.34030559 18.42952009 13.54760614
0.00070482 -0.00061597 -0.00069183
-0.00148319 0.02393066 -0.01996263
12.08922560 16.01866825 14.58210377
-0.00045075 -0.00064875 0.00014948
0.00896494 -0.01866667 0.00062370
30.51684769 5.50933654 -8.20363768
0.00060828 -0.00021785 0.00040846
0.00083301 0.00120794 0.00274753
29.06203111 7.90086545 -7.21957335
-0.00153963 0.00031529 0.00026314
-0.02327583 0.00037512 0.00235974
-8.40323733 4.92744387 5.65428615
-0.00008133 -0.00017811 -0.00006805
0.00644599 0.00512636 0.00926512
-10.76550639 10.13553936 3.46742818
0.00004613 0.00004026 -0.00014123
0.00156272 -0.00363307 0.00147003
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08264443
0.32319865
430.64599352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.599 s
total exchange = -52.3345397139 (a.u.)
total exchange computation time: 2.7094550133 s
-154.1960365137
-931.40777865
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3344014234 (a.u.)
total exchange computation time: 2.7098410130 s
-154.1979232034
Anderson extrapolation: theta=1.3731159481 (1.3731159481)
-931.40800866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3341540300 (a.u.)
total exchange computation time: 2.7113759518 s
-154.2010007479
Anderson extrapolation: theta=0.0618638377 (0.0618638377)
-931.40815049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3340914281 (a.u.)
total exchange computation time: 2.7133479118 s
-154.2016433422
Anderson extrapolation: theta=2.1726300503 (2.0000000000)
-931.40815728
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3339529478 (a.u.)
total exchange computation time: 2.7101671696 s
-154.2030294343
Anderson extrapolation: theta=0.3227568721 (0.3227568721)
-931.40816554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3339102798 (a.u.)
total exchange computation time: 2.7102320194 s
-154.2034401231
Anderson extrapolation: theta=1.2581082162 (1.2581082162)
-931.40816746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3338734119 (a.u.)
total exchange computation time: 2.7125740051 s
-154.2037895195
Anderson extrapolation: theta=0.3959646919 (0.3959646919)
-931.40816909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3338757608 (a.u.)
total exchange computation time: 2.7092659473 s
-154.2037642767
Anderson extrapolation: theta=0.9207049381 (0.9207049381)
-931.40816960
-211.654039 122.269070 -36.024606
566.195793 1067.012893 -419.048910
354.541754 1189.281963 -455.073516
1321.810632
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3338899168 (a.u.)
total exchange computation time: 2.7103619576 s
678.15891847
-1082.53632530
89.93261547
-389.90989694
-174.71959167
77.64827315
551.60419304
0.00000000
-931.40816988
5.64538149 -31.17972097 -3.82220513
-0.00002982 -0.00015008 0.00015779
-0.01863677 -0.01255550 0.00949292
-11.76461192 -1.02576765 -11.86520129
-0.00025061 0.00011408 0.00003949
0.01145217 0.00414523 0.01755326
-38.04162207 2.32187049 3.41857460
0.00015012 -0.00001443 -0.00017809
0.01749680 0.01789219 -0.01916440
-9.49918547 -2.78439869 2.57995046
-0.00055197 -0.00008038 -0.00025924
0.03133566 -0.00629783 0.01751791
0.62568984 -0.18557852 8.98079487
0.00022842 -0.00019003 -0.00002754
0.03292120 0.01392503 0.02940247
-32.40195044 2.75627614 1.86509309
0.00005016 -0.00002351 -0.00027213
0.03733731 -0.02117529 0.01022154
13.92251061 13.55110995 -14.31874588
0.00039829 0.00038489 -0.00014102
-0.02660020 0.00364049 -0.00334843
-3.92560173 7.07583179 4.17605944
-0.00025447 0.00011442 -0.00049140
0.00273440 -0.00147532 -0.00791869
5.74109317 16.69887837 -8.54892305
0.00010951 0.00005054 0.00031782
-0.00433020 0.00025181 0.00318844
6.87673843 7.09239252 -21.03805142
-0.00021543 0.00038473 -0.00002882
0.02919819 -0.00606568 -0.01172227
23.55578435 17.09138842 -2.34555945
-0.00041098 0.00005026 0.00033629
0.02830552 0.01070575 -0.01546637
1.34490332 12.81704666 -21.09663918
0.00005686 0.00018641 0.00019401
0.00991070 0.03184419 0.02396712
10.32078288 -3.62285446 -1.77400680
0.00014384 -0.00003242 0.00024814
0.01226296 -0.03702133 0.00733490
-17.96270612 -2.64029545 4.64382256
0.00023328 -0.00012449 0.00016775
-0.01718767 -0.00612084 0.00807204
-15.23930793 0.11547005 18.65327500
-0.00017959 0.00012436 -0.00018827
-0.00597532 -0.01878743 0.00923490
2.79895633 2.73185108 -2.96215578
-0.00006133 0.00010892 0.00020917
-0.02103568 0.00811169 0.00625286
23.37511179 -7.74340481 -9.57355331
0.00003062 -0.00024222 -0.00017370
0.02652806 0.00628493 0.01316836
1.37546243 -8.01629457 6.66700614
0.00008939 0.00010622 0.00009699
0.00991132 0.00628971 -0.02436980
-3.83220431 -1.28896765 -18.23962437
0.00024675 0.00052911 0.00015023
0.00358824 -0.00293213 0.01438980
3.34178947 4.25420709 -10.73831127
-0.00037632 0.00008140 0.00025354
0.00547033 -0.01547668 0.01610186
-2.68168939 16.90683815 13.83384856
-0.00001119 -0.00020178 0.00012693
0.00890509 0.00416389 0.04440266
-2.21991695 2.06425237 -7.05267488
-0.00019275 -0.00001778 0.00001191
0.00266301 -0.03632007 -0.00469799
-6.63133844 -2.02969168 -4.37439918
0.00004772 -0.00005342 -0.00009899
-0.03513831 -0.01271357 -0.02171678
0.34977711 28.17509513 7.26334958
0.00005350 0.00013123 0.00017071
-0.02351732 0.02046124 -0.04994705
10.02709475 -9.11050143 -1.45117820
-0.00003101 -0.00001845 -0.00006060
-0.00558635 0.00408699 -0.02259313
-6.81323308 0.33357794 7.59246342
-0.00002653 0.00013583 0.00003812
-0.02786775 0.01597578 -0.03263102
18.56525618 11.75358160 6.29564494
0.00015392 -0.00014867 0.00020514
0.05830310 0.00524130 0.00508389
-3.25727882 -3.99997138 -23.30056166
0.00006721 -0.00006835 -0.00009006
-0.00789061 0.04265168 0.04746530
-13.65272326 8.25404829 8.22968507
0.00001299 0.00010105 0.00033174
0.00716600 0.01191681 0.00237954
-11.95735661 7.55549503 -2.57342266
-0.00039902 -0.00021493 -0.00012717
0.00855740 0.03207281 -0.01437983
-3.19617973 -16.22788995 20.40717142
-0.00045113 -0.00019888 0.00010267
0.03305167 0.04553237 0.01986340
-3.15195573 6.92148149 -7.98960855
-0.00035343 -0.00014546 0.00009457
-0.00887551 0.00837290 0.00121154
-20.68897512 29.51635891 1.40133818
0.00013594 0.00005725 -0.00018195
0.01865663 -0.00146590 -0.00168905
9.77850172 3.28135390 7.53389476
0.00010246 -0.00036005 -0.00007349
-0.01682248 -0.00724916 -0.04008028
6.36624439 14.39361554 -13.27938020
0.00010826 0.00054006 0.00038021
-0.00162056 0.03404103 0.01115875
14.15914109 3.81869410 -2.88349902
-0.00008551 -0.00020373 0.00024680
-0.01764454 0.03400405 0.01870344
-6.33296588 11.09737608 -0.51485270
0.00019682 -0.00009130 0.00016374
0.00389582 -0.02857630 0.02815169
6.06777583 13.10494121 3.18035876
0.00010351 0.00036783 -0.00003649
-0.03980171 0.03039150 0.00674100
21.89248755 -12.30351002 -11.53299128
0.00012152 0.00018516 -0.00034289
-0.03272276 -0.02812127 -0.00493946
16.67853229 -6.33286857 3.35327880
-0.00000655 -0.00013828 0.00000751
-0.02654073 -0.02707507 0.02191365
15.25782774 7.25353195 9.95727541
0.00007078 -0.00004401 -0.00019892
-0.01592493 0.00466888 -0.01013512
3.09408035 -13.86223245 16.54164943
-0.00023483 -0.00011135 -0.00015894
0.00590673 -0.00184654 -0.01132291
-3.56419150 -0.78951867 -10.73124887
0.00008868 -0.00037108 -0.00014287
0.02000804 0.01424552 -0.02176124
15.31753234 -7.96093814 -9.51882966
0.00026856 0.00009748 0.00000616
0.00457576 0.01348807 0.03356695
8.78011066 -3.30570891 6.33384483
0.00030853 -0.00040328 0.00008891
0.03913630 -0.00727350 -0.00305224
-21.38230901 1.61196182 24.55345652
-0.00025292 -0.00001025 -0.00009025
0.01700674 0.00942616 0.01692232
24.91686514 -1.70548551 -6.46333388
-0.00006914 -0.00003334 -0.00010192
0.00604587 -0.00738287 -0.00341981
11.61715484 -11.82701598 -10.00276959
0.00020126 -0.00006013 -0.00009911
0.01607133 0.01843401 0.02274925
-4.87472966 -10.23914262 16.65575816
0.00001584 -0.00007943 0.00003059
0.00317509 -0.00347974 -0.01111719
8.06287804 2.20121632 -30.42909613
0.00031529 0.00042148 -0.00046441
0.00548422 -0.01875890 -0.01408053
10.82898402 17.27955547 14.81976770
0.00006955 -0.00045071 -0.00012120
-0.00463676 0.00284149 0.00746473
30.67111293 7.27988199 -7.69384114
0.00011651 -0.00010410 0.00004113
0.01122295 0.00149356 0.01129099
5.70657108 -30.10857971 -5.25006751
-0.00000413 -0.00015865 0.00032497
0.01067219 0.01488453 -0.02566064
4.00808511 -30.70652659 -3.16524626
-0.00089772 -0.00052189 0.00014591
-0.00192174 0.00144845 0.01127048
-12.31597867 -2.27121827 -13.12980053
-0.00018231 0.00092733 -0.00089439
-0.00622611 0.00382422 -0.00899950
-11.74392162 0.61157502 -12.72773563
0.00048654 -0.00060505 0.00064244
-0.00609276 -0.00121757 -0.00236485
-37.89050720 3.66227165 2.04480442
0.00053609 0.00069496 0.00009225
-0.01861791 -0.02213921 0.02641030
-39.64366159 1.41433638 3.36675433
-0.00011670 0.00060510 0.00032813
0.00263085 0.01046980 -0.00841533
-9.94532867 -3.06480837 0.80484336
0.00086148 -0.00057269 -0.00022916
-0.00474652 -0.00491746 -0.00123876
-7.91776715 -3.82821435 2.97514020
-0.00135249 0.00122128 0.00097730
-0.03521874 0.01774288 -0.01150439
0.15328822 -0.20702303 7.30407841
0.00017571 -0.00044838 0.00045959
-0.02114932 -0.00975519 -0.04820003
2.01396510 1.03337346 8.85227969
-0.00002491 0.00037452 -0.00030657
-0.00564650 -0.00562268 0.01500776
-31.94530931 0.99963415 2.38026783
-0.00107097 0.00067523 0.00070759
0.00233074 0.00951747 -0.01168420
-34.11463613 2.77362215 2.29698025
-0.00025866 0.00088473 -0.00005855
-0.03602969 0.00358125 0.00269675
12.49364738 12.75233428 -15.25293081
-0.00040298 -0.00064324 -0.00086180
0.03102980 0.01053336 0.00799440
15.53261928 13.25324193 -15.13462608
-0.00080461 -0.00063780 0.00007638
-0.00560344 -0.01042012 -0.00072427
-3.87781059 8.88857723 4.59351216
-0.00030179 -0.00045607 0.00059604
-0.00225756 -0.00023065 0.00655435
-3.10327984 6.94079739 2.52691085
-0.00173225 -0.00028156 0.00056555
-0.00054531 -0.00461102 0.00691676
5.75455525 16.35575313 -10.36051229
0.00047105 -0.00084951 -0.00053726
0.00546349 -0.00343774 0.00222218
7.51079921 16.94000195 -8.06167879
0.00037655 -0.00009260 0.00039751
0.00305493 -0.00031362 -0.00303038
8.05484385 7.21132821 -22.57403599
-0.00008461 -0.00011402 0.00053056
-0.02014864 -0.00145024 0.01269248
8.15911023 7.42716829 -19.74292925
-0.00038609 0.00043676 -0.00021343
-0.00961230 0.00390796 -0.00163018
21.90719595 17.87104508 -2.12752849
-0.00032178 0.00031286 -0.00083177
-0.01014859 -0.00104672 0.00329830
24.51727821 18.31421213 -3.41209372
0.00034502 -0.00075452 0.00019002
-0.01459398 -0.01540950 0.01167803
1.12645565 11.15232409 -21.67916506
0.00083962 0.00006422 0.00079499
-0.00989908 -0.02653294 -0.01535593
0.91966483 14.18099099 -22.24110860
-0.00071377 -0.00011044 0.00038760
0.00025235 -0.00767126 -0.00895629
9.90202881 -5.46167056 -1.53362723
0.00005650 0.00154270 -0.00024920
0.00686449 0.02658017 -0.00417174
8.80557542 -2.65923006 -1.73375071
0.00099171 0.00051222 -0.00182595
-0.01568973 0.00668600 -0.00605909
-18.96787057 -4.11864499 5.01278390
0.00044527 0.00037876 0.00035214
-0.00695953 0.00139888 0.01073932
-17.35483466 -3.13893955 3.03378221
0.00081616 0.00030104 0.00040426
0.01111157 0.00241251 -0.01990702
-15.29796132 0.01536472 16.84292091
-0.00060618 0.00041501 0.00003773
0.00295446 -0.00078912 -0.00858508
-13.96941003 1.33683491 18.95463858
0.00054085 -0.00079682 0.00003598
0.01247776 0.01330547 0.00379397
3.17416186 3.47736061 -4.55385204
0.00025449 -0.00025295 -0.00002767
-0.00448742 0.01829234 -0.00798666
3.78896626 1.23198472 -3.15353570
-0.00115400 -0.00066547 -0.00074310
0.01172006 -0.01378760 0.00999087
22.88506629 -9.37347498 -10.20284250
-0.00040059 -0.00037839 -0.00028471
-0.00379611 -0.01763469 -0.00942202
24.99347148 -7.93325664 -8.67639413
0.00046646 0.00014006 0.00070285
-0.01681086 0.00538947 -0.00984885
2.12704578 -8.35233075 4.98263591
0.00063605 -0.00117548 0.00044363
-0.00910593 -0.00010906 0.02196142
2.77776483 -7.45688321 7.71991934
0.00029513 -0.00075603 0.00166490
-0.00308710 -0.00614402 -0.00089005
-4.18430503 -2.94354613 -17.50106284
0.00034659 -0.00022814 0.00053441
0.00520238 0.00241090 -0.00815332
-4.80439232 -0.25140087 -17.00936089
-0.00019710 -0.00047090 0.00061247
-0.00204362 -0.00412409 -0.01336508
2.27264227 4.79937601 -12.09247148
-0.00025380 -0.00013639 -0.00092718
-0.00784558 0.00950398 -0.01174000
2.16885168 3.49265220 -9.55769858
0.00051888 0.00022061 0.00109316
-0.00253579 0.00584565 -0.00105790
-1.08488467 15.94072646 13.50781367
0.00113102 0.00110146 -0.00052918
-0.00438765 -0.00164413 -0.01291886
-2.43629020 17.05959592 15.70771787
0.00040492 0.00010467 0.00066205
-0.01559504 0.00273406 -0.02929944
-1.70762230 0.91199142 -5.69028088
0.00022600 0.00085809 -0.00031927
-0.00993558 0.01314060 -0.01104899
-2.96843829 0.84803581 -8.44743705
0.00070609 0.00035559 -0.00006450
0.00906111 0.02271976 0.02665694
-8.10247715 -2.90936206 -5.21434667
-0.00102771 -0.00025408 -0.00016014
0.02720702 0.00781427 0.02007465
-7.37755219 -0.37988292 -4.14579042
-0.00065376 0.00010092 0.00021363
0.00555304 0.00827365 0.00464687
1.50258915 28.61191749 5.78460396
0.00025490 -0.00041056 -0.00014682
-0.02808371 -0.01113106 0.02928374
-1.47337389 28.44695284 6.44128838
-0.00036915 0.00044975 0.00083231
0.04819314 -0.01102667 0.01403409
8.27693824 -9.16897741 -2.08711960
0.00055451 0.00026922 -0.00038996
0.00681526 0.00269888 -0.00217068
9.93284826 -9.95464908 0.12926497
0.00029152 -0.00067481 0.00014990
0.00545611 -0.00448172 0.02303843
-5.56799822 -0.05076255 8.81623795
-0.00083811 0.00088062 0.00035030
0.00932629 -0.00970058 0.03467689
-8.44318340 -0.42792176 8.02081708
-0.00027038 0.00059578 0.00033731
0.01574074 0.00026383 0.00622048
20.00267892 11.37719600 7.53350345
-0.00015394 -0.00018170 0.00009037
-0.03398143 0.00208097 -0.00860186
19.60358485 12.90680620 5.25304132
0.00035267 0.00078565 0.00050850
-0.01673187 -0.00586606 0.00595283
-3.39363255 -2.75725027 -21.80244365
0.00060801 0.00163229 -0.00051627
0.00889666 -0.02994926 -0.02921179
-4.61429520 -3.25610442 -24.31393572
-0.00086470 0.00070064 0.00073836
-0.00579890 -0.00707086 -0.01390290
-12.49250005 9.20997173 9.32164288
0.00026605 0.00030438 0.00005843
-0.00759092 -0.00915766 0.00852393
-13.11143675 8.92130123 6.60869163
-0.00003600 -0.00051243 -0.00010626
-0.00234838 -0.00108232 -0.00668693
-12.61030786 7.40601298 -4.32109187
0.00012272 0.00016719 -0.00087451
0.00114302 -0.00091078 0.00556139
-11.41579932 9.38802006 -2.45958476
-0.00020615 -0.00092652 -0.00041207
-0.01061009 -0.02866173 -0.00032765
-4.65317753 -17.16458450 20.27695432
-0.00007044 -0.00026432 -0.00019260
-0.05059796 -0.03148966 -0.01126106
-1.86631628 -17.28898056 19.89508618
0.00029248 0.00036216 -0.00067472
0.01679638 -0.01379759 -0.01057864
-3.51182811 5.54605940 -6.83511254
-0.00075990 -0.00014828 0.00016337
0.00722355 -0.00628938 -0.00748950
-3.51679126 8.41070636 -6.99119330
-0.00033077 0.00120813 0.00102959
-0.00299946 0.00764751 0.00299186
-21.01262835 28.41659625 -0.02160609
-0.00050412 -0.00015562 0.00064772
-0.00195023 0.00154330 0.00362666
-18.86386265 29.19499299 1.65410093
-0.00117191 0.00063073 0.00026784
-0.01090761 0.00861799 -0.00369724
8.90514638 2.52387269 5.95581782
0.00021151 -0.00063303 -0.00009717
0.00771767 0.02329893 0.04270287
9.01021482 4.98592917 7.84876397
0.00013329 0.00083542 0.00044498
0.00553189 -0.01352722 -0.00106137
6.97790427 14.62581110 -14.94942305
-0.00018534 0.00059616 0.00141442
0.01002144 0.00931737 -0.01828060
6.05341175 12.67144233 -13.22376141
0.00074029 -0.00102157 -0.00015957
-0.00675284 -0.04407129 0.00592848
13.22665573 5.33591859 -3.50716455
-0.00025002 0.00040213 0.00020494
0.01358943 -0.02098081 -0.00219342
13.61468830 4.07773450 -1.09978024
-0.00004506 -0.00079127 -0.00091605
0.00429164 -0.01986707 -0.01484478
-5.52411137 9.55554030 0.26936114
0.00033891 0.00002804 -0.00037004
-0.01692151 0.03072628 -0.01951928
-7.98916144 11.19397664 0.35500014
-0.00079801 -0.00180955 -0.00088481
0.01508927 -0.00304029 -0.00773454
4.55842285 12.72354659 2.16370992
0.00056112 -0.00014606 0.00016481
0.00366928 0.00590246 0.00544742
7.23314479 11.91140798 2.67765872
0.00081234 -0.00031394 -0.00113790
0.03560574 -0.03266728 -0.00649671
20.36163565 -12.94562224 -10.57003310
0.00069528 0.00026590 0.00035052
0.03335255 0.00788793 -0.01556406
22.16113990 -13.68409302 -12.85732372
-0.00059589 -0.00007205 -0.00006183
0.00286534 0.01919941 0.02179442
17.88582488 -6.29893915 2.05927535
0.00108794 0.00114123 0.00049982
0.01925446 0.00346453 -0.03194595
15.98943476 -8.07849839 3.23606804
0.00055933 0.00021903 0.00042385
0.00531901 0.02657587 0.00158084
14.01697269 8.40912913 10.75894832
0.00061127 -0.00092354 0.00013568
0.01113210 -0.00765692 -0.00488754
16.42629276 6.78875643 11.26138125
0.00045199 -0.00056024 -0.00081403
0.00530080 -0.00113995 0.00972202
2.83695237 -13.32608926 14.81387404
-0.00067160 0.00139156 0.00067157
-0.00904893 -0.00643765 -0.00115327
3.78375114 -12.36883282 17.29632248
-0.00057877 0.00102978 -0.00093644
0.00451486 0.00693847 0.00920031
-3.32779102 -2.52557491 -10.22174771
-0.00031109 -0.00090410 -0.00000993
-0.00179843 -0.01439093 0.01144066
-1.87264386 -0.38956748 -11.56101401
-0.00064919 -0.00028943 0.00027298
-0.01995486 -0.00335057 0.00691104
14.83339012 -7.64016313 -11.24410304
-0.00040144 0.00044064 -0.00109419
0.00269737 -0.00005908 -0.01463876
16.78322554 -6.89954227 -8.87772285
0.00023083 -0.00027749 0.00064071
-0.01382895 -0.01086718 -0.01957609
7.03667422 -2.81044038 6.16655062
0.00118720 -0.00010625 -0.00102248
-0.00337948 0.00509471 -0.01728592
9.93536392 -2.95899853 4.86002782
0.00034337 -0.00089748 -0.00000589
-0.02335352 -0.00628364 0.01637076
-21.76575910 1.52290392 22.82340319
0.00058225 -0.00095986 -0.00038040
0.00037501 0.00140122 -0.02814110
-22.62660449 0.57073551 25.30713516
-0.00043644 0.00021216 -0.00018779
-0.01724146 -0.01348830 0.00914552
25.50999909 -3.00782250 -7.66583700
0.00042369 0.00006742 -0.00050300
-0.00326591 0.01204497 0.00527732
23.66607570 -0.61763979 -7.22142466
-0.00005691 0.00054551 0.00073751
0.00078574 -0.00656161 -0.00427186
11.12406052 -12.77426602 -8.47540379
0.00096344 -0.00066304 0.00030676
-0.00396801 0.00608147 -0.01778733
12.60008682 -10.31400688 -9.42055921
-0.00004659 0.00034954 0.00051604
-0.01018334 -0.02341231 -0.01321250
-5.39243463 -10.46461078 18.40833233
0.00085535 0.00005759 -0.00056717
-0.01042807 0.00256226 -0.00663482
-6.23070501 -9.72543451 15.47989341
-0.00030663 -0.00005123 -0.00124599
0.01188132 -0.00736003 0.01994813
8.69395196 0.95609051 -31.68702278
0.00040329 0.00062900 -0.00034423
0.00748457 0.00575514 0.01004796
6.41546184 2.45933765 -31.12153399
0.00029199 0.00001515 -0.00053941
-0.01657788 0.00773056 -0.00557077
11.35083250 18.42101390 13.53661704
0.00069599 -0.00052446 -0.00076669
-0.00284136 0.02086387 -0.01668165
12.08273906 16.00836495 14.58436501
-0.00041147 -0.00072771 0.00015188
0.01026119 -0.01998350 0.00055361
30.52599745 5.50610578 -8.19742664
0.00061044 -0.00021386 0.00041938
0.00022289 0.00074377 0.00259802
29.03822347 7.90560635 -7.21555394
-0.00160824 0.00030562 0.00026511
-0.01031224 -0.00510885 -0.00139369
-8.40443996 4.92478602 5.65329024
-0.00007901 -0.00017627 -0.00006475
0.00651002 0.00516343 0.00919931
-10.76481168 10.13613688 3.46531226
0.00004648 0.00003940 -0.00014086
0.00141284 -0.00374524 0.00174484
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08266900
0.32550088
433.71359811
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3292144629 (a.u.)
total exchange computation time: 2.7080869675 s
-154.1755619443
-931.40923062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3291474704 (a.u.)
total exchange computation time: 2.7095699310 s
-154.1767873739
Anderson extrapolation: theta=1.3475707478 (1.3475707478)
-931.40944592
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.599 s
total exchange = -52.3289769225 (a.u.)
total exchange computation time: 2.7098019123 s
-154.1790651166
Anderson extrapolation: theta=0.0508303649 (0.0508303649)
-931.40957337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3289020553 (a.u.)
total exchange computation time: 2.7121410370 s
-154.1797443420
Anderson extrapolation: theta=1.8955197830 (1.8955197830)
-931.40957784
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3287364743 (a.u.)
total exchange computation time: 2.7078499794 s
-154.1812018039
Anderson extrapolation: theta=0.2165381712 (0.2165381712)
-931.40958237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.599 s
total exchange = -52.3286919205 (a.u.)
total exchange computation time: 2.7095398903 s
-154.1815637815
Anderson extrapolation: theta=1.8726624313 (1.8726624313)
-931.40958321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3286226648 (a.u.)
total exchange computation time: 2.7086279392 s
-154.1821016999
Anderson extrapolation: theta=0.2903956841 (0.2903956841)
-931.40958426
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3286176529 (a.u.)
total exchange computation time: 2.7102658749 s
-154.1821160990
Anderson extrapolation: theta=1.3147060089 (1.3147060089)
-931.40958454
-211.678640 122.285340 -36.048591
566.201530 1067.020597 -419.030327
354.522890 1189.305937 -455.078918
1321.829002
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3286225837 (a.u.)
total exchange computation time: 2.7105319500 s
678.08021284
-1082.35812885
89.93437982
-390.03190551
-174.70552048
77.54981887
551.60419304
0.00000000
-931.40958476
5.64486231 -31.18202055 -3.81980161
-0.00004061 -0.00015637 0.00016323
-0.02332226 -0.01192067 0.01164287
-11.76832687 -1.02404047 -11.86454119
-0.00024475 0.00011474 0.00004896
0.01130957 -0.00156701 0.01924407
-38.03930273 2.32172304 3.41582931
0.00015941 -0.00000490 -0.00018805
0.01863447 0.01917760 -0.01954845
-9.50734416 -2.78562865 2.57612944
-0.00053688 -0.00008278 -0.00024995
0.02733925 -0.00304912 0.01860344
0.62924307 -0.18837521 8.98049517
0.00024585 -0.00018254 -0.00001159
0.03485496 0.01517462 0.03262228
-32.40105408 2.75584177 1.86105056
0.00006789 -0.00003350 -0.00026678
0.03164138 -0.01764717 0.01059355
13.92838231 13.55689737 -14.32087415
0.00038139 0.00038611 -0.00014305
-0.03910946 0.00111197 -0.00454272
-3.92940823 7.07754245 4.16865783
-0.00025452 0.00011323 -0.00049266
-0.00294174 -0.00314603 0.00302514
5.74271907 16.69963748 -8.54414352
0.00010764 0.00005034 0.00031785
-0.00293081 -0.00101962 -0.00306782
6.87361959 7.09814010 -21.03852894
-0.00020085 0.00038146 -0.00003468
0.02751768 -0.00664676 -0.01106767
23.54972877 17.09218363 -2.34057480
-0.00039626 0.00005555 0.00032833
0.02894849 0.00988098 -0.01546241
1.34579438 12.81996570 -21.09363665
0.00006204 0.00020275 0.00020664
0.01023785 0.03169011 0.02514613
10.32298774 -3.62348357 -1.77025645
0.00015142 -0.00004956 0.00025155
0.01723823 -0.02961107 0.00595721
-17.95927320 -2.64218644 4.64636990
0.00022503 -0.00012667 0.00017190
-0.01490309 -0.00234858 0.00806480
-15.24202487 0.11726299 18.65048660
-0.00018265 0.00011460 -0.00018314
-0.00592732 -0.01917805 0.01068970
2.79795517 2.73351611 -2.95899412
-0.00007181 0.00011279 0.00021191
-0.01968153 0.00696141 0.00442099
23.37567349 -7.74701382 -9.57610800
0.00004506 -0.00023936 -0.00016652
0.02961177 0.00481520 0.01474678
1.37684150 -8.01467701 6.66836700
0.00009548 0.00010970 0.00008531
0.01376908 0.00725043 -0.02106520
-3.82848919 -1.28104227 -18.23731547
0.00024825 0.00052619 0.00015825
0.00224660 -0.00842743 0.01682890
3.33616573 4.25536835 -10.73444612
-0.00037389 0.00007404 0.00026056
0.00396966 -0.01312741 0.01120518
-2.68182288 16.90382757 13.83592379
-0.00000599 -0.00019963 0.00015034
0.01130754 0.00417296 0.04662731
-2.22279785 2.06384560 -7.05251440
-0.00019144 -0.00003526 0.00000884
0.00240665 -0.03166307 -0.00724248
-6.63075814 -2.03054197 -4.37596782
0.00002826 -0.00005962 -0.00011050
-0.04055710 -0.01142633 -0.02303377
0.35048883 28.17714251 7.26571761
0.00004144 0.00014173 0.00014502
-0.02336329 0.02035487 -0.04997259
10.02660810 -9.11076247 -1.45217441
-0.00003307 -0.00001680 -0.00007103
-0.00244425 0.00235429 -0.01796513
-6.81373852 0.33567706 7.59290940
-0.00004167 0.00014409 0.00002079
-0.03101175 0.01613612 -0.03477817
18.56778986 11.75137177 6.29874158
0.00018392 -0.00014541 0.00020708
0.05836135 0.00744523 0.00248962
-3.25630107 -4.00083215 -23.30172940
0.00006232 -0.00004520 -0.00006565
-0.01115003 0.04738320 0.04744913
-13.65250074 8.25561008 8.23467032
0.00001682 0.00010725 0.00033273
0.00772401 0.01216160 0.00146448
-11.96330884 7.55239479 -2.57538569
-0.00039495 -0.00019937 -0.00013543
0.00723680 0.02843082 -0.01773210
-3.20281922 -16.23069745 20.40878809
-0.00043298 -0.00017588 0.00011265
0.03754827 0.04387464 0.01893186
-3.15729141 6.91933190 -7.98818531
-0.00035856 -0.00013889 0.00009683
-0.01108848 0.01718857 0.00755343
-20.68686409 29.51721202 1.39860246
0.00014340 0.00005744 -0.00018239
0.01037665 0.00219015 -0.00004028
9.77997374 3.27592520 7.53263785
0.00009338 -0.00036236 -0.00009367
-0.01849153 -0.00173247 -0.03841307
6.36786200 14.40184768 -13.27363394
0.00010592 0.00055339 0.00038823
-0.00748369 0.01780507 0.02002271
14.15779037 3.81576929 -2.87972486
-0.00009444 -0.00018586 0.00025418
-0.01708326 0.03551380 0.00998415
-6.32999861 11.09589631 -0.51228806
0.00019812 -0.00010570 0.00017812
0.00117966 -0.02742375 0.02776814
6.06917494 13.11057597 3.17983747
0.00008596 0.00038101 -0.00003366
-0.02845059 0.02083959 0.00426226
21.89418409 -12.30084110 -11.53815372
0.00010481 0.00017085 -0.00034529
-0.03225853 -0.02753296 -0.00437042
16.67833165 -6.33504721 3.35347596
-0.00001903 -0.00015101 0.00001818
-0.02198783 -0.02242545 0.01958979
15.25882797 7.25288979 9.95425256
0.00006338 -0.00004242 -0.00020471
-0.01282725 0.00150849 -0.01239529
3.09058075 -13.86390985 16.53922168
-0.00023117 -0.00011109 -0.00016403
0.00830049 0.00285786 -0.00847662
-3.56278405 -0.79502988 -10.73347590
0.00009808 -0.00036479 -0.00015333
0.01653612 0.01020535 -0.01888708
15.32157845 -7.95942384 -9.51860773
0.00027006 0.00010460 0.00002126
0.00123416 0.01417203 0.02512369
8.78488961 -3.31178624 6.33516672
0.00032973 -0.00040727 0.00008736
0.04328582 -0.00823121 -0.00299765
-21.38603727 1.61184436 24.55216797
-0.00024431 -0.00000536 -0.00008207
0.01650935 0.00962521 0.01488725
24.91585140 -1.70601415 -6.46487591
-0.00006579 -0.00003744 -0.00010378
0.00699056 -0.00853298 -0.00378986
11.62023577 -11.82784676 -10.00416851
0.00020959 -0.00005062 -0.00008658
0.01632661 0.01851897 0.02596392
-4.87447977 -10.24034750 16.65617407
0.00001705 -0.00008071 0.00002226
0.00151977 -0.00150166 -0.02126170
8.06762861 2.20746620 -30.43611665
0.00031795 0.00041203 -0.00047146
0.00484817 -0.01798344 -0.01331641
10.83000938 17.27280582 14.81797851
0.00006737 -0.00044810 -0.00011829
-0.00385413 0.00728255 0.00384735
30.67290380 7.27832623 -7.69318064
0.00011933 -0.00010192 0.00004790
-0.00024840 0.00698855 0.01504063
5.70683618 -30.11050329 -5.24597935
0.00003899 -0.00009668 0.00021932
0.01043534 0.01544801 -0.02605125
3.99456049 -30.71431051 -3.16271224
-0.00089585 -0.00051809 0.00018796
0.00283361 0.00040806 0.00931474
-12.31890414 -2.25719113 -13.14349218
-0.00020778 0.00094172 -0.00092968
-0.00624038 0.00321882 -0.00827445
-11.73681017 0.60246190 -12.71817144
0.00046207 -0.00059794 0.00062773
-0.00588744 0.00470006 -0.00483788
-37.88303642 3.67201771 2.04699749
0.00045855 0.00060238 0.00020145
-0.01933482 -0.02317941 0.02704117
-39.64533148 1.42373368 3.37141833
-0.00010728 0.00064728 0.00029306
0.00197822 0.01018020 -0.00874832
-9.93255190 -3.07354933 0.80136796
0.00084070 -0.00059254 -0.00023691
-0.00542515 -0.00479987 -0.00255259
-7.93913367 -3.80935146 2.98944712
-0.00148632 0.00128701 0.00093177
-0.03029438 0.01443271 -0.01077988
0.15527578 -0.21404772 7.30949521
0.00008731 -0.00048882 0.00025580
-0.02212428 -0.01003917 -0.05155630
2.01341837 1.03881897 8.84814097
-0.00004983 0.00034942 -0.00024508
-0.00654859 -0.00666611 0.01509552
-31.96130244 1.01005420 2.39052359
-0.00105852 0.00070634 0.00066117
0.00376289 0.00571506 -0.01103792
-34.11962004 2.78700286 2.29618456
-0.00039757 0.00090003 -0.00004976
-0.03196897 0.00390875 0.00160934
12.48855353 12.74300849 -15.26561277
-0.00026538 -0.00059300 -0.00082040
0.03632843 0.01405824 0.01226698
15.52037843 13.24335565 -15.13350262
-0.00081277 -0.00068213 0.00006728
0.00160933 -0.01128221 -0.00372899
-3.88240666 8.88172912 4.60265360
-0.00031021 -0.00045278 0.00062145
-0.00186490 0.00184203 0.00588506
-3.12928035 6.93643264 2.53560598
-0.00172369 -0.00030065 0.00057315
0.00473851 -0.00473390 -0.00319318
5.76178841 16.34290519 -10.36850310
0.00049327 -0.00086075 -0.00051480
0.00541619 -0.00206785 0.00877372
7.51654107 16.93860337 -8.05580898
0.00038584 -0.00009424 0.00038418
0.00149219 -0.00049040 -0.00349496
8.05295729 7.20957342 -22.56568870
-0.00016553 -0.00011949 0.00057811
-0.01946076 -0.00122690 0.01058506
8.15302438 7.43383937 -19.74618067
-0.00042324 0.00045334 -0.00021693
-0.00857269 0.00420982 -0.00008482
21.90205819 17.87570587 -2.13990404
-0.00036407 0.00030905 -0.00081798
-0.01054867 -0.00081658 0.00345379
24.52200631 18.30242217 -3.40888562
0.00028543 -0.00081636 0.00023739
-0.01457343 -0.01486157 0.01151326
1.13874656 11.15247429 -21.66771075
0.00079841 -0.00004585 0.00073127
-0.01027205 -0.02734486 -0.01583580
0.90896607 14.17909928 -22.23556900
-0.00071310 -0.00014042 0.00034946
0.00007313 -0.00700080 -0.00971498
9.90308672 -5.43771552 -1.53749306
0.00007980 0.00163274 -0.00026389
0.00453810 0.01749184 -0.00301891
8.81997025 -2.65134184 -1.76132566
0.00092150 0.00054312 -0.00185083
-0.01867665 0.00844074 -0.00611769
-18.96140475 -4.11292066 5.01839504
0.00041317 0.00037796 0.00039648
-0.00875447 -0.00179498 0.01096566
-17.34225176 -3.13434995 3.03923608
0.00086092 0.00030967 0.00032205
0.01079898 0.00180917 -0.02033484
-15.30696353 0.02156571 16.84322382
-0.00059390 0.00041170 -0.00000065
0.00306025 -0.00083012 -0.01020279
-13.96091491 1.32529033 18.95529457
0.00059211 -0.00074193 0.00005130
0.01261626 0.01356582 0.00370223
3.17784167 3.47412689 -4.55451189
0.00023556 -0.00017826 -0.00005794
-0.00477763 0.01827045 -0.00682737
3.77201544 1.22158010 -3.16437600
-0.00110821 -0.00071948 -0.00070085
0.01069088 -0.01264859 0.01069051
22.87894115 -9.37969122 -10.20740184
-0.00041371 -0.00044622 -0.00032092
-0.00262788 -0.01556746 -0.00830209
24.99995330 -7.93099063 -8.66615317
0.00038946 0.00016192 0.00065712
-0.02088245 0.00531328 -0.01253608
2.13630756 -8.36996623 4.98996334
0.00059916 -0.00117426 0.00053476
-0.00895528 0.00070310 0.02264587
2.78209724 -7.46841195 7.74486550
0.00027429 -0.00078419 0.00165287
-0.00711717 -0.00764183 -0.00499447
-4.17894679 -2.94689432 -17.49329650
0.00037037 -0.00020915 0.00049573
0.00644101 0.00688476 -0.01078341
-4.80741148 -0.25859067 -17.00058341
-0.00020538 -0.00048570 0.00055789
-0.00200649 -0.00312389 -0.01335054
2.26859485 4.79762143 -12.10673893
-0.00028038 -0.00010252 -0.00096361
-0.00516750 0.00707654 -0.00609393
2.17655722 3.49614051 -9.54133365
0.00050598 0.00024483 0.00108711
-0.00378078 0.00601047 -0.00190108
-1.06805383 15.95719796 13.49948005
0.00110879 0.00109547 -0.00058028
-0.00649322 -0.00128829 -0.01209469
-2.43069432 17.06124978 15.71675074
0.00034061 0.00011458 0.00053573
-0.01588590 0.00211554 -0.03253412
-1.70453683 0.92526545 -5.69540855
0.00018760 0.00090490 -0.00035734
-0.00886113 0.00977201 -0.00758448
-2.95756930 0.85406593 -8.44758775
0.00074095 0.00044544 0.00004298
0.00800365 0.02125840 0.02595451
-8.11705906 -2.91293384 -5.21613356
-0.00090880 -0.00021841 -0.00007419
0.03099824 0.00964890 0.02199736
-7.38718845 -0.37811553 -4.14244364
-0.00062773 0.00012849 0.00023171
0.00719056 0.00521803 0.00420774
1.50555211 28.60541798 5.78329896
0.00013809 -0.00045567 -0.00002615
-0.02909616 -0.01095030 0.02978854
-1.47743440 28.45336125 6.45420305
-0.00017048 0.00040388 0.00088822
0.04905973 -0.01142851 0.01333460
8.28546470 -9.16485634 -2.09303553
0.00057687 0.00027928 -0.00039909
0.00413027 0.00222458 -0.00229783
9.93738824 -9.96490859 0.13221938
0.00031333 -0.00068884 0.00023508
0.00522226 -0.00238316 0.01866129
-5.58028405 -0.03785046 8.82255507
-0.00079409 0.00083966 0.00049703
0.01222036 -0.01034946 0.03714851
-8.44675674 -0.41897696 8.02606739
-0.00020530 0.00059735 0.00036203
0.01611370 0.00050252 0.00587988
19.99932859 11.37453423 7.53459540
-0.00028991 -0.00017371 0.00005725
-0.03257682 0.00183286 -0.00761021
19.60836224 12.91841113 5.26085125
0.00028093 0.00075720 0.00053611
-0.01838805 -0.00805598 0.00755960
-3.38423975 -2.73368360 -21.81108282
0.00064541 0.00150435 -0.00063779
0.00941006 -0.03268157 -0.03027197
-4.62744335 -3.24581153 -24.30328641
-0.00088325 0.00066721 0.00068353
-0.00328164 -0.00929031 -0.01293535
-12.48874191 9.21425689 9.32278055
0.00023463 0.00026643 0.00009266
-0.00778749 -0.00942036 0.00823347
-13.11204870 8.91358162 6.60689275
-0.00004604 -0.00051731 -0.00013124
-0.00256545 -0.00130587 -0.00553882
-12.60843198 7.40849293 -4.33403917
0.00012819 0.00016276 -0.00084670
0.00153076 -0.00125804 0.00805444
-11.41921664 9.37324403 -2.46577591
-0.00024717 -0.00103582 -0.00041194
-0.00947234 -0.02484151 0.00039215
-4.65578467 -17.16951420 20.27372021
-0.00027868 -0.00039511 -0.00023921
-0.05133648 -0.03253430 -0.01155457
-1.86141437 -17.28397090 19.88464125
0.00035356 0.00031126 -0.00071540
0.01310192 -0.01111984 -0.00933469
-3.52300521 5.54364245 -6.83289142
-0.00073009 -0.00017185 0.00013201
0.00736908 -0.00524938 -0.00786364
-3.52184465 8.42906264 -6.97565774
-0.00033895 0.00121999 0.00102927
-0.00100852 -0.00184381 -0.00314842
-21.02024997 28.41430929 -0.01177914
-0.00051241 -0.00015306 0.00065815
-0.00210479 -0.00029088 0.00147980
-18.88177562 29.20471802 1.65800522
-0.00119962 0.00066201 0.00025409
-0.00265450 0.00669266 -0.00303066
8.90855548 2.51509122 5.95566885
0.00024221 -0.00053658 0.00007725
0.00731346 0.02391477 0.04267402
9.01238368 4.99804591 7.85540619
0.00016009 0.00076889 0.00043746
0.00758823 -0.01903751 -0.00262352
6.97543130 14.63503906 -14.92876694
-0.00013783 0.00063792 0.00132231
0.01323342 0.01112424 -0.02680739
6.06430919 12.65476832 -13.22597324
0.00071819 -0.00117259 -0.00013586
-0.00406715 -0.02985371 0.00567355
13.22332186 5.34130757 -3.50415769
-0.00019150 0.00031122 0.00019812
0.01505772 -0.02351934 -0.00114477
13.61414390 4.06525673 -1.11397586
-0.00003167 -0.00087027 -0.00096126
0.00226202 -0.01880496 -0.00728613
-5.51954623 9.55690252 0.26321247
0.00027168 0.00015044 -0.00044792
-0.01598708 0.02918480 -0.01860537
-8.00066917 11.16674024 0.34149091
-0.00073222 -0.00182074 -0.00091753
0.01711433 -0.00243730 -0.00828076
4.56695202 12.72153658 2.16634895
0.00057123 -0.00012182 0.00018426
0.00128408 0.00596186 0.00407598
7.24642093 11.90569780 2.66039118
0.00093974 -0.00042793 -0.00115622
0.02675999 -0.02313035 -0.00247043
20.37308684 -12.94139198 -10.56525217
0.00082894 0.00029761 0.00028807
0.03207459 0.00763156 -0.01500763
22.15228940 -13.68458544 -12.85758327
-0.00058246 0.00000578 0.00002583
0.00370502 0.01890122 0.02111380
17.90273402 -6.28171453 2.06579378
0.00115903 0.00115350 0.00037648
0.01554540 0.00253937 -0.02843247
15.99798765 -8.07439857 3.24247426
0.00057963 0.00032030 0.00042776
0.00461781 0.02299520 0.00033185
14.02648279 8.39504134 10.76083368
0.00065037 -0.00094830 0.00011961
0.00800931 -0.00446332 -0.00297567
16.43323511 6.78031792 11.24946865
0.00047395 -0.00056479 -0.00077368
0.00544598 -0.00108926 0.01002958
2.82660102 -13.30541320 14.82391231
-0.00071071 0.00136338 0.00066042
-0.01009552 -0.00735214 -0.00430919
3.77520797 -12.35317352 17.28255785
-0.00056246 0.00105048 -0.00089822
0.00347029 0.00319335 0.00950751
-3.33251243 -2.53957735 -10.22154610
-0.00031861 -0.00095508 0.00003484
-0.00188595 -0.01056528 0.01047486
-1.88299324 -0.39401154 -11.55670755
-0.00072360 -0.00030250 0.00029768
-0.01646525 -0.00305099 0.00517975
14.82745117 -7.63355540 -11.26096442
-0.00038474 0.00043671 -0.00113596
0.00547841 -0.00186287 -0.00580959
16.78626425 -6.90403764 -8.86871214
0.00017526 -0.00032042 0.00055962
-0.01337402 -0.01014787 -0.02011789
7.05437872 -2.81187799 6.15068370
0.00116303 -0.00008318 -0.00109231
-0.00845343 0.00619768 -0.01689677
9.93979886 -2.97265332 4.86044114
0.00024939 -0.00092305 0.00006056
-0.02265152 -0.00623032 0.01615572
-21.75701387 1.50854898 22.81683493
0.00058496 -0.00095427 -0.00049130
0.00094994 0.00133608 -0.02614870
-22.63367935 0.57350458 25.30459856
-0.00050702 0.00015719 -0.00015024
-0.01730997 -0.01341765 0.00923693
25.51625442 -3.00644216 -7.67322034
0.00040845 0.00011976 -0.00047942
-0.00419408 0.01357996 0.00626912
23.66524609 -0.60965814 -7.21049285
-0.00005348 0.00051790 0.00071864
0.00089284 -0.00695635 -0.00496932
11.13839051 -12.78402522 -8.47134749
0.00094765 -0.00063536 0.00022945
-0.00376031 0.00746637 -0.02005261
12.59907585 -10.30948114 -9.41322351
-0.00008955 0.00025090 0.00045998
-0.01084407 -0.02487682 -0.01422920
-5.37992389 -10.46366842 18.39962148
0.00080768 0.00006689 -0.00058290
-0.01290832 0.00199147 -0.00106643
-6.23494043 -9.72642855 15.46181478
-0.00024963 -0.00008450 -0.00115564
0.01602068 -0.00892647 0.02427905
8.70023066 0.96570188 -31.69187839
0.00043465 0.00065069 -0.00030456
0.00786738 0.00486147 0.00937105
6.41933367 2.45980183 -31.12979587
0.00022448 0.00004709 -0.00056203
-0.01646615 0.00790323 -0.00550209
11.36118528 18.41378638 13.52460558
0.00068124 -0.00044654 -0.00082702
-0.00437813 0.01727644 -0.01285448
12.07688138 15.99683694 14.58666018
-0.00036794 -0.00081078 0.00015404
0.01105111 -0.02067874 0.00050123
30.53516086 5.50292060 -8.19105637
0.00061015 -0.00021176 0.00042968
-0.00036511 0.00028489 0.00244490
29.01378383 7.91003414 -7.21161993
-0.00162580 0.00027445 0.00025250
0.00171952 -0.01014928 -0.00477991
-8.40560764 4.92215588 5.65234373
-0.00007667 -0.00017441 -0.00006147
0.00659155 0.00518985 0.00911514
-10.76411205 10.13672135 3.46320242
0.00004679 0.00003852 -0.00014042
0.00125634 -0.00385690 0.00202418
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08268834
0.32689642
435.57309686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3248143673 (a.u.)
total exchange computation time: 2.7825198174 s
-154.1598009470
-931.40968007
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.509 s
total exchange = -52.3248417952 (a.u.)
total exchange computation time: 2.7847459316 s
-154.1602928644
Anderson extrapolation: theta=1.3560342111 (1.3560342111)
-931.40989332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3247978249 (a.u.)
total exchange computation time: 2.7818601131 s
-154.1615848671
Anderson extrapolation: theta=0.0529711867 (0.0529711867)
-931.41002088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3247278446 (a.u.)
total exchange computation time: 2.7818119526 s
-154.1622175702
Anderson extrapolation: theta=1.9354291945 (1.9354291945)
-931.41002563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3245671913 (a.u.)
total exchange computation time: 2.7836639881 s
-154.1636114357
Anderson extrapolation: theta=0.2199393898 (0.2199393898)
-931.41003068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3245219111 (a.u.)
total exchange computation time: 2.7825651169 s
-154.1639636184
Anderson extrapolation: theta=1.8446772950 (1.8446772950)
-931.41003166
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3244513249 (a.u.)
total exchange computation time: 2.7819321156 s
-154.1644772236
Anderson extrapolation: theta=0.2876575429 (0.2876575429)
-931.41003290
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3244448864 (a.u.)
total exchange computation time: 2.7817268372 s
-154.1644889290
Anderson extrapolation: theta=1.3230055975 (1.3230055975)
-931.41003324
-211.705419 122.297889 -36.068822
566.205229 1067.025854 -419.014140
354.499809 1189.323743 -455.082961
1321.840226
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412439156
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3244468203 (a.u.)
total exchange computation time: 2.7821629047 s
678.01748269
-1082.21561554
89.93528895
-390.12882329
-174.69391954
77.47138615
551.60419304
0.00000000
-931.41003355
5.64416320 -31.18441209 -3.81730826
-0.00005374 -0.00016220 0.00016952
-0.02774160 -0.01073853 0.01280632
-11.77195457 -1.02232539 -11.86373262
-0.00023901 0.00011242 0.00005924
0.01101276 -0.00746854 0.02073401
-38.03683963 2.32172353 3.41293320
0.00016926 0.00000517 -0.00019808
0.01966688 0.01996613 -0.01946169
-9.51529194 -2.78688214 2.57245194
-0.00052412 -0.00008338 -0.00024029
0.02227365 0.00071579 0.01894920
0.63306519 -0.19105483 8.98044715
0.00026400 -0.00017450 0.00000541
0.03574636 0.01609045 0.03348164
-32.39991361 2.75527127 1.85708974
0.00008241 -0.00004155 -0.00026121
0.02479392 -0.01367052 0.01107381
13.93395230 13.56269337 -14.32303747
0.00035839 0.00038621 -0.00014552
-0.05033744 -0.00072734 -0.00505439
-3.93323742 7.07922883 4.16127955
-0.00025756 0.00011126 -0.00048811
-0.00887273 -0.00453100 0.01468077
5.74432236 16.70038872 -8.53938765
0.00010651 0.00004951 0.00031483
-0.00145623 -0.00223669 -0.00866823
6.87071303 7.10383641 -21.03909184
-0.00018724 0.00037789 -0.00004015
0.02538082 -0.00723291 -0.01018191
23.54389651 17.09305506 -2.33570944
-0.00038141 0.00006033 0.00032054
0.02879797 0.00869832 -0.01485883
1.34676443 12.82312922 -21.09044012
0.00006735 0.00021868 0.00021975
0.01040606 0.03024195 0.02583432
10.32532559 -3.62434113 -1.76646015
0.00016141 -0.00006235 0.00025427
0.02158034 -0.02015173 0.00458591
-17.95595526 -2.64409555 4.64897946
0.00021802 -0.00012697 0.00017586
-0.01236502 0.00116379 0.00736691
-15.24478753 0.11890798 18.64778068
-0.00018554 0.00010476 -0.00017731
-0.00528390 -0.01905872 0.01198977
2.79680218 2.73523485 -2.95579836
-0.00008149 0.00011598 0.00021361
-0.01799964 0.00543759 0.00218266
23.37646363 -7.75058567 -9.57854893
0.00006083 -0.00023737 -0.00015869
0.03172186 0.00292162 0.01569637
1.37832680 -8.01300352 6.66956535
0.00010342 0.00011366 0.00007542
0.01712030 0.00813718 -0.01739341
-3.82475674 -1.27318191 -18.23487674
0.00024914 0.00052057 0.00016745
0.00121800 -0.01344575 0.01891204
3.33057262 4.25642834 -10.73049452
-0.00037225 0.00006790 0.00026502
0.00243135 -0.01077054 0.00615155
-2.68186914 16.90084918 13.83835874
0.00000042 -0.00019749 0.00017462
0.01363428 0.00414948 0.04781183
-2.22566019 2.06319456 -7.05240979
-0.00019028 -0.00005017 0.00000445
0.00209599 -0.02633375 -0.00982382
-6.63049071 -2.03148042 -4.37771416
0.00000623 -0.00006504 -0.00012254
-0.04511614 -0.00964561 -0.02379126
0.35102032 28.17934693 7.26770011
0.00002948 0.00015209 0.00011955
-0.02313811 0.01995077 -0.04908060
10.02610258 -9.11100535 -1.45330922
-0.00003347 -0.00001609 -0.00007896
0.00090063 0.00037821 -0.01284421
-6.81448319 0.33790067 7.59308708
-0.00005807 0.00015239 0.00000261
-0.03277102 0.01612676 -0.03591254
18.57077378 11.74921938 6.30185743
0.00021371 -0.00014106 0.00020768
0.05748723 0.00944334 -0.00016517
-3.25540933 -4.00132736 -23.30253109
0.00005575 -0.00001976 -0.00004144
-0.01437020 0.05154781 0.04668641
-13.65221863 8.25726570 8.23966687
0.00002091 0.00011354 0.00033320
0.00816305 0.01231486 0.00037102
-11.96920525 7.54951389 -2.57748552
-0.00039161 -0.00018589 -0.00014537
0.00576966 0.02401151 -0.02090970
-3.20916904 -16.23316648 20.41055081
-0.00041300 -0.00015421 0.00012203
0.04014202 0.04041361 0.01757542
-3.16271263 6.91731492 -7.98670379
-0.00036477 -0.00012801 0.00010216
-0.01302776 0.02508467 0.01320775
-20.68467302 29.51808203 1.39586643
0.00014642 0.00005954 -0.00018205
0.00134474 0.00598737 0.00136715
9.78130310 3.27048314 7.53108459
0.00008361 -0.00036190 -0.00011285
-0.01948128 0.00350848 -0.03614339
6.36942187 14.41021717 -13.26773321
0.00010067 0.00055842 0.00040062
-0.01293079 0.00174469 0.02813095
14.15630785 3.81311845 -2.87587367
-0.00010290 -0.00016738 0.00025693
-0.01579787 0.03631188 0.00071787
-6.32702223 11.09420498 -0.50950920
0.00019797 -0.00011932 0.00019216
-0.00177310 -0.02553358 0.02683383
6.07035456 13.11637149 3.17934906
0.00007436 0.00038925 -0.00003213
-0.01664644 0.01120051 0.00169159
21.89563176 -12.29838458 -11.54334987
0.00008849 0.00015700 -0.00034740
-0.03119653 -0.02632309 -0.00385973
16.67796137 -6.33739886 3.35382425
-0.00002884 -0.00016111 0.00002744
-0.01617485 -0.01684323 0.01640066
15.25972924 7.25225928 9.95113408
0.00005773 -0.00004255 -0.00021164
-0.00914079 -0.00200159 -0.01454328
3.08714520 -13.86556520 16.53672854
-0.00022629 -0.00010838 -0.00016770
0.01067304 0.00768751 -0.00580668
-3.56124904 -0.80046234 -10.73584864
0.00010553 -0.00036070 -0.00016222
0.01243778 0.00571373 -0.01571169
15.32563409 -7.95780021 -9.51819197
0.00026978 0.00011199 0.00003209
-0.00230325 0.01457508 0.01699143
8.79000249 -3.31792707 6.33646548
0.00035281 -0.00041175 0.00008595
0.04647644 -0.00918617 -0.00247069
-21.38963817 1.61180116 24.55099427
-0.00023613 -0.00000050 -0.00007511
0.01527749 0.00925916 0.01218972
24.91489158 -1.70660862 -6.46644718
-0.00006199 -0.00004204 -0.00010577
0.00776450 -0.00936056 -0.00394705
11.62344266 -11.82853467 -10.00536712
0.00021799 -0.00004117 -0.00007258
0.01633539 0.01823813 0.02848181
-4.87421817 -10.24156396 16.65642596
0.00001759 -0.00008106 0.00000886
0.00056621 0.00015971 -0.03084929
8.07241657 2.21357735 -30.44323989
0.00032012 0.00040305 -0.00047812
0.00358166 -0.01694068 -0.01256853
10.83100501 17.26611234 14.81621900
0.00006575 -0.00044331 -0.00011734
-0.00243759 0.01137703 -0.00014013
30.67469275 7.27682439 -7.69240412
0.00011657 -0.00009707 0.00005648
-0.01047161 0.01186436 0.01832614
5.70774081 -30.11148012 -5.24348777
0.00008087 -0.00003381 0.00011403
0.01006350 0.01532716 -0.02548907
3.98120952 -30.72206942 -3.15960736
-0.00087501 -0.00051820 0.00022212
0.00737002 -0.00046208 0.00740663
-12.32221206 -2.24296672 -13.15769094
-0.00023313 0.00095389 -0.00096160
-0.00616825 0.00273882 -0.00735114
-11.73005954 0.59363683 -12.70890374
0.00043865 -0.00056651 0.00060298
-0.00557571 0.01068445 -0.00727524
-37.87675059 3.68034319 2.05084781
0.00037837 0.00050666 0.00031205
-0.01991776 -0.02367648 0.02710165
-39.64688013 1.43375488 3.37554619
-0.00010064 0.00068816 0.00025678
0.00127286 0.00982904 -0.00901159
-9.92010762 -3.08258446 0.79773612
0.00081735 -0.00061184 -0.00024945
-0.00600816 -0.00464769 -0.00358480
-7.96235681 -3.78960404 3.00309339
-0.00159797 0.00133808 0.00089010
-0.02435781 0.01056816 -0.00962009
0.15590743 -0.22168768 7.31175232
-0.00000343 -0.00053018 0.00004349
-0.02229000 -0.01020652 -0.05236945
2.01247031 1.04385593 8.84492740
-0.00007789 0.00032052 -0.00018355
-0.00718973 -0.00747754 0.01502361
-31.97706495 1.02082449 2.40010289
-0.00104029 0.00072127 0.00061782
0.00516123 0.00159242 -0.01018108
-34.12656321 2.80062313 2.29548751
-0.00051737 0.00091635 -0.00004602
-0.02667424 0.00407728 0.00022046
12.48568612 12.73454428 -15.27754293
-0.00010872 -0.00052955 -0.00076300
0.04035468 0.01700166 0.01583309
15.50823622 13.23277794 -15.13260769
-0.00079147 -0.00073020 0.00004598
0.00881627 -0.01224596 -0.00669511
-3.88711702 8.87499391 4.61215571
-0.00031700 -0.00044142 0.00064397
-0.00145662 0.00371607 0.00513919
-3.15499045 6.93177777 2.54410542
-0.00169318 -0.00032043 0.00053790
0.01019634 -0.00494852 -0.01406334
5.76935350 16.32993052 -10.37595621
0.00051517 -0.00086641 -0.00046664
0.00530048 -0.00070275 0.01479819
7.52237437 16.93717472 -8.05015336
0.00038874 -0.00009658 0.00036903
-0.00007214 -0.00065382 -0.00392072
8.04987805 7.20774345 -22.55669269
-0.00024298 -0.00012403 0.00061637
-0.01845514 -0.00099563 0.00814573
8.14641315 7.44076846 -19.74943728
-0.00045583 0.00047123 -0.00021389
-0.00738476 0.00454632 0.00157658
21.89627395 17.88031660 -2.15206792
-0.00040719 0.00030578 -0.00080364
-0.01056276 -0.00078295 0.00356705
24.52584126 18.28972140 -3.40497193
0.00022681 -0.00087514 0.00028325
-0.01412393 -0.01391132 0.01093545
1.15040794 11.15094862 -21.65722696
0.00075608 -0.00015654 0.00066659
-0.01044894 -0.02683947 -0.01582584
0.89827179 14.17677853 -22.23062479
-0.00071324 -0.00016721 0.00030788
-0.00014066 -0.00611401 -0.01064075
9.90442275 -5.41268847 -1.54154392
0.00009275 0.00168256 -0.00027361
0.00180118 0.00689548 -0.00173800
8.83322045 -2.64293631 -1.78927554
0.00084121 0.00057998 -0.00187619
-0.02062709 0.00960168 -0.00629581
-18.95547545 -4.10730633 5.02467823
0.00037398 0.00036429 0.00044154
-0.01042783 -0.00489609 0.01109054
-17.32900703 -3.12964947 3.04344371
0.00090365 0.00031614 0.00023972
0.01011672 0.00135680 -0.01996486
-15.31577819 0.02771584 16.84290143
-0.00058114 0.00040832 -0.00004492
0.00318576 -0.00082455 -0.01146652
-13.95164659 1.31457714 18.95617745
0.00064269 -0.00068712 0.00006589
0.01213963 0.01326106 0.00344361
3.18122868 3.47201290 -4.55559016
0.00021537 -0.00010422 -0.00008261
-0.00510634 0.01797151 -0.00524947
3.75571982 1.21040030 -3.17456111
-0.00106728 -0.00076748 -0.00065578
0.00934681 -0.01084988 0.01136917
22.87265495 -9.38686153 -10.21246998
-0.00042172 -0.00050453 -0.00035216
-0.00129424 -0.01297710 -0.00699308
25.00515532 -7.92839900 -8.65668049
0.00029747 0.00018325 0.00060128
-0.02414730 0.00512918 -0.01479631
2.14502051 -8.38755862 4.99867866
0.00056331 -0.00117000 0.00062752
-0.00859447 0.00138464 0.02276312
2.78599345 -7.48040903 7.76950557
0.00023764 -0.00081805 0.00162446
-0.01082359 -0.00892962 -0.00891257
-4.17319380 -2.94982057 -17.48619104
0.00039890 -0.00017290 0.00044682
0.00752470 0.01085756 -0.01315525
-4.81055362 -0.26597192 -16.99262413
-0.00021367 -0.00049629 0.00050370
-0.00205358 -0.00205808 -0.01317578
2.26423073 4.79630054 -12.12137986
-0.00029595 -0.00007852 -0.00097672
-0.00245339 0.00467021 -0.00032278
2.18403106 3.49999718 -9.52508523
0.00048800 0.00026964 0.00107771
-0.00502113 0.00613391 -0.00270201
-1.05162093 15.97359050 13.49040519
0.00107789 0.00109090 -0.00062783
-0.00863458 -0.00094768 -0.01117766
-2.42607203 17.06303330 15.72378972
0.00027543 0.00012209 0.00039819
-0.01601853 0.00156195 -0.03479245
-1.70199442 0.93913837 -5.70100104
0.00015409 0.00093723 -0.00038026
-0.00753886 0.00605321 -0.00363439
-2.94620979 0.86139889 -8.44614780
0.00077113 0.00052863 0.00014670
0.00676799 0.01946638 0.02481820
-8.12974119 -2.91591427 -5.21657231
-0.00077619 -0.00017628 0.00001851
0.03391568 0.01097299 0.02337969
-7.39638403 -0.37602834 -4.13883897
-0.00059500 0.00014355 0.00024794
0.00882968 0.00215364 0.00373475
1.50673187 28.59824737 5.78381959
0.00001848 -0.00049959 0.00009506
-0.02945228 -0.01055019 0.02954376
-1.47848823 28.45906925 6.46793495
0.00003023 0.00035655 0.00094085
0.04919025 -0.01173864 0.01242761
8.29424428 -9.16059894 -2.09909228
0.00058791 0.00028737 -0.00040883
0.00127393 0.00173343 -0.00247240
9.94224826 -9.97531415 0.13631746
0.00033415 -0.00069373 0.00030142
0.00496680 -0.00001064 0.01381251
-5.59182094 -0.02557265 8.83114887
-0.00074027 0.00079681 0.00065171
0.01412288 -0.01062578 0.03856929
-8.44934253 -0.41000135 8.03167806
-0.00013955 0.00059958 0.00038540
0.01607234 0.00059089 0.00555636
19.99398174 11.37198478 7.53522096
-0.00041896 -0.00016698 0.00002906
-0.03059636 0.00146188 -0.00619034
19.61201269 12.92952235 5.26912448
0.00020321 0.00072056 0.00056953
-0.01965522 -0.00988207 0.00880258
-3.37427024 -2.71211986 -21.82157724
0.00068466 0.00136653 -0.00076221
0.00980198 -0.03478097 -0.03063185
-4.64079261 -3.23608800 -24.29342987
-0.00089135 0.00062469 0.00063279
-0.00068412 -0.01152491 -0.01189898
-12.48546103 9.21796470 9.32442282
0.00020266 0.00022764 0.00012576
-0.00786625 -0.00957078 0.00796540
-13.11281787 8.90578198 6.60475442
-0.00005694 -0.00052307 -0.00015121
-0.00277207 -0.00151361 -0.00423786
-12.60646229 7.41089578 -4.34649285
0.00013500 0.00015686 -0.00080920
0.00180621 -0.00162838 0.01029983
-11.42321447 9.35694555 -2.47194302
-0.00028298 -0.00112781 -0.00040878
-0.00805628 -0.02018965 0.00115403
-4.66153803 -17.17643780 20.26977796
-0.00048493 -0.00052697 -0.00028663
-0.04962408 -0.03201360 -0.01165532
-1.85570949 -17.27964273 19.87362423
0.00039847 0.00027188 -0.00075050
0.00888080 -0.00815675 -0.00784871
-3.53373069 5.54090380 -6.83115224
-0.00069970 -0.00019117 0.00009923
0.00750592 -0.00420772 -0.00818453
-3.52695984 8.44730591 -6.96031514
-0.00033960 0.00119495 0.00100515
0.00069200 -0.01041311 -0.00866081
-21.02800060 28.41200450 -0.00186150
-0.00052137 -0.00015805 0.00065987
-0.00228011 -0.00215226 -0.00063888
-18.89985127 29.21485321 1.66172378
-0.00119196 0.00068520 0.00024347
0.00640663 0.00466169 -0.00217063
8.91241280 2.50777540 5.95813521
0.00027058 -0.00043852 0.00024991
0.00657396 0.02408667 0.04184767
9.01501759 5.00899592 7.86188763
0.00019459 0.00068132 0.00042388
0.00930087 -0.02382906 -0.00402174
6.97376937 14.64494878 -14.90975376
-0.00007782 0.00068667 0.00119696
0.01614109 0.01273898 -0.03455252
6.07495738 12.63626469 -13.22783735
0.00070675 -0.00126521 -0.00011319
-0.00153232 -0.01548450 0.00542510
13.22091082 5.34525514 -3.50122098
-0.00012779 0.00021126 0.00019513
0.01612808 -0.02541061 -0.00031652
13.61373813 4.05162647 -1.12861801
-0.00002728 -0.00094473 -0.00097389
-0.00011070 -0.01764469 0.00110513
-5.51596088 9.56005336 0.25592354
0.00020929 0.00026477 -0.00052122
-0.01455414 0.02678372 -0.01727795
-8.01112802 11.13935446 0.32747418
-0.00065869 -0.00182929 -0.00095220
0.01888016 -0.00174759 -0.00869192
4.57555988 12.71989195 2.16923779
0.00057132 -0.00009760 0.00019781
-0.00124424 0.00589565 0.00255672
7.26133709 11.89857005 2.64297223
0.00103029 -0.00050240 -0.00115752
0.01756175 -0.01332264 0.00183290
20.38650375 -12.93669402 -10.56139099
0.00095593 0.00032771 0.00022887
0.03008978 0.00710533 -0.01397217
22.14366596 -13.68391948 -12.85654884
-0.00056551 0.00008167 0.00010992
0.00459500 0.01824674 0.02005004
17.92059586 -6.26433429 2.07056970
0.00121296 0.00116166 0.00026932
0.01085350 0.00145870 -0.02402288
16.00682356 -8.06888946 3.24890081
0.00059646 0.00040522 0.00042655
0.00362388 0.01857670 -0.00092592
14.03648376 8.38068002 10.76253668
0.00067608 -0.00095953 0.00011184
0.00457812 -0.00103249 -0.00082663
16.44051123 6.77181265 11.23817072
0.00049589 -0.00056890 -0.00073279
0.00529201 -0.00092011 0.00998817
2.81563094 -13.28518773 14.83368650
-0.00075399 0.00133156 0.00063686
-0.01108894 -0.00822796 -0.00722357
3.76687749 -12.33731850 17.26937591
-0.00055041 0.00105552 -0.00085892
0.00242487 -0.00072306 0.00972739
-3.33734942 -2.55422730 -10.22070252
-0.00032647 -0.00098985 0.00007547
-0.00196116 -0.00645536 0.00941258
-1.89435171 -0.39864257 -11.55208364
-0.00078251 -0.00031407 0.00031474
-0.01237504 -0.00260966 0.00317237
14.82184797 -7.62706183 -11.27818185
-0.00035697 0.00042549 -0.00114270
0.00811279 -0.00362903 0.00250866
16.78848331 -6.90915494 -8.86093437
0.00012218 -0.00035995 0.00047677
-0.01260800 -0.00920008 -0.02043395
7.07156514 -2.81293577 6.13378124
0.00111906 -0.00005588 -0.00116049
-0.01307296 0.00716767 -0.01647506
9.94284558 -2.98668994 4.86184459
0.00015925 -0.00094817 0.00012513
-0.02147292 -0.00606772 0.01545393
-21.74821041 1.49427592 22.80866412
0.00059032 -0.00094879 -0.00059178
0.00167584 0.00134655 -0.02303424
-22.64181508 0.57545133 25.30262805
-0.00057668 0.00010354 -0.00011323
-0.01679044 -0.01284563 0.00887824
25.52225272 -3.00422956 -7.68021948
0.00038972 0.00017770 -0.00045228
-0.00497788 0.01478079 0.00701313
23.66447120 -0.60210282 -7.19986559
-0.00004958 0.00048871 0.00069696
0.00101571 -0.00733393 -0.00564059
11.15249006 -12.79332683 -8.46852015
0.00093243 -0.00060251 0.00014385
-0.00369172 0.00861399 -0.02185047
12.59740029 -10.30647999 -9.40675985
-0.00013444 0.00014753 0.00040031
-0.01112924 -0.02572340 -0.01497861
-5.36820424 -10.46260400 18.39084528
0.00075007 0.00007380 -0.00057558
-0.01529248 0.00139082 0.00465095
-6.23819400 -9.72796966 15.44522411
-0.00017732 -0.00012350 -0.00104902
0.01937738 -0.01016098 0.02791323
8.70699152 0.97561119 -31.69615968
0.00046763 0.00066840 -0.00026806
0.00827456 0.00380872 0.00849535
6.42219635 2.46075037 -31.13839495
0.00015867 0.00007947 -0.00058397
-0.01574897 0.00794704 -0.00523635
11.37126974 18.40761766 13.51180632
0.00066001 -0.00038395 -0.00087102
-0.00601599 0.01336091 -0.00868262
12.07170099 15.98404161 14.58898608
-0.00032229 -0.00089531 0.00015603
0.01129503 -0.02070157 0.00047318
30.54430189 5.49975289 -8.18453627
0.00060753 -0.00021145 0.00043936
-0.00091824 -0.00013284 0.00229649
28.98944957 7.91383993 -7.20797887
-0.00159677 0.00022388 0.00022698
0.01248761 -0.01460685 -0.00771229
-8.40673993 4.91955361 5.65144616
-0.00007429 -0.00017255 -0.00005822
0.00669512 0.00521216 0.00902130
-10.76340804 10.13729240 3.46109962
0.00004706 0.00003761 -0.00013992
0.00108284 -0.00396592 0.00230822
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08287161
0.32716194
435.92688246
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.510 s
total exchange = -52.3213022935 (a.u.)
total exchange computation time: 2.8408179283 s
-154.1482337487
-931.40865090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.510 s
total exchange = -52.3214307062 (a.u.)
total exchange computation time: 2.8377380371 s
-154.1480978622
Anderson extrapolation: theta=1.4078255618 (1.4078255618)
-931.40887648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3215402866 (a.u.)
total exchange computation time: 2.8381268978 s
-154.1484881347
Anderson extrapolation: theta=0.0731529584 (0.0731529584)
-931.40902348
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3214868202 (a.u.)
total exchange computation time: 2.8373730183 s
-154.1490553798
Anderson extrapolation: theta=2.4174416807 (2.0000000000)
-931.40903302
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3213553174 (a.u.)
total exchange computation time: 2.8388020992 s
-154.1503409684
Anderson extrapolation: theta=0.4708599858 (0.4708599858)
-931.40904666
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3212913364 (a.u.)
total exchange computation time: 2.8401498795 s
-154.1508986742
Anderson extrapolation: theta=0.9017883137 (0.9017883137)
-931.40905120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.510 s
total exchange = -52.3212475947 (a.u.)
total exchange computation time: 2.8383409977 s
-154.1512269598
Anderson extrapolation: theta=0.6092652935 (0.6092652935)
-931.40905432
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3212379062 (a.u.)
total exchange computation time: 2.8384871483 s
-154.1512433208
Anderson extrapolation: theta=0.6850359749 (0.6850359749)
-931.40905573
-211.732561 77.935577 -36.083686
566.207401 1067.028453 -419.000231
354.474840 1144.964030 -455.083917
1282.067242
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1419794484
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3212443319 (a.u.)
total exchange computation time: 2.8377559185 s
677.97468136
-1082.11566403
89.93411709
-390.19556906
-174.68537746
77.41676141
551.60419304
0.00000000
-931.40905644
5.64325007 -31.18688647 -3.81471612
-0.00006905 -0.00016730 0.00017614
-0.03179234 -0.00909141 0.01296236
-11.77549731 -1.02066791 -11.86276410
-0.00023346 0.00010707 0.00007022
0.01059245 -0.01334784 0.02197070
-38.03422480 2.32187805 3.40988696
0.00017962 0.00001552 -0.00020796
0.02059175 0.02027321 -0.01896086
-9.52306788 -2.78813011 2.56892062
-0.00051424 -0.00008191 -0.00023066
0.01615707 0.00500861 0.01850738
0.63716309 -0.19361032 8.98065742
0.00028235 -0.00016608 0.00002224
0.03561174 0.01665145 0.03198084
-32.39858187 2.75459530 1.85321436
0.00009318 -0.00004746 -0.00025529
0.01710423 -0.00931518 0.01192671
13.93913394 13.56848376 -14.32523978
0.00032998 0.00038552 -0.00014814
-0.06013562 -0.00196926 -0.00511206
-3.93713507 7.08088026 4.15401454
-0.00026366 0.00010865 -0.00047747
-0.01485294 -0.00563438 0.02669041
5.74591442 16.70112271 -8.53469866
0.00010615 0.00004806 0.00030910
0.00005742 -0.00341154 -0.01362496
6.86800228 7.10947692 -21.03973330
-0.00017484 0.00037402 -0.00004509
0.02286648 -0.00782879 -0.00906152
23.53828643 17.09399360 -2.33095871
-0.00036681 0.00006449 0.00031310
0.02796417 0.00747907 -0.01407276
1.34781476 12.82652604 -21.08704429
0.00007270 0.00023355 0.00023309
0.01040950 0.02760144 0.02604056
10.32782993 -3.62535414 -1.76262847
0.00017345 -0.00006977 0.00025626
0.02524350 -0.00867575 0.00316876
-17.95273270 -2.64599568 4.65164585
0.00021235 -0.00012556 0.00017931
-0.00966685 0.00433200 0.00603976
-15.24759096 0.12040594 18.64516725
-0.00018794 0.00009510 -0.00017086
-0.00407325 -0.01851530 0.01310601
2.79551032 2.73699554 -2.95258576
-0.00009027 0.00011831 0.00021407
-0.01611824 0.00360470 -0.00039269
23.37749850 -7.75413499 -9.58086876
0.00007746 -0.00023643 -0.00015052
0.03295029 0.00072795 0.01607989
1.37994417 -8.01126726 6.67062951
0.00011294 0.00011806 0.00006748
0.01990424 0.00896222 -0.01348138
-3.82101489 -1.26542528 -18.23229211
0.00024958 0.00051249 0.00017762
0.00049386 -0.01796162 0.02064609
3.32499827 4.25740524 -10.72649546
-0.00037137 0.00006294 0.00026690
0.00097322 -0.00850676 0.00113952
-2.68181021 16.89790280 13.84116254
0.00000801 -0.00019536 0.00019928
0.01588372 0.00413129 0.04806269
-2.22850636 2.06234037 -7.05238097
-0.00018929 -0.00006220 -0.00000125
0.00177890 -0.02042881 -0.01233578
-6.63057135 -2.03249327 -4.37964404
-0.00001795 -0.00006946 -0.00013485
-0.04888287 -0.00751920 -0.02407139
0.35137331 28.18170526 7.26930398
0.00001767 0.00016218 0.00009475
-0.02281122 0.01928288 -0.04735597
10.02560401 -9.11124531 -1.45454311
-0.00003211 -0.00001644 -0.00008419
0.00439071 -0.00172737 -0.00749496
-6.81548069 0.34024869 7.59298770
-0.00007501 0.00016065 -0.00001588
-0.03311097 0.01598665 -0.03597937
18.57420119 11.74713984 6.30497200
0.00024284 -0.00013574 0.00020690
0.05576949 0.01124516 -0.00288672
-3.25462846 -4.00142491 -23.30297260
0.00004756 0.00000769 -0.00001777
-0.01749070 0.05519765 0.04536482
-13.65187355 8.25901631 8.24466628
0.00002519 0.00011989 0.00033307
0.00849264 0.01238109 -0.00085862
-11.97505715 7.54681823 -2.57974666
-0.00038906 -0.00017486 -0.00015689
0.00415752 0.01887949 -0.02389750
-3.21520918 -16.23532372 20.41244912
-0.00039217 -0.00013470 0.00013064
0.04085115 0.03543507 0.01588387
-3.16823436 6.91549146 -7.98512038
-0.00037190 -0.00011333 0.00011022
-0.01470730 0.03201305 0.01813625
-20.68247157 29.51899823 1.39314094
0.00014465 0.00006361 -0.00018106
-0.00823686 0.00983279 0.00249412
9.78248217 3.26506815 7.52925249
0.00007350 -0.00035882 -0.00013071
-0.01983157 0.00848801 -0.03333030
6.37088199 14.41860013 -13.26161547
0.00009280 0.00055547 0.00041687
-0.01765951 -0.01318436 0.03508775
14.15470346 3.81074774 -2.87201695
-0.00011053 -0.00014861 0.00025487
-0.01390423 0.03668774 -0.00872234
-6.32405954 11.09231666 -0.50652332
0.00019625 -0.00013179 0.00020559
-0.00492820 -0.02294307 0.02539073
6.07140577 13.12225343 3.17887370
0.00006879 0.00039265 -0.00003189
-0.00500045 0.00201080 -0.00078624
21.89683876 -12.29613114 -11.54857580
0.00007285 0.00014392 -0.00034928
-0.02960074 -0.02452957 -0.00342511
16.67746631 -6.33988045 3.35429906
-0.00003543 -0.00016811 0.00003491
-0.00941898 -0.01038567 0.01266639
15.26056000 7.25161332 9.94790341
0.00005411 -0.00004456 -0.00021965
-0.00496408 -0.00580057 -0.01660614
3.08379198 -13.86716124 16.53419061
-0.00022021 -0.00010318 -0.00017009
0.01296055 0.01255217 -0.00346311
-3.55961807 -0.80585073 -10.73834259
0.00011072 -0.00035899 -0.00016943
0.00773322 0.00093095 -0.01232312
15.32967195 -7.95606414 -9.51764513
0.00026766 0.00011952 0.00003887
-0.00594827 0.01471370 0.00939745
8.79547393 -3.32413877 6.33774519
0.00037718 -0.00041680 0.00008497
0.04830753 -0.01046450 -0.00131680
-21.39312120 1.61182939 24.54991462
-0.00022875 0.00000403 -0.00006966
0.01342627 0.00835510 0.00900916
24.91399166 -1.70727530 -6.46804891
-0.00005784 -0.00004699 -0.00010778
0.00838188 -0.00988865 -0.00388726
11.62677556 -11.82908188 -10.00634600
0.00022635 -0.00003195 -0.00005746
0.01614972 0.01763789 0.03033358
-4.87395219 -10.24277920 16.65643986
0.00001780 -0.00008063 -0.00000928
0.00024935 0.00148906 -0.03969631
8.07723217 2.21955781 -30.45046010
0.00032148 0.00039466 -0.00048440
0.00172738 -0.01568491 -0.01187677
10.83198183 17.25950664 14.81445841
0.00006500 -0.00043653 -0.00011848
-0.00046366 0.01495393 -0.00430813
30.67640091 7.27541408 -7.69148621
0.00010890 -0.00008989 0.00006663
-0.01935141 0.01605272 0.02114460
5.70926220 -30.11151760 -5.24255831
0.00012098 0.00002718 0.00001293
0.00957405 0.01452636 -0.02400006
3.96831023 -30.72985665 -3.15604855
-0.00083614 -0.00052157 0.00024862
0.01165539 -0.00118644 0.00556558
-12.32589800 -2.22857446 -13.17234022
-0.00025799 0.00096433 -0.00098923
-0.00600215 0.00237267 -0.00617132
-11.72365063 0.58546657 -12.70008191
0.00041670 -0.00051093 0.00056858
-0.00517006 0.01652385 -0.00956661
-37.87168544 3.68721763 2.05635909
0.00029609 0.00041002 0.00042177
-0.02035613 -0.02362969 0.02660750
-39.64835077 1.44437847 3.37912176
-0.00009694 0.00072752 0.00021956
0.00054030 0.00943667 -0.00920697
-9.90803155 -3.09190443 0.79388459
0.00079178 -0.00063044 -0.00026558
-0.00650442 -0.00445909 -0.00431197
-7.98707275 -3.76920894 3.01615008
-0.00168328 0.00137224 0.00085413
-0.01740106 0.00614957 -0.00798654
0.15517301 -0.22995315 7.31079991
-0.00009313 -0.00057194 -0.00016683
-0.02161986 -0.01023616 -0.05058378
2.01108161 1.04843463 8.84263456
-0.00010801 0.00028883 -0.00012263
-0.00755531 -0.00803370 0.01479670
-31.99251116 1.03169238 2.40905822
-0.00101661 0.00071893 0.00057840
0.00643011 -0.00273790 -0.00911773
-34.13514114 2.81449327 2.29480397
-0.00061367 0.00093284 -0.00004831
-0.02046303 0.00399419 -0.00134009
12.48529189 12.72712204 -15.28850274
0.00006190 -0.00045519 -0.00069237
0.04316606 0.01939779 0.01873970
15.49663432 13.22144971 -15.13212308
-0.00074141 -0.00078228 0.00001301
0.01568689 -0.01324936 -0.00944406
-3.89191666 8.86848643 4.62197279
-0.00032209 -0.00042289 0.00066327
-0.00103283 0.00535348 0.00430924
-3.18007566 6.92681963 2.55174296
-0.00164046 -0.00034122 0.00045757
0.01561110 -0.00522706 -0.02525838
5.77724344 16.31691278 -10.38250240
0.00053648 -0.00086666 -0.00039540
0.00513371 0.00058263 0.02007393
7.52820326 16.93570601 -8.04473802
0.00038534 -0.00009955 0.00035220
-0.00158969 -0.00080120 -0.00431958
8.04566777 7.20585246 -22.54719746
-0.00031569 -0.00012761 0.00064402
-0.01713580 -0.00075816 0.00538505
8.13934934 7.44797617 -19.75259728
-0.00048336 0.00049056 -0.00020390
-0.00608713 0.00491623 0.00331266
21.88984235 17.88487936 -2.16401319
-0.00044952 0.00030224 -0.00078895
-0.01015530 -0.00095375 0.00362338
24.52881060 18.27616806 -3.40038803
0.00017059 -0.00092935 0.00032614
-0.01339751 -0.01262846 0.01006008
1.16142894 11.14777807 -21.64771308
0.00071338 -0.00026257 0.00060298
-0.01045500 -0.02506409 -0.01531186
0.88756889 14.17408307 -22.22633272
-0.00071415 -0.00019095 0.00026312
-0.00030507 -0.00550942 -0.01126595
9.90586916 -5.38723883 -1.54570128
0.00009371 0.00168626 -0.00027789
-0.00133141 -0.00508262 -0.00035674
8.84520651 -2.63394234 -1.81761126
0.00075525 0.00062018 -0.00190239
-0.02145106 0.01007418 -0.00653014
-18.95018523 -4.10199207 5.03164111
0.00032839 0.00033834 0.00048688
-0.01189236 -0.00780662 0.01110779
-17.31514229 -3.12486584 3.04642776
0.00094283 0.00032102 0.00016047
0.00906497 0.00103417 -0.01882796
-15.32439761 0.03381543 16.84187631
-0.00056781 0.00040506 -0.00009352
0.00333732 -0.00077420 -0.01232358
-13.94163427 1.30467667 18.95727137
0.00069009 -0.00063462 0.00007910
0.01106432 0.01243737 0.00302047
3.18430274 3.47100031 -4.55699016
0.00019377 -0.00003190 -0.00010013
-0.00546512 0.01743115 -0.00332769
3.73999703 1.19855556 -3.18404945
-0.00103231 -0.00080699 -0.00060799
0.00777027 -0.00848985 0.01202428
22.86628944 -9.39482715 -10.21796670
-0.00042402 -0.00055144 -0.00037778
0.00017146 -0.00998466 -0.00554511
25.00887745 -7.92549301 -8.64811462
0.00019382 0.00020363 0.00053712
-0.02659087 0.00484577 -0.01661237
2.15320673 -8.40506614 5.00878903
0.00052936 -0.00116325 0.00071965
-0.00802464 0.00191633 0.02233471
2.78922634 -7.49295337 7.79359942
0.00018670 -0.00085666 0.00158060
-0.01410798 -0.00997182 -0.01255672
-4.16697965 -2.95208140 -17.47989181
0.00043153 -0.00012160 0.00038883
0.00844622 0.01425649 -0.01523042
-4.81382161 -0.27347931 -16.98547235
-0.00022232 -0.00050242 0.00045054
-0.00217829 -0.00094219 -0.01284955
2.25971625 4.79526587 -12.13604056
-0.00030064 -0.00006414 -0.00096641
0.00015706 0.00236745 0.00536856
2.19119716 3.50422978 -9.50900241
0.00046499 0.00029489 0.00106512
-0.00623929 0.00622459 -0.00345905
-1.03571721 15.98992496 13.48064529
0.00103826 0.00108764 -0.00067146
-0.01076414 -0.00064706 -0.01018290
-2.42243145 17.06491254 15.72869640
0.00021004 0.00012750 0.00025339
-0.01598914 0.00108417 -0.03608562
-1.69991404 0.95338227 -5.70681628
0.00012643 0.00095384 -0.00038625
-0.00600449 0.00208005 0.00070115
-2.93443550 0.86992488 -8.44318684
0.00079588 0.00060378 0.00024481
0.00534693 0.01731864 0.02320994
-8.14034477 -2.91822221 -5.21557821
-0.00063337 -0.00012973 0.00011582
0.03599413 0.01181383 0.02425314
-7.40503847 -0.37380917 -4.13500542
-0.00055568 0.00014632 0.00026219
0.01042007 -0.00079662 0.00324000
1.50610661 28.59043017 5.78615085
-0.00010124 -0.00054147 0.00021377
-0.02915508 -0.00994900 0.02856410
-1.47652737 28.46405784 6.48242849
0.00022996 0.00030816 0.00098938
0.04857601 -0.01194964 0.01132940
8.30310194 -9.15623530 -2.10530056
0.00058707 0.00029342 -0.00041937
-0.00168514 0.00122964 -0.00268522
9.94741268 -9.98572036 0.14126206
0.00035384 -0.00068860 0.00034748
0.00467486 0.00251925 0.00873212
-5.60249230 -0.01394605 8.84210644
-0.00068090 0.00075360 0.00080978
0.01494389 -0.01052962 0.03880781
-8.45094331 -0.40098953 8.03762925
-0.00007481 0.00060187 0.00040749
0.01562031 0.00052918 0.00526064
19.98675976 11.36952493 7.53546713
-0.00053876 -0.00016202 0.00000757
-0.02804536 0.00096452 -0.00432749
19.61445855 12.94002792 5.27793719
0.00012114 0.00067725 0.00060728
-0.02051645 -0.01131848 0.00967758
-3.36370001 -2.69268771 -21.83394897
0.00072530 0.00122142 -0.00088678
0.01009116 -0.03625370 -0.03035084
-4.65418381 -3.22707080 -24.28430257
-0.00088887 0.00057313 0.00058629
0.00189875 -0.01371508 -0.01086614
-12.48266224 9.22108596 9.32655326
0.00017059 0.00018847 0.00015781
-0.00782807 -0.00960216 0.00772345
-13.11375694 8.89788958 6.60235637
-0.00006865 -0.00052960 -0.00016563
-0.00295962 -0.00168484 -0.00282150
-12.60438190 7.41319884 -4.35831529
0.00014270 0.00014941 -0.00076313
0.00196381 -0.00202224 0.01225200
-11.42770605 9.33940972 -2.47803941
-0.00031245 -0.00119916 -0.00040244
-0.00637156 -0.01473801 0.00195052
-4.67033266 -17.18532339 20.26512140
-0.00067951 -0.00065364 -0.00033407
-0.04562354 -0.02999151 -0.01156919
-1.84946034 -17.27581446 19.86212620
0.00042551 0.00024485 -0.00077919
0.00435603 -0.00507315 -0.00619638
-3.54399616 5.53790726 -6.82991465
-0.00066877 -0.00020628 0.00006524
0.00763212 -0.00318655 -0.00845041
-3.53203263 8.46491101 -6.94550332
-0.00033392 0.00113702 0.00095994
0.00209045 -0.01794210 -0.01347091
-21.03589096 28.40956781 0.00801699
-0.00053102 -0.00017057 0.00065315
-0.00244639 -0.00397810 -0.00265127
-18.91753429 29.22527410 1.66530930
-0.00114614 0.00070000 0.00023668
0.01602029 0.00258355 -0.00115344
8.91667301 2.50193576 5.96316624
0.00029523 -0.00034063 0.00041757
0.00548943 0.02382697 0.04021933
9.01822152 5.01848553 7.86812259
0.00023539 0.00057567 0.00040494
0.01066848 -0.02788968 -0.00524883
6.97309665 14.65563923 -14.89285816
-0.00000649 0.00074210 0.00104202
0.01877565 0.01439323 -0.04129142
6.08551165 12.61681208 -13.22936899
0.00070513 -0.00130042 -0.00009153
0.00074146 -0.00175313 0.00517740
13.21948821 5.34764539 -3.49830368
-0.00006043 0.00010482 0.00019495
0.01684667 -0.02669043 0.00022729
13.61332557 4.03691483 -1.14319244
-0.00003237 -0.00101433 -0.00095388
-0.00238356 -0.01642723 0.00868658
-5.51326750 9.56484567 0.24757572
0.00015378 0.00036757 -0.00058830
-0.01261780 0.02353824 -0.01555416
-8.02042978 11.11186158 0.31292476
-0.00057856 -0.00183487 -0.00098826
0.02034067 -0.00098258 -0.00895584
4.58409149 12.71860865 2.17228331
0.00056091 -0.00007386 0.00020496
-0.00384866 0.00572340 0.00094443
7.27732954 11.89062581 2.62566561
0.00108365 -0.00053736 -0.00114119
0.00855938 -0.00379209 0.00616233
20.40176476 -12.93156060 -10.55838611
0.00107342 0.00035512 0.00017489
0.02742420 0.00630963 -0.01244921
22.13532414 -13.68213524 -12.85428562
-0.00054483 0.00015414 0.00018889
0.00552797 0.01722677 0.01860711
17.93912288 -6.24686464 2.07387335
0.00124628 0.00116508 0.00018136
0.00545472 0.00021402 -0.01903568
16.01588155 -8.06224186 3.25527062
0.00060868 0.00047051 0.00042021
0.00235652 0.01337963 -0.00217629
14.04676530 8.36625541 10.76418902
0.00068731 -0.00095642 0.00011324
0.00091909 0.00255714 0.00151071
16.44811167 6.76325100 11.22748494
0.00051660 -0.00057207 -0.00069274
0.00484683 -0.00063275 0.00961681
2.80398127 -13.26546651 14.84301798
-0.00080117 0.00129617 0.00060208
-0.01200511 -0.00909328 -0.00979704
3.75869561 -12.32150781 17.25679011
-0.00054251 0.00104450 -0.00081882
0.00144246 -0.00467227 0.00990510
-3.34230660 -2.56927287 -10.21928208
-0.00033457 -0.00100759 0.00011165
-0.00200480 -0.00222745 0.00829671
-1.90646861 -0.40343354 -11.54726532
-0.00082354 -0.00032354 0.00032306
-0.00770946 -0.00202621 0.00090189
14.81674197 -7.62079067 -11.29524553
-0.00031888 0.00040726 -0.00111695
0.01053402 -0.00529624 0.01009796
16.78992969 -6.91483607 -8.85440892
0.00007284 -0.00039517 0.00039308
-0.01154634 -0.00804201 -0.02053294
7.08795037 -2.81355428 6.11586909
0.00105740 -0.00002519 -0.00122677
-0.01710663 0.00785446 -0.01597029
9.94457630 -3.00109842 4.86419516
0.00007504 -0.00097256 0.00018567
-0.01974594 -0.00587051 0.01417795
-21.73930425 1.48008539 22.79908163
0.00059884 -0.00094308 -0.00067763
0.00249362 0.00144771 -0.01899052
-22.65097984 0.57661083 25.30120165
-0.00064308 0.00005318 -0.00007855
-0.01570926 -0.01180714 0.00809784
25.52794595 -3.00111111 -7.68678880
0.00036809 0.00023985 -0.00042265
-0.00561013 0.01564001 0.00749390
23.66375856 -0.59499697 -7.18958403
-0.00004516 0.00045801 0.00067260
0.00115228 -0.00769419 -0.00628307
11.16636335 -12.80210052 -8.46703193
0.00091721 -0.00056549 0.00005191
-0.00375953 0.00950584 -0.02315731
12.59504266 -10.30505534 -9.40121418
-0.00017975 0.00004196 0.00033813
-0.01105153 -0.02595320 -0.01545712
-5.35742181 -10.46145435 18.38235411
0.00068304 0.00007826 -0.00054510
-0.01751870 0.00079264 0.01027097
-6.24026001 -9.73013349 15.43034415
-0.00009287 -0.00016687 -0.00092899
0.02195899 -0.01107003 0.03084228
8.71425950 0.98575392 -31.69992033
0.00050230 0.00068153 -0.00023549
0.00869576 0.00261941 0.00744809
6.42409384 2.46218595 -31.14731494
0.00009694 0.00011179 -0.00060445
-0.01447105 0.00787195 -0.00479091
11.38098550 18.40226779 13.49847494
0.00063203 -0.00033766 -0.00089768
-0.00768029 0.00930038 -0.00436504
12.06721283 15.96997756 14.59134097
-0.00027676 -0.00097854 0.00015795
0.01098785 -0.02003987 0.00046966
30.55338665 5.49657703 -8.17787543
0.00060274 -0.00021269 0.00044847
-0.00142602 -0.00047459 0.00216183
28.96588064 7.91675051 -7.20481047
-0.00152665 0.00015642 0.00019047
0.02183643 -0.01841552 -0.01016064
-8.40783627 4.91697932 5.65059702
-0.00007187 -0.00017068 -0.00005501
0.00681893 0.00523695 0.00892937
-10.76270027 10.13784964 3.45900486
0.00004729 0.00003668 -0.00013935
0.00089096 -0.00406959 0.00258598
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08282334
0.32623310
434.68924855
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3198542277 (a.u.)
total exchange computation time: 2.8871858120 s
-154.1418298222
-931.40703416
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3199842588 (a.u.)
total exchange computation time: 2.8860659599 s
-154.1413726271
Anderson extrapolation: theta=1.4150214422 (1.4150214422)
-931.40726333
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3200749078 (a.u.)
total exchange computation time: 2.8874309063 s
-154.1413317744
Anderson extrapolation: theta=0.0771163826 (0.0771163826)
-931.40741466
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3200038188 (a.u.)
total exchange computation time: 2.8861660957 s
-154.1418864193
Anderson extrapolation: theta=2.4605865092 (2.0000000000)
-931.40742511
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3198330119 (a.u.)
total exchange computation time: 2.8891358376 s
-154.1431444656
Anderson extrapolation: theta=0.4814276444 (0.4814276444)
-931.40744010
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3197506001 (a.u.)
total exchange computation time: 2.8865680695 s
-154.1436876302
Anderson extrapolation: theta=0.8131425553 (0.8131425553)
-931.40744499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3197013173 (a.u.)
total exchange computation time: 2.8899090290 s
-154.1439473863
Anderson extrapolation: theta=0.6293885742 (0.6293885742)
-931.40744796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3196915027 (a.u.)
total exchange computation time: 2.8886628151 s
-154.1439217378
Anderson extrapolation: theta=0.6417495225 (0.6417495225)
-931.40744927
-211.765534 77.941626 -36.096004
566.208620 1067.028239 -418.988447
354.443086 1144.969865 -455.084451
1282.063864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3197020072 (a.u.)
total exchange computation time: 2.8860311508 s
677.95377451
-1082.06303640
89.93184807
-390.23017431
-174.68015968
77.38820949
551.60419304
0.00000000
-931.40744982
5.64209168 -31.18943099 -3.81202397
-0.00008628 -0.00017143 0.00018259
-0.03522035 -0.00698344 0.01210756
-11.77895833 -1.01911342 -11.86162608
-0.00022817 0.00009876 0.00008170
0.00998767 -0.01893128 0.02266538
-38.03145112 2.32218898 3.40669444
0.00019038 0.00002586 -0.00021743
0.02127551 0.01993581 -0.01788418
-9.53071918 -2.78933943 2.56553209
-0.00050781 -0.00007811 -0.00022148
0.00886530 0.00975725 0.01720166
0.64153572 -0.19603735 8.98111441
0.00030031 -0.00015750 0.00003769
0.03423888 0.01672720 0.02807851
-32.39711817 2.75384746 1.84943099
0.00009988 -0.00005108 -0.00024904
0.00893398 -0.00475269 0.01236867
13.94385167 13.57425896 -14.32748153
0.00029704 0.00038431 -0.00015071
-0.06794782 -0.00274359 -0.00490328
-3.94114730 7.08248823 4.14695543
-0.00027277 0.00010554 -0.00046073
-0.02054535 -0.00646164 0.03840307
5.74750691 16.70183037 -8.53011478
0.00010657 0.00004603 0.00030102
0.00158118 -0.00447577 -0.01778431
6.86546793 7.11505703 -21.04044466
-0.00016386 0.00036985 -0.00004938
0.01983030 -0.00839379 -0.00759160
23.53289207 17.09498984 -2.32631655
-0.00035286 0.00006801 0.00030616
0.02630523 0.00619907 -0.01288589
1.34894539 12.83013580 -21.08344757
0.00007800 0.00024677 0.00024637
0.01020345 0.02379978 0.02561248
10.33052901 -3.62643409 -1.75877234
0.00018715 -0.00007079 0.00025749
0.02802684 0.00470802 0.00162058
-17.94958473 -2.64786240 4.65435884
0.00020812 -0.00012264 0.00018193
-0.00677919 0.00704728 0.00414672
-15.25042582 0.12176105 18.64265493
-0.00018959 0.00008584 -0.00016392
-0.00231855 -0.01748650 0.01388741
2.79409412 2.73878404 -2.94937619
-0.00009801 0.00011962 0.00021314
-0.01400166 0.00150016 -0.00322927
23.37878757 -7.75767869 -9.58306454
0.00009449 -0.00023669 -0.00014233
0.03324315 -0.00174309 0.01578584
1.38171510 -8.00946185 6.67158966
0.00012371 0.00012285 0.00006161
0.02195504 0.00967565 -0.00934106
-3.81726923 -1.25780721 -18.22954820
0.00024971 0.00050225 0.00018856
-0.00001140 -0.02187088 0.02188576
3.31943143 4.25831651 -10.72248762
-0.00037120 0.00005912 0.00026624
-0.00031879 -0.00635061 -0.00369781
-2.68162874 16.89498829 13.84433712
0.00001676 -0.00019326 0.00022376
0.01813690 0.00404468 0.04712420
-2.23133881 2.06132857 -7.05244732
-0.00018844 -0.00007101 -0.00000816
0.00150376 -0.01384461 -0.01453242
-6.63102909 -2.03356413 -4.38175963
-0.00004373 -0.00007268 -0.00014715
-0.05138672 -0.00501836 -0.02377779
0.35155031 28.18421235 7.27054251
0.00000609 0.00017183 0.00007114
-0.02220868 0.01822673 -0.04445595
10.02513932 -9.11149860 -1.45583483
-0.00002894 -0.00001788 -0.00008665
0.00794220 -0.00386193 -0.00206925
-6.81673363 0.34272005 7.59261076
-0.00009172 0.00016877 -0.00003405
-0.03183321 0.01560193 -0.03468129
18.57805885 11.74514705 6.30806430
0.00027077 -0.00012957 0.00020468
0.05284336 0.01276748 -0.00572131
-3.25398252 -4.00109662 -23.30306414
0.00003781 0.00003679 0.00000504
-0.02041816 0.05795797 0.04334764
-13.65146295 8.26086245 8.24965906
0.00002960 0.00012622 0.00033229
0.00866586 0.01223959 -0.00220304
-11.98087697 7.54426822 -2.58219216
-0.00038737 -0.00016668 -0.00016985
0.00240390 0.01292526 -0.02651888
-3.22093416 -16.23720760 20.41446997
-0.00037150 -0.00011814 0.00013827
0.03953467 0.02899206 0.01380111
-3.17386955 6.91391497 -7.98339706
-0.00037980 -0.00009537 0.00012061
-0.01602250 0.03781578 0.02226018
-20.68033366 29.51999029 1.39043470
0.00013788 0.00006962 -0.00017956
-0.01805957 0.01355435 0.00332435
9.78350825 3.25971863 7.52716326
0.00006342 -0.00035325 -0.00014692
-0.01938837 0.01316246 -0.02970826
6.37220587 14.42688137 -13.25522703
0.00008274 0.00054515 0.00043621
-0.02145196 -0.02697756 0.04009016
14.15299181 3.80866007 -2.86822751
-0.00011702 -0.00012990 0.00024788
-0.01130482 0.03606021 -0.01846178
-6.32113486 11.09025134 -0.50334156
0.00019286 -0.00014270 0.00021810
-0.00823794 -0.01949310 0.02328194
6.07241839 13.12815087 3.17839228
0.00006908 0.00039150 -0.00003289
0.00611232 -0.00648029 -0.00309773
21.89781740 -12.29406694 -11.55382816
0.00005822 0.00013196 -0.00035094
-0.02730812 -0.02197639 -0.00305482
16.67689859 -6.34244215 3.35487159
-0.00003835 -0.00017156 0.00004037
-0.00193996 -0.00302474 0.00856243
15.26135245 7.25092261 9.94454463
0.00005274 -0.00004856 -0.00022865
-0.00037072 -0.00976510 -0.01841481
3.08053875 -13.86866045 16.53162595
-0.00021302 -0.00009549 -0.00017137
0.01501359 0.01732953 -0.00151229
-3.55792744 -0.81123194 -10.74093160
0.00011332 -0.00035978 -0.00017482
0.00237578 -0.00401968 -0.00863053
15.33366392 -7.95421456 -9.51702579
0.00026365 0.00012702 0.00004190
-0.00963984 0.01445759 0.00236348
8.80131804 -3.33043120 6.33901473
0.00040215 -0.00042246 0.00008463
0.04876816 -0.01153679 -0.00001193
-21.39650066 1.61192207 24.54890446
-0.00022248 0.00000795 -0.00006594
0.01096948 0.00690001 0.00544169
24.91315641 -1.70801827 -6.46968062
-0.00005342 -0.00005212 -0.00010970
0.00879008 -0.01005474 -0.00357555
11.63023306 -11.82949302 -10.00709087
0.00023453 -0.00002314 -0.00004160
0.01565620 0.01660663 0.03132169
-4.87368429 -10.24398294 16.65614751
0.00001798 -0.00007961 -0.00003167
0.00045295 0.00247261 -0.04735931
8.08206109 2.22541727 -30.45777194
0.00032177 0.00038699 -0.00049032
-0.00063294 -0.01416364 -0.01112574
10.83295507 17.25301630 14.81266459
0.00006542 -0.00042809 -0.00012174
0.00208356 0.01787302 -0.00835448
30.67795979 7.27412761 -7.69040518
0.00009703 -0.00008076 0.00007808
-0.02682376 0.01945464 0.02338704
5.71137034 -30.11066482 -5.24309973
0.00015885 0.00008357 -0.00008031
0.00896164 0.01308107 -0.02164586
3.95612526 -30.73771659 -3.15214864
-0.00078064 -0.00052753 0.00026787
0.01551546 -0.00173062 0.00385389
-12.32995180 -2.21403679 -13.18736772
-0.00028203 0.00097348 -0.00101182
-0.00576579 0.00210525 -0.00488768
-11.71755856 0.57830900 -12.69184638
0.00039655 -0.00043236 0.00052532
-0.00469410 0.02193395 -0.01160776
-37.86786784 3.69264389 2.06350104
0.00021236 0.00031474 0.00052832
-0.02063333 -0.02301329 0.02554921
-39.64978830 1.45558040 3.38213306
-0.00009622 0.00076519 0.00018170
-0.00018956 0.00900534 -0.00932488
-9.89635411 -3.10149767 0.78976879
0.00076439 -0.00064818 -0.00028398
-0.00690724 -0.00422408 -0.00469571
-8.01285514 -3.74843695 3.02871730
-0.00173815 0.00138728 0.00082586
-0.00945927 0.00121624 -0.00585080
0.15311359 -0.23884597 7.30674742
-0.00017841 -0.00061349 -0.00036476
-0.02012804 -0.01009980 -0.04630400
2.00922988 1.05252097 8.84124856
-0.00013903 0.00025545 -0.00006296
-0.00762544 -0.00830819 0.01441247
-32.00756329 1.04239248 2.41745477
-0.00098781 0.00069861 0.00054356
0.00766845 -0.00721095 -0.00793575
-34.14497318 2.82860821 2.29403830
-0.00068352 0.00094878 -0.00005734
-0.01373202 0.00381118 -0.00308370
12.48754314 12.72088861 -15.29831406
0.00024167 -0.00037217 -0.00061117
0.04483040 0.02124227 0.02101044
15.48599381 13.20930948 -15.13221726
-0.00066470 -0.00083836 -0.00003036
0.02186380 -0.01420074 -0.01178731
-3.89677959 8.86230706 4.63205396
-0.00032541 -0.00039827 0.00067898
-0.00059643 0.00670150 0.00337626
-3.20420413 6.92154113 2.55783252
-0.00156632 -0.00036319 0.00033208
0.02067738 -0.00552763 -0.03617192
5.78544800 16.30393074 -10.38781833
0.00055696 -0.00086189 -0.00030418
0.00489007 0.00175349 0.02457935
7.53393472 16.93418819 -8.03958742
0.00037585 -0.00010307 0.00033384
-0.00306012 -0.00092049 -0.00466675
8.04040730 7.20391500 -22.53737221
-0.00038232 -0.00013024 0.00065974
-0.01548015 -0.00052570 0.00230969
8.13191247 7.45548518 -19.75555426
-0.00050542 0.00051143 -0.00018677
-0.00471373 0.00530350 0.00507091
21.88278838 17.88938366 -2.17573639
-0.00048935 0.00029760 -0.00077413
-0.00934375 -0.00131477 0.00363059
24.53095887 18.26184077 -3.39518760
0.00011810 -0.00097759 0.00036473
-0.01229318 -0.01098385 0.00882685
1.17180919 11.14307143 -21.63913760
0.00067092 -0.00035895 0.00054233
-0.01032690 -0.02211254 -0.01437518
0.87684729 14.17104995 -22.22273109
-0.00071568 -0.00021227 0.00021597
-0.00044534 -0.00492568 -0.01181586
9.90723398 -5.36210067 -1.54988051
0.00008117 0.00163881 -0.00027641
-0.00480818 -0.01814674 0.00108041
8.85587790 -2.62433095 -1.84634719
0.00066830 0.00066077 -0.00192949
-0.02110942 0.00979427 -0.00673724
-18.94562386 -4.09715624 5.03928475
0.00027740 0.00030125 0.00053196
-0.01306711 -0.01034772 0.01095678
-17.30072199 -3.12001883 3.04825793
0.00097699 0.00032487 0.00008735
0.00765559 0.00084852 -0.01696462
-15.33281249 0.03986757 16.84009592
-0.00055380 0.00040209 -0.00014467
0.00352045 -0.00067954 -0.01271802
-13.93094386 1.29553844 18.95855042
0.00073195 -0.00058643 0.00009027
0.00942643 0.01115381 0.00244693
3.18704187 3.47105601 -4.55859409
0.00017068 0.00003778 -0.00010925
-0.00583837 0.01667771 -0.00113549
3.72475045 1.18619050 -3.19280087
-0.00100409 -0.00083593 -0.00055759
0.00604498 -0.00567362 0.01264923
22.85993443 -9.40340469 -10.22380326
-0.00042011 -0.00058554 -0.00039726
0.00173920 -0.00670933 -0.00399120
25.01096992 -7.92229005 -8.64056687
0.00008199 0.00022258 0.00046649
-0.02815089 0.00443186 -0.01796070
2.16090116 -8.42245623 5.02026822
0.00049814 -0.00115468 0.00080892
-0.00725600 0.00227941 0.02136122
2.79159459 -7.50610885 7.81692371
0.00012332 -0.00089903 0.00152261
-0.01692108 -0.01076958 -0.01583237
-4.16024786 -2.95346850 -17.47452600
0.00046756 -0.00005768 0.00032304
0.00919167 0.01703323 -0.01697860
-4.81722311 -0.28104443 -16.97910807
-0.00023163 -0.00050391 0.00039899
-0.00238104 0.00021341 -0.01238436
2.25521140 4.79437629 -12.15037225
-0.00029509 -0.00005885 -0.00093336
0.00256069 0.00022407 0.01080900
2.19798089 3.50884385 -9.49313158
0.00043711 0.00032045 0.00104952
-0.00740785 0.00628711 -0.00417839
-1.02047319 16.00621976 13.47026133
0.00099085 0.00108516 -0.00071103
-0.01244294 -0.00056566 -0.00918651
-2.41977078 17.06685822 15.73139153
0.00014517 0.00013112 0.00010539
-0.01576763 0.00069076 -0.03636198
-1.69820165 0.96775365 -5.71258854
0.00010538 0.00095393 -0.00037400
-0.00429899 -0.00203784 0.00529678
-2.92233352 0.87951225 -8.43880342
0.00081441 0.00066931 0.00033525
0.00372470 0.01476064 0.02106100
-8.14874240 -2.91980612 -5.21309773
-0.00048421 -0.00008099 0.00021537
0.03702481 0.01204356 0.02447937
-7.41305430 -0.37163882 -4.13097331
-0.00051005 0.00013742 0.00027441
0.01191431 -0.00355760 0.00274412
1.50369456 28.58200324 5.79023268
-0.00021836 -0.00058049 0.00032689
-0.02817607 -0.00915276 0.02680965
-1.47158948 28.46831407 6.49761637
0.00042543 0.00025916 0.00103296
0.04711095 -0.01203413 0.01000520
8.31185632 -9.15179630 -2.11167340
0.00057412 0.00029740 -0.00043080
-0.00465328 0.00071822 -0.00291104
9.95286361 -9.99597218 0.14674181
0.00037227 -0.00067306 0.00037271
0.00434416 0.00508851 0.00361805
-5.61224780 -0.00296477 8.85544238
-0.00062045 0.00071150 0.00096620
0.01464436 -0.01007452 0.03775804
-8.45158678 -0.39194528 8.04390285
-0.00001280 0.00060358 0.00042843
0.01473552 0.00030850 0.00498961
19.97781899 11.36712419 7.53544809
-0.00064695 -0.00015938 -0.00000537
-0.02491424 0.00032745 -0.00200607
19.61564704 12.94983984 5.28734300
0.00003643 0.00062893 0.00064782
-0.02095307 -0.01233401 0.01016702
-3.35251132 -2.67547741 -21.84818079
0.00076691 0.00107166 -0.00100889
0.01027688 -0.03705425 -0.02942093
-4.66745863 -3.21889414 -24.27584121
-0.00087609 0.00051287 0.00054390
0.00435440 -0.01578094 -0.00988468
-12.48034320 9.22361874 9.32915703
0.00013893 0.00014941 0.00018890
-0.00767410 -0.00951882 0.00749737
-13.11487738 8.88989392 6.59978540
-0.00008106 -0.00053675 -0.00017411
-0.00311383 -0.00181625 -0.00132807
-12.60218115 7.41537795 -4.36938685
0.00015080 0.00014032 -0.00070973
0.00199919 -0.00242691 0.01388767
-11.43258811 9.32097066 -2.48401626
-0.00033451 -0.00124672 -0.00039278
-0.00442390 -0.00854293 0.00277718
-4.68192338 -17.19604705 20.25975582
-0.00085365 -0.00076927 -0.00038065
-0.03961844 -0.02661035 -0.01123035
-1.84294422 -17.27229711 19.85024842
0.00043383 0.00023041 -0.00080091
-0.00028361 -0.00199901 -0.00443548
-3.55379389 5.53471544 -6.82919496
-0.00063735 -0.00021730 0.00003032
0.00774991 -0.00220852 -0.00864559
-3.53697730 8.48141650 -6.93151708
-0.00032311 0.00105058 0.00089658
0.00319941 -0.02437149 -0.01754072
-21.04393125 28.40688732 0.01773299
-0.00054128 -0.00019035 0.00063859
-0.00257489 -0.00570450 -0.00447686
-18.93423548 29.23585333 1.66882414
-0.00106067 0.00070635 0.00023425
0.02581555 0.00052048 -0.00003330
8.92126965 2.49755639 5.97066217
0.00031467 -0.00024484 0.00057681
0.00402557 0.02306659 0.03773402
9.02207928 5.02626590 7.87403587
0.00028108 0.00045490 0.00038134
0.01169706 -0.03122735 -0.00630482
6.97357463 14.66721178 -14.87849316
0.00007371 0.00080290 0.00086396
0.02048494 0.01536735 -0.04586983
6.09611136 12.59725202 -13.23058332
0.00071207 -0.00128173 -0.00007072
0.00265541 0.01090207 0.00500827
13.21909806 5.34839989 -3.49537244
0.00000893 -0.00000537 0.00019673
0.01710172 -0.02724905 0.00064421
13.61276694 4.02119644 -1.15723449
-0.00004816 -0.00107910 -0.00089883
-0.00534372 -0.01527759 0.01826276
-5.51134741 9.57108055 0.23827464
0.00010722 0.00045532 -0.00064752
-0.01017605 0.01941489 -0.01343370
-8.02848494 11.08430849 0.29782647
-0.00049321 -0.00183721 -0.00102505
0.02144148 -0.00016682 -0.00905658
4.59238724 12.71767611 2.17538671
0.00053987 -0.00005101 0.00020544
-0.00645018 0.00546414 -0.00070928
7.29384657 11.88244916 2.60873666
0.00110140 -0.00053478 -0.00110755
0.00013025 0.00505655 0.01030423
20.41870649 -12.92604048 -10.55614420
0.00117864 0.00037872 0.00012817
0.02407721 0.00524215 -0.01042296
22.12732110 -13.67929524 -12.85088204
-0.00052028 0.00022163 0.00026115
0.00649035 0.01580921 0.01676530
17.95798420 -6.22938188 2.07601038
0.00125666 0.00116310 0.00011435
-0.00037149 -0.00118448 -0.01376344
16.02508397 -8.05477427 3.26150706
0.00061523 0.00051314 0.00040880
0.00084958 0.00749135 -0.00341027
14.05710316 8.35198753 10.76593394
0.00068337 -0.00093854 0.00012444
-0.00284924 0.00619417 0.00396921
16.45600916 6.75465056 11.21738852
0.00053493 -0.00057383 -0.00065484
0.00412544 -0.00023050 0.00893539
2.79159586 -13.24630259 14.85174904
-0.00085186 0.00125722 0.00055769
-0.01281017 -0.00997390 -0.01193289
3.75060214 -12.30598346 17.24481137
-0.00053842 0.00101752 -0.00077801
0.00056256 -0.00853346 0.01007190
-3.34738665 -2.58445495 -10.21735316
-0.00034276 -0.00100803 0.00014320
-0.00200143 0.00201075 0.00714906
-1.91905798 -0.40834869 -11.54239172
-0.00084441 -0.00033033 0.00032162
-0.00250468 -0.00130094 -0.00160865
14.81228156 -7.61484409 -11.31169035
-0.00027142 0.00038251 -0.00106195
0.01269950 -0.00681569 0.01682493
16.79066843 -6.92101006 -8.84914186
0.00002834 -0.00042533 0.00030942
-0.01023534 -0.00672105 -0.02041979
7.10328720 -2.81369141 6.09697818
0.00098137 0.00000789 -0.00129077
-0.02011041 0.00833691 -0.01536009
9.94509687 -3.01586669 4.86741463
-0.00000130 -0.00099587 0.00024021
-0.01762618 -0.00554281 0.01251923
-21.73024526 1.46598358 22.78833528
0.00061076 -0.00093675 -0.00074546
0.00334174 0.00164884 -0.01421539
-22.66110735 0.57704670 25.30027155
-0.00070398 0.00000793 -0.00004785
-0.01410602 -0.01034122 0.00693198
25.53329535 -2.99703413 -7.69289885
0.00034417 0.00030477 -0.00039162
-0.00609658 0.01613842 0.00769160
23.66311653 -0.58836266 -7.17968752
-0.00004017 0.00042589 0.00064567
0.00128585 -0.00802785 -0.00690124
11.18000623 -12.81029163 -8.46696294
0.00090144 -0.00052542 -0.00004428
-0.00395952 0.01010984 -0.02392717
12.59200772 -10.30522126 -9.39661582
-0.00022398 -0.00006325 0.00027461
-0.01060059 -0.02554802 -0.01564075
-5.34771303 -10.46025613 18.37449241
0.00060738 0.00008036 -0.00049240
-0.01951576 0.00023179 0.01552542
-6.24098024 -9.73297577 15.41735439
0.00000053 -0.00021332 -0.00079844
0.02376444 -0.01166678 0.03306223
8.72206041 0.99605719 -31.70322451
0.00053870 0.00068956 -0.00020753
0.00912221 0.00131204 0.00624264
6.42510445 2.46410397 -31.15652855
0.00004148 0.00014357 -0.00062279
-0.01267469 0.00768609 -0.00418654
11.39023057 18.39748789 13.48487604
0.00059733 -0.00030788 -0.00090684
-0.00930362 0.00527510 -0.00012163
12.06339806 15.95468535 14.59372464
-0.00023356 -0.00105770 0.00015995
0.01016209 -0.01870762 0.00050891
30.56238402 5.49337209 -8.17108209
0.00059597 -0.00021512 0.00045707
-0.00188480 -0.00071379 0.00204425
28.94364997 7.91853248 -7.20226477
-0.00142133 0.00007478 0.00014495
0.02972019 -0.02154770 -0.01212292
-8.40889601 4.91443315 5.64979582
-0.00006940 -0.00016880 -0.00005184
0.00696562 0.00525763 0.00880955
-10.76198939 10.13839271 3.45691910
0.00004748 0.00003572 -0.00013872
0.00073848 -0.00421752 0.00282557
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08325876
0.32419107
431.96834209
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3190217269 (a.u.)
total exchange computation time: 2.8902609348 s
-154.1400986421
-931.40411598
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3192196319 (a.u.)
total exchange computation time: 2.8869941235 s
-154.1394135506
Anderson extrapolation: theta=1.3647146514 (1.3647146514)
-931.40433597
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3194402652 (a.u.)
total exchange computation time: 2.8866930008 s
-154.1388884997
Anderson extrapolation: theta=0.0572396225 (0.0572396225)
-931.40447062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3194107827 (a.u.)
total exchange computation time: 2.8903930187 s
-154.1392479117
Anderson extrapolation: theta=2.0935803337 (2.0000000000)
-931.40447671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3193403135 (a.u.)
total exchange computation time: 2.8883771896 s
-154.1400336386
Anderson extrapolation: theta=0.2869046183 (0.2869046183)
-931.40448425
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3193222885 (a.u.)
total exchange computation time: 2.8899431229 s
-154.1402097773
Anderson extrapolation: theta=1.5446157300 (1.5446157300)
-931.40448609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3193123642 (a.u.)
total exchange computation time: 2.8880491257 s
-154.1403039061
Anderson extrapolation: theta=0.3638423162 (0.3638423162)
-931.40448817
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3193263844 (a.u.)
total exchange computation time: 2.8891708851 s
-154.1401707787
Anderson extrapolation: theta=1.0954956358 (1.0954956358)
-931.40448883
-211.796735 77.937498 -36.102399
566.209454 1067.024992 -418.978474
354.412719 1144.962490 -455.080874
1282.047612
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3193539735 (a.u.)
total exchange computation time: 2.8743360043 s
677.95864877
-1082.06109534
89.92672882
-390.23035312
-174.67906449
77.38616990
551.60419304
0.00000000
-931.40448933
5.64066157 -31.19202939 -3.80923842
-0.00010511 -0.00017439 0.00018836
-0.03797719 -0.00450569 0.01033329
-11.78234230 -1.01770497 -11.86031320
-0.00022321 0.00008777 0.00009342
0.00930104 -0.02384355 0.02291618
-38.02851330 2.32265370 3.40336395
0.00020144 0.00003587 -0.00022623
0.02172538 0.01900320 -0.01632506
-9.53830209 -2.79047348 2.56227626
-0.00050534 -0.00007178 -0.00021321
0.00071003 0.01487426 0.01494186
0.64617250 -0.19833533 8.98178803
0.00031729 -0.00014900 0.00005061
0.03178146 0.01631599 0.02218077
-32.39558555 2.75306296 1.84574304
0.00010237 -0.00005228 -0.00024257
0.00075573 0.00007502 0.01281741
13.94804519 13.58001299 -14.32976111
0.00026065 0.00038279 -0.00015317
-0.07356297 -0.00316266 -0.00466154
-3.94531803 7.08404634 4.14019259
-0.00028463 0.00010207 -0.00043824
-0.02559865 -0.00703255 0.04906958
5.74911161 16.70250351 -8.52566810
0.00010778 0.00004348 0.00029100
0.00311085 -0.00543871 -0.02118429
6.86308657 7.12057239 -21.04121458
-0.00015454 0.00036540 -0.00005282
0.01641488 -0.00890456 -0.00578338
23.52770066 17.09603390 -2.32177379
-0.00033995 0.00007081 0.00029995
0.02387685 0.00470472 -0.01128977
1.35015474 12.83392917 -21.07965325
0.00008316 0.00025779 0.00025931
0.00987633 0.01905812 0.02470647
10.33344431 -3.62747772 -1.75490371
0.00020204 -0.00006459 0.00025790
0.02990353 0.01940419 -0.00004830
-17.94648905 -2.64967474 4.65710381
0.00020536 -0.00011846 0.00018345
-0.00397724 0.00918919 0.00176797
-15.25327855 0.12298127 18.64024974
-0.00019021 0.00007721 -0.00015666
-0.00011444 -0.01609699 0.01432194
2.79256990 2.74058411 -2.94619153
-0.00010465 0.00011981 0.00021071
-0.01179486 -0.00076850 -0.00620529
23.38033310 -7.76123584 -9.58513854
0.00011139 -0.00023823 -0.00013441
0.03247874 -0.00422398 0.01499800
1.38365540 -8.00758180 6.67247776
0.00013535 0.00012799 0.00005790
0.02330675 0.01029870 -0.00507418
-3.81352367 -1.25035787 -18.22663545
0.00024962 0.00049016 0.00020002
-0.00031679 -0.02512602 0.02268319
3.31386213 4.25917879 -10.71850830
-0.00037164 0.00005636 0.00026319
-0.00137183 -0.00437780 -0.00817218
-2.68130735 16.89210499 13.84787526
0.00002657 -0.00019118 0.00024747
0.01998806 0.00403570 0.04507440
-2.23415966 2.06020997 -7.05262578
-0.00018770 -0.00007632 -0.00001607
0.00136967 -0.00677438 -0.01622426
-6.63188328 -2.03467371 -4.38405865
-0.00007056 -0.00007459 -0.00015918
-0.05295975 -0.00240185 -0.02300013
0.35155598 28.18686006 7.27143807
-0.00000510 0.00018084 0.00004930
-0.02129872 0.01683288 -0.04045214
10.02473590 -9.11178167 -1.45714251
-0.00002396 -0.00002039 -0.00008636
0.01140949 -0.00591494 0.00316619
-6.81823215 0.34531176 7.59196626
-0.00010738 0.00017665 -0.00005123
-0.02906612 0.01505344 -0.03212597
18.58232418 11.74325276 6.31111247
0.00029692 -0.00012268 0.00020099
0.04884736 0.01402158 -0.00862529
-3.25349410 -4.00032120 -23.30282126
0.00002663 0.00006708 0.00002666
-0.02305132 0.05984150 0.04070125
-13.65098550 8.26280301 8.25463485
0.00003406 0.00013245 0.00033079
0.00867607 0.01195583 -0.00360181
-11.98667825 7.54181792 -2.58484225
-0.00038662 -0.00016172 -0.00018407
0.00050272 0.00635796 -0.02877078
-3.22635415 -16.23886781 20.41659729
-0.00035192 -0.00010513 0.00014477
0.03658762 0.02159485 0.01145515
-3.17962836 6.91263022 -7.98150200
-0.00038829 -0.00007471 0.00013291
-0.01699984 0.04254732 0.02554844
-20.67833508 29.52108691 1.38775410
0.00012614 0.00007748 -0.00017771
-0.02760032 0.01700863 0.00386039
9.78438475 3.25447067 7.52484484
0.00005376 -0.00034533 -0.00016108
-0.01818735 0.01762015 -0.02534369
6.37336425 14.43495449 -13.24852930
0.00007107 0.00052822 0.00045748
-0.02393771 -0.03883375 0.04262350
14.15119294 3.80685059 -2.86458050
-0.00012202 -0.00011167 0.00023594
-0.00816020 0.03486762 -0.02799242
-6.31827374 11.08803564 -0.49998019
0.00018775 -0.00015163 0.00022939
-0.01164197 -0.01524165 0.02059871
6.07347817 13.13399833 3.17788696
0.00007484 0.00038625 -0.00003499
0.01627289 -0.01393758 -0.00507395
21.89858536 -12.29217227 -11.55910408
0.00004492 0.00012150 -0.00035244
-0.02440070 -0.01870474 -0.00277155
16.67631590 -6.34502720 3.35551018
-0.00003734 -0.00017106 0.00004371
0.00585192 0.00497932 0.00443005
15.26214205 7.25015657 9.94104378
0.00005378 -0.00005460 -0.00023852
0.00441706 -0.01372244 -0.01996650
3.07740135 -13.87002596 16.52904963
-0.00020484 -0.00008540 -0.00017177
0.01678185 0.02192594 -0.00007839
-3.55621848 -0.81664416 -10.74358720
0.00011304 -0.00036311 -0.00017827
-0.00346940 -0.00894098 -0.00479648
15.33758153 -7.95225344 -9.51638822
0.00025775 0.00013430 0.00004148
-0.01332456 0.01384237 -0.00398807
8.80753838 -3.33681263 6.34028418
0.00042695 -0.00042847 0.00008507
0.04768517 -0.01183273 0.00170242
-21.39979549 1.61206799 24.54793629
-0.00021758 0.00001101 -0.00006411
0.00808845 0.00499297 0.00170620
24.91238897 -1.70883881 -6.47133991
-0.00004885 -0.00005725 -0.00011140
0.00900218 -0.00991263 -0.00302531
11.63381133 -11.82977604 -10.00759411
0.00024238 -0.00001495 -0.00002546
0.01488523 0.01522874 0.03146046
-4.87341290 -10.24516762 16.65548980
0.00001838 -0.00007818 -0.00005762
0.00110695 0.00309351 -0.05356420
8.08688513 2.23116745 -30.46516960
0.00032072 0.00038014 -0.00049582
-0.00342697 -0.01245419 -0.01028877
10.83394439 17.24666385 14.81080631
0.00006724 -0.00041836 -0.00012706
0.00500928 0.01997075 -0.01234071
30.67931173 7.27299123 -7.68914373
0.00008167 -0.00007008 0.00009054
-0.03289774 0.02207955 0.02506690
5.71402771 -30.10901035 -5.24496775
0.00019401 0.00013297 -0.00016247
0.00825007 0.01109599 -0.01857034
3.94489118 -30.74568260 -3.14801255
-0.00071038 -0.00053534 0.00028046
0.01887446 -0.00209060 0.00231020
-12.33435896 -2.19937010 -13.20269476
-0.00030499 0.00098166 -0.00102891
-0.00547386 0.00190040 -0.00347771
-11.71175418 0.57249567 -12.68432225
0.00037843 -0.00033311 0.00047451
-0.00417451 0.02665246 -0.01326284
-37.86531478 3.69665976 2.07220880
0.00012783 0.00022315 0.00062942
-0.02074356 -0.02181769 0.02394014
-39.65123745 1.46733422 3.38457289
-0.00009842 0.00080106 0.00014351
-0.00088460 0.00855303 -0.00936984
-9.88509999 -3.11134980 0.78536520
0.00073551 -0.00066486 -0.00030324
-0.00722625 -0.00394116 -0.00473422
-8.03921725 -3.72759043 3.04092595
-0.00175885 0.00138133 0.00080733
-0.00067536 -0.00413274 -0.00321961
0.14982060 -0.24835775 7.29985713
-0.00025613 -0.00065411 -0.00054090
-0.01791508 -0.00978702 -0.03991708
2.00691081 1.05609814 8.84074584
-0.00016972 0.00022154 -0.00000515
-0.00739990 -0.00829228 0.01388234
-32.02214544 1.05265064 2.42536496
-0.00095425 0.00066013 0.00051375
0.00876040 -0.01162230 -0.00665651
-34.15564679 2.84295671 2.29308365
-0.00072541 0.00096362 -0.00007354
-0.00677386 0.00345397 -0.00484310
12.49254188 12.71595704 -15.30683773
0.00042601 -0.00028266 -0.00052189
0.04540943 0.02256947 0.02269160
15.47669325 13.19629894 -15.13303384
-0.00056491 -0.00089799 -0.00008206
0.02698382 -0.01498940 -0.01352230
-3.90167908 8.85653839 4.64234205
-0.00032694 -0.00036874 0.00069065
-0.00014931 0.00775087 0.00234087
-3.22706536 6.91592387 2.56170523
-0.00147285 -0.00038628 0.00016408
0.02507951 -0.00577239 -0.04606539
5.79395226 16.29105617 -10.39162788
0.00057636 -0.00085256 -0.00019621
0.00460537 0.00281132 0.02827255
7.53947864 16.93261396 -8.03472282
0.00036065 -0.00010701 0.00031418
-0.00437969 -0.00100758 -0.00495836
8.03419812 7.20194533 -22.52740540
-0.00044155 -0.00013192 0.00066232
-0.01351375 -0.00029787 -0.00104519
8.12418671 7.46331921 -19.75820045
-0.00052182 0.00053392 -0.00016252
-0.00331356 0.00570326 0.00679868
21.87516176 17.89380739 -2.18723709
-0.00052518 0.00029113 -0.00075931
-0.00819138 -0.00185173 0.00362422
24.53235373 18.24684032 -3.38944620
0.00007084 -0.00101846 0.00039760
-0.01084218 -0.00902211 0.00726427
1.18155654 11.13700960 -21.63144312
0.00062919 -0.00044130 0.00048624
-0.01010037 -0.01819877 -0.01308267
0.86609840 14.16771496 -22.21985361
-0.00071770 -0.00023144 0.00016687
-0.00054316 -0.00445839 -0.01222025
9.90830412 -5.33807467 -1.55399353
0.00005393 0.00153679 -0.00026909
-0.00852592 -0.03179001 0.00250232
8.86525558 -2.61411932 -1.87549602
0.00058497 0.00069869 -0.00195724
-0.01968285 0.00876937 -0.00684678
-18.94186331 -4.09295459 5.04759988
0.00022233 0.00025466 0.00057606
-0.01389115 -0.01245652 0.01063229
-17.28583251 -3.11511981 3.04904839
0.00100474 0.00032814 0.00002308
0.00592623 0.00075404 -0.01449665
-15.34101162 0.04587807 16.83753609
-0.00053897 0.00039958 -0.00019648
0.00373722 -0.00054798 -0.01264160
-13.91967574 1.28708378 18.95997942
0.00076612 -0.00054423 0.00009883
0.00730153 0.00950388 0.00174252
3.18942318 3.47213383 -4.56026761
0.00014607 0.00010405 -0.00010906
-0.00621004 0.01575876 0.00122749
3.70987435 1.17347773 -3.20077707
-0.00098303 -0.00085271 -0.00050472
0.00426283 -0.00253936 0.01323109
22.85368601 -9.41239343 -10.22988442
-0.00040971 -0.00060598 -0.00041033
0.00335389 -0.00329405 -0.00240883
25.01133712 -7.91881548 -8.63411985
-0.00003458 0.00023970 0.00039136
-0.02891206 0.00394477 -0.01881776
2.16815089 -8.43970662 5.03305656
0.00047047 -0.00114499 0.00089318
-0.00629022 0.00246490 0.01988827
2.79292582 -7.51992435 7.83927770
0.00004950 -0.00094414 0.00145207
-0.01921400 -0.01130881 -0.01869806
-4.15295276 -2.95381170 -17.47020074
0.00050630 0.00001626 0.00025080
0.00976801 0.01915773 -0.01837930
-4.82077052 -0.28859648 -16.97350278
-0.00024192 -0.00050063 0.00034960
-0.00265519 0.00139248 -0.01178944
2.25086348 4.79350045 -12.16404150
-0.00028030 -0.00006188 -0.00087889
0.00467847 -0.00171055 0.01585837
2.20431061 3.51384324 -9.47751683
0.00040459 0.00034623 0.00103105
-0.00851124 0.00633295 -0.00486208
-1.00599174 16.02247990 13.45931435
0.00093595 0.00108327 -0.00074624
-0.01443043 -0.00036275 -0.00804908
-2.41807645 17.06884624 15.73185817
0.00008152 0.00013332 -0.00004180
-0.01538578 0.00038535 -0.03568778
-1.69675273 0.98200013 -5.71803619
0.00009150 0.00093722 -0.00034279
-0.00249512 -0.00614267 0.00998066
-2.91000326 0.89000425 -8.43312926
0.00082589 0.00072351 0.00041571
0.00189634 0.01177022 0.01832124
-8.15487092 -2.92065193 -5.20911701
-0.00033209 -0.00003198 0.00031523
0.03743691 0.01194927 0.02439981
-7.42033995 -0.36968650 -4.12677301
-0.00045861 0.00011780 0.00028463
0.01326530 -0.00605006 0.00225457
1.49955569 28.57301537 5.79595758
-0.00033010 -0.00061590 0.00043127
-0.02651889 -0.00817930 0.02428543
-1.46376433 28.47183278 6.51341742
0.00061307 0.00021011 0.00107065
0.04473922 -0.01197635 0.00844278
8.32032552 -9.14731329 -2.11822465
0.00054924 0.00029928 -0.00044313
-0.00752773 0.00020416 -0.00312073
9.95858077 -10.00591214 0.15244331
0.00038925 -0.00064716 0.00037740
0.00396563 0.00759049 -0.00131922
-5.62110580 0.00739908 8.87109238
-0.00056333 0.00067190 0.00111577
0.01331755 -0.00931220 0.03545841
-8.45132717 -0.38288213 8.05048225
0.00004479 0.00060409 0.00044833
0.01345174 -0.00005859 0.00475217
19.96735132 11.36474352 7.53530611
-0.00074124 -0.00015962 -0.00000789
-0.02124027 -0.00044633 0.00077318
19.61555139 12.95889584 5.29737190
-0.00004921 0.00057735 0.00068960
-0.02096814 -0.01291689 0.01028409
-3.34069281 -2.66053802 -21.86421570
0.00080912 0.00091998 -0.00112599
0.01038474 -0.03719406 -0.02789935
-4.68046660 -3.21168463 -24.26798564
-0.00085358 0.00044444 0.00050537
0.00666584 -0.01771761 -0.00897411
-12.47849448 9.22556815 9.33222029
0.00010812 0.00011093 0.00021911
-0.00740621 -0.00931437 0.00729028
-13.11618867 8.88178694 6.59713303
-0.00009401 -0.00054431 -0.00017642
-0.00322460 -0.00188397 0.00019872
-12.59985788 7.41740834 -4.37960729
0.00015879 0.00012956 -0.00065036
0.00191173 -0.00283616 0.01517575
-11.43774130 9.30200804 -2.48982291
-0.00034814 -0.00126769 -0.00037971
-0.00224995 -0.00171965 0.00362021
-4.69594217 -17.20840155 20.25370196
-0.00100019 -0.00086891 -0.00042542
-0.03211383 -0.02216353 -0.01068814
-1.83644549 -17.26890226 19.83809880
0.00042337 0.00022824 -0.00081537
-0.00483495 0.00094021 -0.00264320
-3.56311665 5.53138826 -6.82900512
-0.00060548 -0.00022447 -0.00000524
0.00784889 -0.00130219 -0.00876256
-3.54172590 8.49642836 -6.91860585
-0.00030833 0.00094009 0.00081808
0.00403593 -0.02971484 -0.02088469
-21.05212935 28.40385722 0.02717462
-0.00055191 -0.00021685 0.00061710
-0.00263036 -0.00726471 -0.00604039
-18.94935453 29.24646445 1.67233693
-0.00093581 0.00070447 0.00023644
0.03530541 -0.00144046 0.00110364
8.92611299 2.49459068 5.98047068
0.00032731 -0.00015314 0.00072413
0.00216448 0.02181765 0.03437586
9.02665391 5.03213246 7.87956275
0.00033032 0.00032191 0.00035377
0.01240701 -0.03387235 -0.00719124
6.97530805 14.67972614 -14.86693935
0.00015931 0.00086693 0.00067151
0.02141580 0.01597479 -0.04833483
6.10687382 12.57836011 -13.23149071
0.00072615 -0.00121426 -0.00005057
0.00423572 0.02212493 0.00485525
13.21975602 5.34748439 -3.49240172
0.00007853 -0.00011651 0.00019972
0.01697142 -0.02715717 0.00081717
13.61188081 4.00454174 -1.17015730
-0.00007603 -0.00113918 -0.00080524
-0.00829929 -0.01413046 0.02755069
-5.51005097 9.57850530 0.22815026
0.00007162 0.00052457 -0.00069735
-0.00724735 0.01448092 -0.01095951
-8.03522603 11.05674516 0.28217314
-0.00040415 -0.00183616 -0.00106193
0.02215491 0.00068461 -0.00899290
4.60028767 12.71707845 2.17844665
0.00050840 -0.00002930 0.00019924
-0.00895442 0.00516014 -0.00232584
7.31037158 11.87458241 2.59243921
0.00108645 -0.00049795 -0.00105764
-0.00745065 0.01297206 0.01412340
20.43712382 -12.92019910 -10.55454107
0.00126888 0.00039742 0.00009074
0.02009633 0.00391278 -0.00789928
22.11971583 -13.67548636 -12.84645097
-0.00049174 0.00028250 0.00032509
0.00747836 0.01398875 0.01453193
17.97682275 -6.21197171 2.07730389
0.00124299 0.00115514 0.00006887
-0.00632037 -0.00271288 -0.00850121
16.03433846 -8.04684756 3.26753449
0.00061524 0.00053062 0.00039241
-0.00084392 0.00106295 -0.00460895
14.06726641 8.33809926 10.76792212
0.00066410 -0.00090596 0.00014574
-0.00658534 0.00975555 0.00645906
16.46415948 6.74603600 11.20783973
0.00054981 -0.00057374 -0.00062025
0.00316130 0.00027574 0.00799755
2.77842535 -13.22774993 14.85974877
-0.00090557 0.00121457 0.00050560
-0.01348149 -0.01090200 -0.01356551
3.74254315 -12.29098209 17.23344989
-0.00053762 0.00097518 -0.00073648
-0.00017480 -0.01219607 0.01025482
-3.35258936 -2.59951381 -10.21498611
-0.00035082 -0.00099153 0.00017011
-0.00194662 0.00606854 0.00602257
-1.93180086 -0.41334357 -11.53761671
-0.00084316 -0.00033392 0.00030953
0.00311547 -0.00045550 -0.00430978
14.80859945 -7.60931523 -11.32710403
-0.00021567 0.00035193 -0.00098130
0.01458873 -0.00815635 0.02265617
16.79077988 -6.92759597 -8.84512625
-0.00001017 -0.00044965 0.00022669
-0.00861415 -0.00518308 -0.02008020
7.11739154 -2.81331760 6.07714591
0.00089508 0.00004226 -0.00135193
-0.02213264 0.00848547 -0.01457448
9.94453719 -3.03097465 4.87140136
-0.00006802 -0.00101763 0.00028694
-0.01503070 -0.00510810 0.01035716
-21.72098148 1.45198283 22.77671773
0.00062610 -0.00092941 -0.00079283
0.00416543 0.00194588 -0.00896884
-22.67209937 0.57684881 25.29976627
-0.00075745 -0.00003062 -0.00002255
-0.01206437 -0.00853078 0.00545010
25.53827111 -2.99196810 -7.69853752
0.00031862 0.00037104 -0.00036034
-0.00641166 0.01630154 0.00762092
23.66255331 -0.58222035 -7.17021397
-0.00003461 0.00039246 0.00061629
0.00143657 -0.00833385 -0.00747769
11.19340645 -12.81786315 -8.46836035
0.00088460 -0.00048348 -0.00014252
-0.00428215 0.01042215 -0.02416214
12.58832312 -10.30695292 -9.39297602
-0.00026562 -0.00016548 0.00021093
-0.00978068 -0.02449457 -0.01552790
-5.33920031 -10.45904369 18.36758221
0.00052418 0.00008031 -0.00041960
-0.02121339 -0.00025264 0.02011060
-6.24024403 -9.73653306 15.40639089
0.00009979 -0.00026159 -0.00066026
0.02482503 -0.01196267 0.03457969
8.73042039 1.00644086 -31.70614610
0.00057683 0.00069206 -0.00018474
0.00954551 -0.00008953 0.00491229
6.42533828 2.46649305 -31.16599874
-0.00000577 0.00017440 -0.00063841
-0.01045370 0.00740463 -0.00345797
11.39890545 18.39303129 13.47126968
0.00055625 -0.00029425 -0.00089893
-0.01080586 0.00139902 0.00399349
12.06020610 15.93824661 14.59613951
-0.00019475 -0.00113007 0.00016213
0.00883416 -0.01672008 0.00055846
30.57126587 5.49012340 -8.16416347
0.00058745 -0.00021828 0.00046522
-0.00228729 -0.00083260 0.00194680
28.92324074 7.91899388 -7.20046204
-0.00128669 -0.00001832 0.00009233
0.03618925 -0.02402443 -0.01363277
-8.40991835 4.91191521 5.64904192
-0.00006688 -0.00016692 -0.00004871
0.00712992 0.00527993 0.00867061
-10.76127594 10.13892110 3.45484319
0.00004763 0.00003472 -0.00013804
0.00055223 -0.00432884 0.00307341
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08324752
0.32124181
428.03860590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3202969360 (a.u.)
total exchange computation time: 2.7709538937 s
-154.1399466564
-931.40059963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3204471851 (a.u.)
total exchange computation time: 2.7701530457 s
-154.1395535056
Anderson extrapolation: theta=1.3483601668 (1.3483601668)
-931.40082294
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3205837805 (a.u.)
total exchange computation time: 2.7691190243 s
-154.1394921527
Anderson extrapolation: theta=0.0501619691 (0.0501619691)
-931.40095617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3205343705 (a.u.)
total exchange computation time: 2.7706220150 s
-154.1399333075
Anderson extrapolation: theta=1.8754679383 (1.8754679383)
-931.40096098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.509 s
total exchange = -52.3204202354 (a.u.)
total exchange computation time: 2.7688839436 s
-154.1408829247
Anderson extrapolation: theta=0.2123889989 (0.2123889989)
-931.40096604
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3203879650 (a.u.)
total exchange computation time: 2.7707610130 s
-154.1411030090
Anderson extrapolation: theta=1.8938676326 (1.8938676326)
-931.40096705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3203394945 (a.u.)
total exchange computation time: 2.7709290981 s
-154.1413838740
Anderson extrapolation: theta=0.2948841198 (0.2948841198)
-931.40096847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3203386727 (a.u.)
total exchange computation time: 2.7702000141 s
-154.1413336299
Anderson extrapolation: theta=1.3328680783 (1.3328680783)
-931.40096887
-256.201388 77.927626 -36.103091
566.210466 1067.018572 -418.969935
310.009078 1144.946199 -455.073026
1270.471914
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1435370471
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3203477279 (a.u.)
total exchange computation time: 2.7703068256 s
677.98566941
-1082.10543215
89.91945009
-390.19877432
-174.68153458
77.40952355
551.60419304
0.00000000
-931.40096928
5.63893848 -31.19466254 -3.80637315
-0.00012518 -0.00017601 0.00019303
-0.04006765 -0.00180610 0.00781998
-11.78565451 -1.01648047 -11.85882354
-0.00021861 0.00007447 0.00010511
0.00856946 -0.02784414 0.02256888
-38.02540788 2.32326503 3.39990752
0.00021267 0.00004525 -0.00023411
0.02192886 0.01746045 -0.01429734
-9.54587951 -2.79149278 2.55913570
-0.00050725 -0.00006276 -0.00020631
-0.00810476 0.02019844 0.01190402
0.65105445 -0.20050744 8.98263276
0.00033278 -0.00014084 0.00006014
0.02844213 0.01543438 0.01485911
-32.39404710 2.75227904 1.84215397
0.00010073 -0.00005104 -0.00023588
-0.00714619 0.00476547 0.01318685
13.95167120 13.58574262 -14.33207664
0.00022198 0.00038111 -0.00015556
-0.07682145 -0.00338003 -0.00463035
-3.94968624 7.08555020 4.13380831
-0.00029886 0.00009834 -0.00041072
-0.02972866 -0.00746367 0.05795234
5.75074031 16.70313469 -8.52138485
0.00010974 0.00004046 0.00027942
0.00451171 -0.00630268 -0.02382257
6.86083185 7.12601905 -21.04202913
-0.00014704 0.00036070 -0.00005524
0.01273040 -0.00937213 -0.00364871
23.52269344 17.09711426 -2.31731814
-0.00032846 0.00007282 0.00029463
0.02081666 0.00310161 -0.00940178
1.35144028 12.83786957 -21.07566833
0.00008813 0.00026623 0.00027168
0.00944891 0.01373721 0.02340695
10.33659030 -3.62837165 -1.75103545
0.00021770 -0.00005069 0.00025742
0.03097259 0.03461542 -0.00180345
-17.94342406 -2.65141620 4.65986243
0.00020400 -0.00011334 0.00018368
-0.00131277 0.01072720 -0.00088715
-15.25613218 0.12407730 18.63795505
-0.00018961 0.00006935 -0.00014927
0.00244238 -0.01447782 0.01441028
2.79095468 2.74237826 -2.94305475
-0.00011016 0.00011881 0.00020675
-0.00964171 -0.00310223 -0.00921515
23.38212920 -7.76482557 -9.58709684
0.00012770 -0.00024102 -0.00012702
0.03094602 -0.00663861 0.01373956
1.38577551 -8.00562230 6.67332671
0.00014750 0.00013343 0.00005639
0.02395505 0.01086629 -0.00081614
-3.80978054 -1.24310238 -18.22354770
0.00024943 0.00047658 0.00021180
-0.00043036 -0.02770075 0.02311984
3.30828224 4.26000729 -10.71459202
-0.00037255 0.00005455 0.00025795
-0.00215937 -0.00265020 -0.01217143
-2.68083176 16.88925282 13.85176113
0.00003724 -0.00018913 0.00026986
0.02153944 0.00396477 0.04199045
-2.23696994 2.05903910 -7.05292940
-0.00018698 -0.00007791 -0.00002466
0.00143835 0.00056887 -0.01719547
-6.63314603 -2.03580182 -4.38653511
-0.00009799 -0.00007514 -0.00017071
-0.05368796 0.00026067 -0.02181735
0.35139734 28.18963762 7.27202156
-0.00001573 0.00018906 0.00002979
-0.02006053 0.01513758 -0.03541316
10.02442049 -9.11211039 -1.45842576
-0.00001725 -0.00002392 -0.00008349
0.01470536 -0.00780202 0.00799854
-6.81995490 0.34801961 7.59107392
-0.00012130 0.00018423 -0.00006682
-0.02507096 0.01440390 -0.02849208
18.58696635 11.74146664 6.31409409
0.00032078 -0.00011522 0.00019579
0.04395011 0.01500263 -0.01161178
-3.25318352 -3.99908412 -23.30226439
0.00001418 0.00009813 0.00004678
-0.02536630 0.06089883 0.03755494
-13.65044111 8.26483580 8.25958285
0.00003849 0.00013848 0.00032858
0.00854020 0.01151561 -0.00501837
-11.99247565 7.53941667 -2.58771429
-0.00038687 -0.00016025 -0.00019935
-0.00146514 -0.00063877 -0.03064742
-3.23149187 -16.24036142 20.41881298
-0.00033417 -0.00009604 0.00015002
0.03245353 0.01372761 0.00896931
-3.18551831 6.91167371 -7.97940984
-0.00039721 -0.00005186 0.00014670
-0.01769812 0.04630960 0.02808660
-20.67654943 29.52231475 1.38510329
0.00010970 0.00008702 -0.00017565
-0.03634807 0.02006693 0.00414767
9.78512095 3.24935863 7.52233090
0.00004490 -0.00033518 -0.00017281
-0.01626860 0.02188110 -0.02027690
6.37433797 14.44272802 -13.24150275
0.00005843 0.00050571 0.00047942
-0.02520866 -0.04872568 0.04272286
14.14933112 3.80531011 -2.86114945
-0.00012533 -0.00009417 0.00021931
-0.00468981 0.03314931 -0.03666907
-6.31550243 11.08570235 -0.49645990
0.00018088 -0.00015820 0.00023917
-0.01508235 -0.01029742 0.01745219
6.07466349 13.13973825 3.17734249
0.00008551 0.00037745 -0.00003803
0.02522965 -0.02028490 -0.00674560
21.89916508 -12.29042191 -11.56440138
0.00003325 0.00011289 -0.00035382
-0.02098794 -0.01479283 -0.00258072
16.67577836 -6.34757383 3.35618294
-0.00003234 -0.00016633 0.00004497
0.01359658 0.01338896 0.00048188
15.26296573 7.24928467 9.93738890
0.00005727 -0.00006264 -0.00024912
0.00918450 -0.01754007 -0.02123283
3.07439341 -13.87122233 16.52647271
-0.00019584 -0.00007300 -0.00017159
0.01822806 0.02628369 0.00078362
-3.55453628 -0.82212536 -10.74627981
0.00010967 -0.00036893 -0.00017974
-0.00964542 -0.01367111 -0.00091595
15.34139634 -7.95018553 -9.51578141
0.00024995 0.00014117 0.00003798
-0.01700602 0.01288770 -0.00963272
8.81412661 -3.34328534 6.34156677
0.00045079 -0.00043458 0.00008644
0.04501144 -0.01193113 0.00365198
-21.40302792 1.61225243 24.54698128
-0.00021422 0.00001300 -0.00006418
0.00494861 0.00274598 -0.00200434
24.91169098 -1.70973583 -6.47302255
-0.00004421 -0.00006223 -0.00011275
0.00904464 -0.00944073 -0.00223040
11.63750445 -11.82994158 -10.00785463
0.00024978 -0.00000757 -0.00000945
0.01387292 0.01349690 0.03080561
-4.87313296 -10.24632842 16.65441886
0.00001921 -0.00007653 -0.00008633
0.00211581 0.00332303 -0.05808760
8.09168273 2.23682156 -30.47264664
0.00031816 0.00037420 -0.00050089
-0.00652554 -0.01065232 -0.00940194
10.83497235 17.24046546 14.80885283
0.00007060 -0.00040778 -0.00013437
0.00803126 0.02119064 -0.01608195
30.68040987 7.27202518 -7.68768889
0.00006351 -0.00005824 0.00010375
-0.03770604 0.02396383 0.02627939
5.71719070 -30.10667585 -5.24797386
0.00022608 0.00017338 -0.00023092
0.00744558 0.00868617 -0.01493644
3.93481383 -30.75377673 -3.14373487
-0.00062757 -0.00054424 0.00028715
0.02166102 -0.00226559 0.00096347
-12.33910158 -2.18458693 -13.21823494
-0.00032664 0.00098913 -0.00104001
-0.00512120 0.00175511 -0.00195701
-11.70620564 0.56831577 -12.67761094
0.00036246 -0.00021650 0.00041795
-0.00364503 0.03042737 -0.01442352
-37.86403302 3.69933851 2.08238376
0.00004321 0.00013768 0.00072283
-0.02067890 -0.02002038 0.02178224
-39.65274081 1.47961223 3.38643847
-0.00010333 0.00083506 0.00010529
-0.00152094 0.00809071 -0.00934008
-9.87428875 -3.12144347 0.78067148
0.00070548 -0.00068029 -0.00032199
-0.00747641 -0.00361269 -0.00444119
-8.06562075 -3.70699718 3.05293728
-0.00174243 0.00135296 0.00080047
0.00871694 -0.00975475 -0.00013858
0.14542967 -0.25846935 7.29052047
-0.00032362 -0.00069309 -0.00068766
-0.01511920 -0.00929281 -0.03192385
2.00413823 1.05916710 8.84109392
-0.00019890 0.00018830 0.00005021
-0.00688206 -0.00797880 0.01321988
-32.03619071 1.06219652 2.43286720
-0.00091655 0.00060403 0.00048922
0.00969166 -0.01584326 -0.00535156
-34.16673555 2.85751690 2.29183217
-0.00073909 0.00097670 -0.00009684
0.00007944 0.00294952 -0.00656258
12.50032359 12.71240867 -15.31397073
0.00061064 -0.00018876 -0.00042690
0.04496777 0.02339805 0.02380750
15.46904642 13.18236976 -15.13467916
-0.00044698 -0.00096028 -0.00013927
0.03074695 -0.01549985 -0.01448210
-3.90658771 8.85124474 4.65277360
-0.00032662 -0.00033555 0.00069790
0.00030463 0.00849845 0.00120420
-3.24838956 6.90995285 2.56275478
-0.00136340 -0.00041006 -0.00004066
0.02849648 -0.00587126 -0.05415433
5.80273876 16.27835390 -10.39370472
0.00059449 -0.00083919 -0.00007483
0.00427067 0.00373251 0.03114360
7.54475414 16.93097798 -8.03016210
0.00034036 -0.00011123 0.00029346
-0.00554930 -0.00106139 -0.00518176
8.02716072 7.19995740 -22.51750264
-0.00049216 -0.00013269 0.00065071
-0.01125782 -0.00008097 -0.00463932
8.11625787 7.47150278 -19.76042999
-0.00053254 0.00055804 -0.00013140
-0.00193508 0.00610562 0.00843483
21.86703312 17.89811763 -2.19851568
-0.00055567 0.00028216 -0.00074454
-0.00673582 -0.00253968 0.00360406
24.53308412 18.23128694 -3.38325960
0.00003019 -0.00105073 0.00042343
-0.00905567 -0.00677398 0.00538153
1.19068489 11.12983243 -21.62455042
0.00058851 -0.00050618 0.00043596
-0.00981406 -0.01355986 -0.01153038
0.85531623 14.16410674 -22.21772506
-0.00072001 -0.00024893 0.00011641
-0.00058428 -0.00410515 -0.01247885
9.90885174 -5.31599695 -1.55795319
0.00001136 0.00137935 -0.00025617
-0.01230834 -0.04527999 0.00381980
8.87342698 -2.60337024 -1.90506447
0.00050941 0.00073102 -0.00198511
-0.01730520 0.00705777 -0.00679479
-18.93895410 -4.08951634 5.05656663
0.00016474 0.00020057 0.00061845
-0.01429597 -0.01402449 0.01011603
-17.27057983 -3.11017459 3.04895042
0.00102487 0.00033115 -0.00003015
0.00392871 0.00072000 -0.01156010
-15.34898171 0.05185498 16.83420151
-0.00052319 0.00039767 -0.00024700
0.00399026 -0.00038560 -0.01208782
-13.90796014 1.27921159 18.96151521
0.00079084 -0.00050930 0.00010430
0.00479597 0.00759436 0.00093778
3.19142390 3.47417744 -4.56186591
0.00011997 0.00016631 -0.00009906
-0.00656641 0.01472057 0.00366827
3.69525950 1.16060933 -3.20794239
-0.00096921 -0.00085630 -0.00044958
0.00250207 0.00078014 0.01375763
22.84764314 -9.42158404 -10.23611322
-0.00039268 -0.00061241 -0.00041694
0.00498386 0.00014599 -0.00082735
25.00993242 -7.91509914 -8.62882610
-0.00015267 0.00025468 0.00031369
-0.02889077 0.00338898 -0.01920071
2.17501512 -8.45680594 5.04706377
0.00044710 -0.00113492 0.00097051
-0.00514769 0.00246433 0.01796095
2.79307950 -7.53443292 7.86048576
-0.00003259 -0.00099093 0.00137076
-0.02096766 -0.01159865 -0.02110105
-4.14505901 -2.95298080 -17.46700187
0.00054705 0.00009752 0.00017357
0.01017998 0.02061956 -0.01942716
-4.82448067 -0.29606319 -16.96862002
-0.00025345 -0.00049252 0.00030287
-0.00298814 0.00257635 -0.01108634
2.24680228 4.79251977 -12.17673884
-0.00025755 -0.00007234 -0.00080479
0.00645897 -0.00340532 0.02041396
2.21011871 3.51923075 -9.46220006
0.00036773 0.00037218 0.00100985
-0.00953368 0.00637043 -0.00551610
-0.99239468 16.03871781 13.44787408
0.00087317 0.00108197 -0.00077671
-0.01630200 -0.00027403 -0.00686719
-2.41732506 17.07085787 15.73013764
0.00001980 0.00013448 -0.00018415
-0.01482826 0.00017918 -0.03399586
-1.69545673 0.99587015 -5.72287215
0.00008501 0.00090409 -0.00029268
-0.00067852 -0.01007297 0.01454880
-2.89755679 0.90121761 -8.42633226
0.00082947 0.00076455 0.00048370
-0.00014364 0.00831724 0.01496038
-8.15870508 -2.92076541 -5.20364091
-0.00017994 0.00001576 0.00041376
0.03703948 0.01141623 0.02383095
-7.42681262 -0.36810496 -4.12243454
-0.00040203 0.00008867 0.00029289
0.01443193 -0.00820541 0.00179053
1.49379159 28.56352622 5.80317085
-0.00043367 -0.00064700 0.00052375
-0.02418148 -0.00704363 0.02098393
-1.45319729 28.47461751 6.52973590
0.00078897 0.00016163 0.00110141
0.04136540 -0.01175498 0.00661232
8.32833337 -9.14281776 -2.12496716
0.00051301 0.00029907 -0.00045620
-0.01020233 -0.00030777 -0.00328175
9.96454097 -10.01538691 0.15806395
0.00040458 -0.00061135 0.00036261
0.00354143 0.00993717 -0.00592218
-5.62914762 0.01719222 8.88891549
-0.00051341 0.00063590 0.00125361
0.01111808 -0.00830839 0.03201385
-8.45024315 -0.37382256 8.05735288
0.00009637 0.00060282 0.00046734
0.01180043 -0.00056229 0.00455013
19.95558191 11.36233549 7.53521151
-0.00081950 -0.00016330 0.00000185
-0.01706868 -0.00135259 0.00399222
19.61417068 12.96716022 5.30803108
-0.00013405 0.00052429 0.00073112
-0.02056153 -0.01305594 0.01003717
-3.32823785 -2.64787812 -21.88196046
0.00085164 0.00076917 -0.00123564
0.01043246 -0.03662760 -0.02577576
-4.69306604 -3.20556097 -24.26068007
-0.00082201 0.00036846 0.00047035
0.00878569 -0.01947595 -0.00816735
-12.47709966 9.22694671 9.33573035
0.00007862 0.00007353 0.00024851
-0.00703516 -0.00899672 0.00709858
-13.11769757 8.87356451 6.59449285
-0.00010730 -0.00055200 -0.00017250
-0.00328427 -0.00188061 0.00172079
-12.59741745 7.41926490 -4.38889767
0.00016619 0.00011713 -0.00058646
0.00171000 -0.00324848 0.01610532
-11.44303237 9.28294002 -2.49540769
-0.00035253 -0.00125984 -0.00036319
0.00010109 0.00556099 0.00446877
-4.71192909 -17.22211438 20.24699307
-0.00111415 -0.00094890 -0.00046762
-0.02367192 -0.01698962 -0.00996485
-1.83024307 -17.26544980 19.82578719
0.00039481 0.00023762 -0.00082257
-0.00914542 0.00365147 -0.00087860
-3.57195839 5.52798128 -6.82935230
-0.00057326 -0.00022813 -0.00004112
0.00792700 -0.00048691 -0.00879626
-3.54622714 8.50961911 -6.90697456
-0.00029063 0.00080987 0.00072733
0.00462724 -0.03402781 -0.02353782
-21.06048865 28.40038189 0.03624606
-0.00056256 -0.00024926 0.00058989
-0.00258277 -0.00860138 -0.00728071
-18.96230985 29.25698730 1.67591737
-0.00077397 0.00069496 0.00024308
0.04391979 -0.00321171 0.00214859
8.93108899 2.49296208 5.99238594
0.00033147 -0.00006759 0.00085589
-0.00013086 0.02006012 0.03012131
9.03198891 5.03592311 7.88464891
0.00038185 0.00017947 0.00032292
0.01281433 -0.03585028 -0.00790876
6.97835396 14.69321954 -14.85834780
0.00024682 0.00093247 0.00047401
0.02141873 0.01610960 -0.04834538
6.11789586 12.56082415 -13.23210054
0.00074597 -0.00110413 -0.00003097
0.00546477 0.03178754 0.00474116
13.22145409 5.34490454 -3.48938092
0.00014678 -0.00022590 0.00020302
0.01643370 -0.02639028 0.00080057
13.61048604 3.98702103 -1.18139162
-0.00011595 -0.00119494 -0.00067458
-0.01124042 -0.01316438 0.03640571
-5.50919870 9.58681753 0.21735422
0.00004892 0.00057212 -0.00073644
-0.00386426 0.00879819 -0.00817739
-8.04060933 11.02922380 0.26596866
-0.00031302 -0.00183160 -0.00109819
0.02245091 0.00154709 -0.00876019
4.60763932 12.71679703 2.18136404
0.00046709 -0.00000886 0.00018664
-0.01127046 0.00484472 -0.00384241
7.32643996 11.86751067 2.57700733
0.00104253 -0.00043096 -0.00099300
-0.01404810 0.01982179 0.01752253
20.45677278 -12.91411791 -10.55342206
0.00134169 0.00041019 0.00006460
0.01554426 0.00233633 -0.00489700
22.11256888 -13.67082015 -12.84112930
-0.00045913 0.00033511 0.00037913
0.00848309 0.01176106 0.01191884
17.99527395 -6.19472781 2.07807640
0.00120528 0.00114074 0.00004439
-0.01213803 -0.00433282 -0.00347988
16.04354123 -8.03885571 3.27327946
0.00060810 0.00052116 0.00037123
-0.00264969 -0.00569336 -0.00575874
14.07702607 8.32480887 10.77030614
0.00062996 -0.00085928 0.00017705
-0.01012486 0.01309400 0.00886796
16.47250355 6.73743833 11.19878107
0.00056036 -0.00057141 -0.00058990
0.00200011 0.00086680 0.00685698
2.76442862 -13.20986541 14.86691713
-0.00096172 0.00116799 0.00044795
-0.01399984 -0.01189847 -0.01465512
3.73447344 -12.27672817 17.22271689
-0.00053951 0.00091845 -0.00069415
-0.00074792 -0.01557043 0.01046956
-3.35791137 -2.61420074 -10.21224996
-0.00035855 -0.00095899 0.00019250
-0.00183509 0.00985986 0.00493957
-1.94435281 -0.41836637 -11.53310582
-0.00081838 -0.00033387 0.00028616
0.00901401 0.00048083 -0.00713072
14.80581143 -7.60428623 -11.34112920
-0.00015278 0.00031627 -0.00087867
0.01619541 -0.00929906 0.02757989
16.79036341 -6.93449952 -8.84234128
-0.00004152 -0.00046737 0.00014574
-0.00673331 -0.00348947 -0.01954152
7.13013946 -2.81242376 6.05642043
0.00080291 0.00007650 -0.00140942
-0.02298443 0.00827581 -0.01357051
9.94305634 -3.04639567 4.87602285
-0.00012325 -0.00103749 0.00032392
-0.01200635 -0.00460970 0.00774500
-21.71146241 1.43810133 22.76455051
0.00064465 -0.00092067 -0.00081829
0.00491596 0.00232925 -0.00349596
-22.68383076 0.57612809 25.29959501
-0.00080187 -0.00006125 -0.00000380
-0.00968157 -0.00646180 0.00372794
25.54285393 -2.98590300 -7.70370912
0.00029212 0.00043727 -0.00032993
-0.00655856 0.01611989 0.00726676
23.66207813 -0.57658879 -7.16119870
-0.00002845 0.00035787 0.00058463
0.00158181 -0.00860020 -0.00802247
11.20654424 -12.82479594 -8.47123857
0.00086621 -0.00044088 -0.00024061
-0.00471848 0.01042714 -0.02385392
12.58403909 -10.31018576 -9.39028786
-0.00030316 -0.00026210 0.00014833
-0.00859534 -0.02280044 -0.01511491
-5.33198767 -10.45784674 18.36190450
0.00043477 0.00007851 -0.00032998
-0.02255393 -0.00062891 0.02375571
-6.23798639 -9.74082349 15.39754665
0.00020191 -0.00031050 -0.00051727
0.02516322 -0.01197878 0.03541250
8.73936537 1.01681905 -31.70876664
0.00061665 0.00068873 -0.00016755
0.00994801 -0.00154282 0.00350104
6.42493144 2.46933592 -31.17568085
-0.00004327 0.00020391 -0.00065088
-0.00790629 0.00704347 -0.00264481
11.40691808 18.38866043 13.45790807
0.00050933 -0.00029592 -0.00087485
-0.01216040 -0.00221821 0.00779606
12.05755555 15.92078316 14.59858860
-0.00016218 -0.00119322 0.00016454
0.00711119 -0.01419196 0.00062069
30.58000754 5.48682369 -8.15712554
0.00057740 -0.00022165 0.00047302
-0.00263087 -0.00081464 0.00187345
28.90504941 7.91798290 -7.19949481
-0.00112833 -0.00012027 0.00003439
0.04132828 -0.02588120 -0.01473115
-8.41090240 4.90942561 5.64833457
-0.00006429 -0.00016502 -0.00004563
0.00731521 0.00531001 0.00852566
-10.76056057 10.13943442 3.45277797
0.00004774 0.00003370 -0.00013730
0.00037715 -0.00445816 0.00327886
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08323615
0.31773313
423.36346496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3224244979 (a.u.)
total exchange computation time: 2.7127108574 s
-154.1450930015
-931.39675058
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3225480863 (a.u.)
total exchange computation time: 2.7130379677 s
-154.1450193643
Anderson extrapolation: theta=1.3536958566 (1.3536958566)
-931.39698533
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3226593250 (a.u.)
total exchange computation time: 2.7127339840 s
-154.1453323984
Anderson extrapolation: theta=0.0532524075 (0.0532524075)
-931.39712706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3226168944 (a.u.)
total exchange computation time: 2.7125730515 s
-154.1457530238
Anderson extrapolation: theta=1.9660581434 (1.9660581434)
-931.39713273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3225168109 (a.u.)
total exchange computation time: 2.7124369144 s
-154.1466732216
Anderson extrapolation: theta=0.2268462151 (0.2268462151)
-931.39713916
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.510 s
total exchange = -52.3224903773 (a.u.)
total exchange computation time: 2.7130999565 s
-154.1468725642
Anderson extrapolation: theta=1.8631042646 (1.8631042646)
-931.39714051
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3224562559 (a.u.)
total exchange computation time: 2.7154841423 s
-154.1470886549
Anderson extrapolation: theta=0.2892034701 (0.2892034701)
-931.39714236
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3224614276 (a.u.)
total exchange computation time: 2.7121438980 s
-154.1470051959
Anderson extrapolation: theta=1.3172960957 (1.3172960957)
-931.39714286
-256.226015 77.910759 -36.097954
566.212181 1067.008841 -418.962373
309.986166 1144.919600 -455.060328
1270.437805
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3224785864 (a.u.)
total exchange computation time: 2.7412769794 s
678.03285318
-1082.19180328
89.91015733
-390.13843544
-174.68743654
77.45578295
551.60419304
0.00000000
-931.39714334
5.63690628 -31.19730963 -3.80344756
-0.00014614 -0.00017621 0.00019625
-0.04146704 0.00100349 0.00472487
-11.78890062 -1.01547077 -11.85715976
-0.00021439 0.00005941 0.00011647
0.00783548 -0.03072270 0.02157741
-38.02213329 2.32401106 3.39634078
0.00022393 0.00005367 -0.00024082
0.02188776 0.01529060 -0.01181041
-9.55351947 -2.79235626 2.55608698
-0.00051376 -0.00005099 -0.00020114
-0.01722443 0.02555342 0.00821245
0.65615583 -0.20256048 8.98359212
0.00034637 -0.00013324 0.00006567
0.02439766 0.01409934 0.00665055
-32.39256378 2.75153188 1.83866664
0.00009516 -0.00004745 -0.00022902
-0.01448313 0.00919839 0.01350474
13.95470455 13.59144618 -14.33442790
0.00018226 0.00037933 -0.00015802
-0.07761430 -0.00351647 -0.00492838
-3.95428381 7.08699648 4.12787111
-0.00031490 0.00009439 -0.00037926
-0.03265696 -0.00787267 0.06437506
5.75240381 16.70371725 -8.51728538
0.00011240 0.00003702 0.00026668
0.00582093 -0.00705126 -0.02572051
6.85867533 7.13139341 -21.04287182
-0.00014149 0.00035577 -0.00005648
0.00887015 -0.00978942 -0.00118691
23.51784682 17.09821855 -2.31293501
-0.00031868 0.00007397 0.00029035
0.01720463 0.00137906 -0.00723478
1.35279872 12.84191595 -21.07150283
0.00009286 0.00027184 0.00028330
0.00895160 0.00810526 0.02179434
10.33997524 -3.62899853 -1.74718111
0.00023369 -0.00002910 0.00025604
0.03120878 0.04934098 -0.00354897
-17.94036919 -2.65307490 4.66261420
0.00020394 -0.00010759 0.00018251
0.00110899 0.01164050 -0.00366735
-15.25896696 0.12506164 18.63577152
-0.00018764 0.00006235 -0.00014193
0.00523667 -0.01273308 0.01414283
2.78926508 2.74414847 -2.93998905
-0.00011460 0.00011662 0.00020125
-0.00762031 -0.00542453 -0.01216018
23.38416403 -7.76846652 -9.58894914
0.00014301 -0.00024502 -0.00012039
0.02861830 -0.00889735 0.01205432
1.38808042 -8.00357896 6.67416936
0.00015981 0.00013915 0.00005704
0.02392932 0.01139910 0.00335354
-3.80604074 -1.23606058 -18.22028160
0.00024924 0.00046185 0.00022371
-0.00031499 -0.02957033 0.02322954
3.30268569 4.26081535 -10.71076965
-0.00037379 0.00005356 0.00025081
-0.00266586 -0.00119308 -0.01562359
-2.68019000 16.88643123 13.85597094
0.00004865 -0.00018710 0.00029041
0.02280847 0.00389968 0.03791969
-2.23976912 2.05787262 -7.05336568
-0.00018614 -0.00007570 -0.00003352
0.00182127 0.00804706 -0.01722820
-6.63482296 -2.03692792 -4.38917989
-0.00012553 -0.00007431 -0.00018153
-0.05340467 0.00297269 -0.02026121
0.35108393 28.19253197 7.27233185
-0.00002562 0.00019634 0.00001315
-0.01839721 0.01314464 -0.02932197
10.02421854 -9.11249929 -1.45964730
-0.00000891 -0.00002836 -0.00007828
0.01771674 -0.00946437 0.01227514
-6.82187107 0.35083859 7.58996177
-0.00013292 0.00019146 -0.00008031
-0.02011819 0.01371048 -0.02397155
18.59194759 11.73979626 6.31698613
0.00034192 -0.00010732 0.00018904
0.03824171 0.01570156 -0.01465110
-3.25306863 -3.99737723 -23.30141779
0.00000062 0.00012950 0.00006517
-0.02738708 0.06108891 0.03395321
-13.64983084 8.26695743 8.26449214
0.00004281 0.00014426 0.00032563
0.00824564 0.01096402 -0.00642967
-11.99828435 7.53701050 -2.59082277
-0.00038814 -0.00016243 -0.00021550
-0.00345769 -0.00784212 -0.03213227
-3.23637922 -16.24174913 20.42109787
-0.00031873 -0.00009102 0.00015398
0.02756791 0.00579884 0.00644662
-3.19154479 6.91107446 -7.97710101
-0.00040643 -0.00002729 0.00016162
-0.01814224 0.04921864 0.02992460
-20.67504419 29.52369740 1.38248447
0.00008910 0.00009799 -0.00017349
-0.04374940 0.02261187 0.00426652
9.78573163 3.24441541 7.51966054
0.00003721 -0.00032287 -0.00018175
-0.01363471 0.02598500 -0.01450122
6.37511720 14.45012564 -13.23414661
0.00004546 0.00047862 0.00050079
-0.02525070 -0.05660048 0.04038275
14.14743312 3.80402536 -2.85800128
-0.00012680 -0.00007768 0.00019855
-0.00104359 0.03100470 -0.04404653
-6.31284748 11.08328963 -0.49280498
0.00017224 -0.00016207 0.00024724
-0.01848771 -0.00473858 0.01391891
6.07604345 13.14532169 3.17674598
0.00010045 0.00036566 -0.00004186
0.03286575 -0.02554863 -0.00813977
21.89958289 -12.28878567 -11.56971860
0.00002344 0.00010644 -0.00035512
-0.01714502 -0.01027640 -0.00248831
16.67534571 -6.35001717 3.35685942
-0.00002344 -0.00015726 0.00004430
0.02100363 0.02190180 -0.00311120
15.26386026 7.24827745 9.93357022
0.00006316 -0.00007256 -0.00026028
0.01370629 -0.02105036 -0.02216880
3.07152609 -13.87221592 16.52390183
-0.00018618 -0.00005843 -0.00017112
0.01932758 0.03036108 0.00105395
-3.55292850 -0.82771202 -10.74897948
0.00010308 -0.00037710 -0.00017924
-0.01596370 -0.01808605 0.00287828
15.34507996 -7.94801820 -9.51524892
0.00024026 0.00014748 0.00003175
-0.02065472 0.01164504 -0.01458936
8.82106208 -3.34985011 6.34287753
0.00047286 -0.00044066 0.00008887
0.04081256 -0.01171418 0.00578336
-21.40622217 1.61245805 24.54601081
-0.00021251 0.00001378 -0.00006613
0.00169827 0.00026150 -0.00554983
24.91106277 -1.71070567 -6.47472239
-0.00003959 -0.00006689 -0.00011363
0.00891610 -0.00869359 -0.00120035
11.64130459 -11.83000300 -10.00787750
0.00025659 -0.00000115 0.00000603
0.01263332 0.01144197 0.02936908
-4.87283671 -10.24746359 16.65289979
0.00002063 -0.00007486 -0.00011689
0.00341742 0.00316238 -0.06074162
8.09642999 2.24239349 -30.48019621
0.00031396 0.00036919 -0.00050549
-0.00982413 -0.00881893 -0.00850874
10.83606227 17.23443056 14.80677528
0.00007553 -0.00039676 -0.00014351
0.01116507 0.02163090 -0.01945100
30.68121712 7.27124401 -7.68603132
0.00004318 -0.00004561 0.00011747
-0.04137319 0.02515771 0.02706619
5.72080999 -30.10380901 -5.25189538
0.00025469 0.00020334 -0.00028375
0.00656252 0.00598220 -0.01092574
3.92606401 -30.76200971 -3.13939814
-0.00053462 -0.00055349 0.00028877
0.02383972 -0.00226295 -0.00016908
-12.34415807 -2.16969621 -13.23389506
-0.00034674 0.00099607 -0.00104473
-0.00472116 0.00164343 -0.00035241
-11.70088049 0.56600064 -12.67178360
0.00034859 -0.00008683 0.00035785
-0.00314321 0.03304710 -0.01499789
-37.86401858 3.70079029 2.09389368
-0.00004078 0.00006082 0.00080632
-0.02043489 -0.01760429 0.01908605
-39.65433738 1.49238609 3.38773163
-0.00011067 0.00086717 0.00006735
-0.00207185 0.00762607 -0.00923459
-9.86393570 -3.13175854 0.77570557
0.00067454 -0.00069430 -0.00033892
-0.00766880 -0.00324288 -0.00384682
-8.09149002 -3.68700177 3.06494012
-0.00168711 0.00130151 0.00080690
0.01836269 -0.01542877 0.00328433
0.14011214 -0.26915047 7.27922732
-0.00037883 -0.00072969 -0.00079967
-0.01190700 -0.00862319 -0.02290360
2.00094387 1.06174707 8.84225219
-0.00022539 0.00015694 0.00010263
-0.00608566 -0.00737188 0.01244096
-32.04964201 1.07077142 2.44004146
-0.00087545 0.00053144 0.00046990
0.01042784 -0.01968620 -0.00410210
-34.17781945 2.87225785 2.29017851
-0.00072546 0.00098747 -0.00012695
0.00659358 0.00232229 -0.00817671
12.51086120 12.71029428 -15.31964465
0.00079158 -0.00009238 -0.00032837
0.04360259 0.02377836 0.02442183
15.46328396 13.16749065 -15.13721202
-0.00031686 -0.00102384 -0.00019855
0.03294712 -0.01561491 -0.01453629
-3.91147768 8.84647193 4.66327896
-0.00032444 -0.00029989 0.00070030
0.00076362 0.00895638 -0.00002843
-3.26796732 6.90362199 2.56048541
-0.00124254 -0.00043375 -0.00027328
0.03066301 -0.00572348 -0.05971459
5.81178700 16.26588038 -10.39387289
0.00061117 -0.00082236 0.00005663
0.00389593 0.00450913 0.03321090
7.54968955 16.92927695 -8.02591895
0.00031564 -0.00011560 0.00027198
-0.00655221 -0.00107705 -0.00533200
8.01943338 7.19796450 -22.50788421
-0.00053304 -0.00013261 0.00062405
-0.00875286 0.00012185 -0.00841036
8.10821045 7.48006054 -19.76214258
-0.00053777 0.00058380 -0.00009392
-0.00062277 0.00650030 0.00991265
21.85849167 17.90227222 -2.20957339
-0.00057972 0.00027013 -0.00072986
-0.00503647 -0.00334860 0.00358205
24.53325952 18.21531840 -3.37674319
-0.00000255 -0.00107334 0.00044100
-0.00697373 -0.00429161 0.00321759
1.19921176 11.12182424 -21.61836438
0.00054905 -0.00055117 0.00039237
-0.00949937 -0.00846216 -0.00980633
0.84449824 14.16024692 -22.21636129
-0.00072233 -0.00026528 0.00006525
-0.00055526 -0.00389386 -0.01256440
9.90864503 -5.29669427 -1.56167875
-0.00004631 0.00116898 -0.00023829
-0.01592238 -0.05769793 0.00493241
8.88053780 -2.59218862 -1.93504934
0.00044510 0.00075518 -0.00201234
-0.01417594 0.00476573 -0.00653361
-18.93692104 -4.08693761 5.06615335
0.00010646 0.00014130 0.00065831
-0.01423578 -0.01498592 0.00939853
-17.25508638 -3.10518524 3.04814396
0.00103642 0.00033408 -0.00007072
0.00172531 0.00071185 -0.00830208
-15.35670726 0.05780826 16.83012611
-0.00050630 0.00039647 -0.00029434
0.00427745 -0.00020090 -0.01108344
-13.89595062 1.27180482 18.96310848
0.00080476 -0.00048249 0.00010635
0.00202148 0.00553103 0.00006471
3.19302220 3.47712321 -4.56323939
0.00009247 0.00022419 -0.00007911
-0.00689157 0.01360840 0.00609455
3.68079799 1.14778874 -3.21426455
-0.00096240 -0.00084622 -0.00039244
0.00083260 0.00415568 0.01421441
22.84190571 -9.43076571 -10.24239272
-0.00036902 -0.00060496 -0.00041718
0.00659380 0.00350025 0.00070909
25.00675712 -7.91117511 -8.62470910
-0.00026906 0.00026724 0.00023545
-0.02808463 0.00276125 -0.01909970
2.18156387 -8.47375424 5.06217174
0.00042872 -0.00112524 0.00103914
-0.00384871 0.00227552 0.01563628
2.79194815 -7.54965234 7.88040061
-0.00012074 -0.00103843 0.00128064
-0.02218114 -0.01165168 -0.02301324
-4.13654136 -2.95088620 -17.46499363
0.00058916 0.00018339 0.00009278
0.01043682 0.02141746 -0.02012110
-4.82837394 -0.30337200 -16.96441670
-0.00026643 -0.00047960 0.00025919
-0.00336614 0.00374727 -0.01029657
2.24313694 4.79133039 -12.18818509
-0.00022826 -0.00008918 -0.00071322
0.00787832 -0.00484227 0.02440714
2.21534253 3.52500868 -9.44722135
0.00032688 0.00039829 0.00098602
-0.01046325 0.00640895 -0.00614647
-0.97979671 16.05493892 13.43601295
0.00080299 0.00108089 -0.00080225
-0.01804825 -0.00025192 -0.00563401
-2.41748244 17.07288049 15.72633364
-0.00003930 0.00013499 -0.00031758
-0.01410307 0.00007357 -0.03131928
-1.69420231 1.00912284 -5.72681648
0.00008577 0.00085562 -0.00022459
0.00105063 -0.01365307 0.01877782
-2.88511911 0.91294069 -8.41861839
0.00082430 0.00079052 0.00053666
-0.00238781 0.00439650 0.01096728
-8.16026923 -2.92017924 -5.19670430
-0.00003106 0.00006043 0.00050909
0.03584244 0.01045091 0.02283603
-7.43240081 -0.36702631 -4.11798634
-0.00034109 0.00005152 0.00029932
0.01539786 -0.00997934 0.00135846
1.48654549 28.55360540 5.81167013
-0.00052632 -0.00067317 0.00060117
-0.02117032 -0.00576620 0.01691194
-1.44009513 28.47668182 6.54645963
0.00094885 0.00011443 0.00112408
0.03689407 -0.01135082 0.00448406
8.33571596 -9.13834110 -2.13191079
0.00046650 0.00029678 -0.00046977
-0.01256939 -0.00081544 -0.00335743
9.97071822 -10.02425267 0.16332164
0.00041810 -0.00056642 0.00032997
0.00307674 0.01205453 -0.01005743
-5.63650806 0.02647618 8.90870060
-0.00047381 0.00060434 0.00137541
0.00826534 -0.00714047 0.02760762
-8.44843592 -0.36479746 8.06450238
0.00014056 0.00059925 0.00048559
0.00983083 -0.00118418 0.00438225
19.94276644 11.35984457 7.53536158
-0.00087985 -0.00017092 0.00002555
-0.01247675 -0.00237783 0.00761088
19.61152984 12.97462446 5.31930540
-0.00021639 0.00047157 0.00077091
-0.01974340 -0.01274717 0.00944387
-3.31514353 -2.63746298 -21.90128492
0.00089426 0.00062217 -0.00133541
0.01043046 -0.03533025 -0.02306421
-4.70512703 -3.20063091 -24.25387504
-0.00078231 0.00028573 0.00043839
0.01064981 -0.02101925 -0.00747939
-12.47613600 9.22777391 9.33967545
0.00005078 0.00003760 0.00027715
-0.00658926 -0.00858748 0.00692540
-13.11940776 8.86522682 6.59195812
-0.00012087 -0.00055971 -0.00016202
-0.00335594 -0.00189022 0.00340546
-12.59487222 7.42092238 -4.39720101
0.00017254 0.00010303 -0.00051951
0.00139799 -0.00365621 0.01666732
-11.44831726 9.26421282 -2.50071860
-0.00034710 -0.00122178 -0.00034321
0.00255614 0.01306779 0.00530959
-4.72936678 -17.23686843 20.23967347
-0.00119282 -0.00100695 -0.00050657
-0.01483571 -0.01142822 -0.00910098
-1.82460114 -17.26177355 19.81342173
0.00034939 0.00025748 -0.00082272
-0.01308824 0.00607022 0.00080560
-3.58031431 5.52454445 -6.83023858
-0.00054076 -0.00022868 -0.00007694
0.00797994 0.00021778 -0.00874217
-3.55044480 8.52072443 -6.89678581
-0.00027096 0.00066398 0.00062705
0.00500309 -0.03738736 -0.02555137
-21.06900624 28.39637942 0.04487130
-0.00057275 -0.00028658 0.00055837
-0.00240405 -0.00966500 -0.00815027
-18.97257350 29.26731331 1.67962948
-0.00057993 0.00067878 0.00025356
0.05106257 -0.00471064 0.00297778
8.93605697 2.49256290 6.00614723
0.00032530 0.00000973 0.00096842
-0.00288739 0.01778818 0.02496439
9.03810926 5.03751663 7.88925037
0.00043445 0.00003027 0.00028950
0.01293672 -0.03718680 -0.00845152
6.98271255 14.70770023 -14.85271914
0.00033248 0.00099768 0.00028139
0.02051265 0.01581078 -0.04594054
6.12925283 12.54523633 -13.23241981
0.00077016 -0.00095777 -0.00001177
0.00637597 0.03985411 0.00465777
13.22415931 5.34070733 -3.48631106
0.00021203 -0.00033082 0.00020584
0.01550633 -0.02496969 0.00057699
13.60840240 3.96869353 -1.19039478
-0.00016736 -0.00124716 -0.00051011
-0.01392605 -0.01239624 0.04410610
-5.50858325 9.59566896 0.20605701
0.00004085 0.00059518 -0.00076369
-0.00008925 0.00248776 -0.00515940
-8.04461670 11.00179725 0.24922731
-0.00022158 -0.00182355 -0.00113316
0.02231119 0.00239406 -0.00835620
4.61430025 12.71681252 2.18404595
0.00041687 0.00001034 0.00016819
-0.01330929 0.00455412 -0.00519057
7.34164739 11.86165373 2.56264935
0.00097378 -0.00033822 -0.00091542
-0.01960568 0.02557074 0.02044977
20.47737438 -12.90789354 -10.55260316
0.00139491 0.00041605 0.00005163
0.01050988 0.00053650 -0.00145242
22.10594183 -13.66543316 -12.83507717
-0.00042240 0.00037779 0.00042176
0.00949653 0.00913353 0.00894930
18.01298126 -6.17774944 2.07863564
0.00114450 0.00111963 0.00003958
-0.01761575 -0.00600023 0.00112358
16.05258160 -8.03121278 3.27867149
0.00059355 0.00048397 0.00034548
-0.00447462 -0.01251224 -0.00684545
14.08616521 8.31232096 10.77323366
0.00058212 -0.00079972 0.00021779
-0.01329254 0.01605773 0.01107376
16.48097019 6.72889379 11.19014265
0.00056586 -0.00056653 -0.00056451
0.00069296 0.00152192 0.00557513
2.74957389 -13.19271011 14.87318733
-0.00101963 0.00111717 0.00038698
-0.01435025 -0.01297806 -0.01518881
3.72635789 -12.26342850 17.21262553
-0.00054337 0.00084867 -0.00065085
-0.00114382 -0.01858969 0.01072197
-3.36334584 -2.62828340 -10.20921108
-0.00036571 -0.00091167 0.00021060
-0.00166909 0.01330065 0.00391820
-1.95635232 -0.42335970 -11.52903196
-0.00076935 -0.00032990 0.00025121
0.01498574 0.00146253 -0.00997647
14.80401597 -7.59982714 -11.35346411
-0.00008389 0.00027636 -0.00075770
0.01752800 -0.01023504 0.03163490
16.78953427 -6.94161693 -8.84075393
-0.00006472 -0.00047789 0.00006738
-0.00462124 -0.00166210 -0.01881904
7.14147874 -2.81102272 6.03486326
0.00070959 0.00010907 -0.00146228
-0.02269537 0.00766846 -0.01230608
9.94083967 -3.06209921 4.88111899
-0.00016533 -0.00105521 0.00034937
-0.00858951 -0.00406698 0.00471366
-21.70164205 1.42436258 22.75216903
0.00066605 -0.00091023 -0.00082139
0.00555886 0.00278295 0.00197649
-22.69615551 0.57501136 25.29965223
-0.00083608 -0.00008309 0.00000759
-0.00706535 -0.00422937 0.00184817
25.54703480 -2.97884998 -7.70843538
0.00026537 0.00050210 -0.00030151
-0.00653931 0.01561368 0.00664211
23.66169990 -0.57148431 -7.15267510
-0.00002171 0.00032227 0.00055081
0.00171777 -0.00882364 -0.00853426
11.21939284 -12.83108968 -8.47557871
0.00084583 -0.00039891 -0.00033635
-0.00526085 0.01012126 -0.02301043
12.57922829 -10.31481595 -9.38852604
-0.00033512 -0.00035050 0.00008804
-0.00705084 -0.02047117 -0.01440082
-5.32615727 -10.45668833 18.35768270
0.00034070 0.00007545 -0.00022787
-0.02349175 -0.00086946 0.02622876
-6.23418660 -9.74584806 15.39087270
0.00030399 -0.00035894 -0.00037226
0.02480184 -0.01173068 0.03557337
8.74892003 1.02710269 -31.71117261
0.00065804 0.00067943 -0.00015620
0.01031134 -0.00300606 0.00205353
6.42404006 2.47261047 -31.18552506
-0.00006993 0.00023182 -0.00065994
-0.00514001 0.00661884 -0.00178955
11.41418545 18.38415362 13.44502425
0.00045728 -0.00031166 -0.00083603
-0.01332043 -0.00548693 0.01120308
12.05534081 15.90244994 14.60107573
-0.00013727 -0.00124513 0.00016720
0.00507863 -0.01121895 0.00068085
30.58858798 5.48347405 -8.14997279
0.00056608 -0.00022464 0.00048057
-0.00291358 -0.00065264 0.00182261
28.88939094 7.91538577 -7.19943040
-0.00095145 -0.00022864 -0.00002730
0.04525200 -0.02716721 -0.01546775
-8.41184719 4.90696452 5.64767299
-0.00006164 -0.00016312 -0.00004261
0.00752361 0.00534315 0.00836793
-10.75984388 10.13993221 3.45072416
0.00004781 0.00003265 -0.00013654
0.00029318 -0.00462281 0.00325533
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08302562
0.31411772
418.54610958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3264662199 (a.u.)
total exchange computation time: 2.8180820942 s
-154.1542218661
-931.39385627
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3264864390 (a.u.)
total exchange computation time: 2.8164339066 s
-154.1548071200
Anderson extrapolation: theta=1.3594137879 (1.3594137879)
-931.39410455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3264277329 (a.u.)
total exchange computation time: 2.8175530434 s
-154.1561057644
Anderson extrapolation: theta=0.0565530802 (0.0565530802)
-931.39425619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3263498807 (a.u.)
total exchange computation time: 2.8166620731 s
-154.1566706365
Anderson extrapolation: theta=2.0768938951 (2.0000000000)
-931.39426295
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3261617298 (a.u.)
total exchange computation time: 2.8165819645 s
-154.1579515615
Anderson extrapolation: theta=0.2834018913 (0.2834018913)
-931.39427115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3260948936 (a.u.)
total exchange computation time: 2.8199927807 s
-154.1583340722
Anderson extrapolation: theta=1.6185994094 (1.6185994094)
-931.39427312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3259989865 (a.u.)
total exchange computation time: 2.8190219402 s
-154.1588030943
Anderson extrapolation: theta=0.3570844569 (0.3570844569)
-931.39427540
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.599 s
total exchange = -52.3259802125 (a.u.)
total exchange computation time: 2.8185229301 s
-154.1588156434
Anderson extrapolation: theta=1.1316265310 (1.1316265310)
-931.39427609
-256.248335 77.884177 -36.087442
566.215089 1066.995696 -418.955281
309.966754 1144.879873 -455.042723
1270.390960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3259723672 (a.u.)
total exchange computation time: 2.8172800541 s
678.09364679
-1082.31120832
89.90003962
-390.05515275
-174.69562958
77.52152761
551.60419304
0.00000000
-931.39427662
5.63455418 -31.19994898 -3.80048551
-0.00016762 -0.00017498 0.00019779
-0.04204807 0.00379818 0.00123321
-11.79208627 -1.01469809 -11.85532952
-0.00021054 0.00004320 0.00012714
0.00714217 -0.03230855 0.01990594
-38.01868983 2.32487505 3.39268294
0.00023511 0.00006081 -0.00024614
0.02158164 0.01247103 -0.00886274
-9.56129230 -2.79302260 2.55310161
-0.00052492 -0.00003654 -0.00019798
-0.02617507 0.03066821 0.00407934
0.66144543 -0.20450475 8.98460279
0.00035774 -0.00012645 0.00006689
0.01982229 0.01233387 -0.00191527
-32.39119220 2.75085568 1.83528349
0.00008602 -0.00004170 -0.00022199
-0.02106908 0.01315877 0.01380939
13.95713914 13.59712261 -14.33681718
0.00014281 0.00037749 -0.00016073
-0.07583130 -0.00365409 -0.00563576
-3.95913331 7.08838203 4.12243054
-0.00033209 0.00009021 -0.00034526
-0.03419329 -0.00839710 0.06781784
5.75411222 16.70424541 -8.51338434
0.00011570 0.00003324 0.00025315
0.00701763 -0.00767470 -0.02691699
6.85658725 7.13669224 -21.04372367
-0.00013794 0.00035064 -0.00005638
0.00491810 -0.01015479 0.00157867
23.51313293 17.09933347 -2.30860770
-0.00031088 0.00007422 0.00028724
0.01315068 -0.00042689 -0.00484875
1.35422622 12.84602485 -21.06716920
0.00009732 0.00027455 0.00029403
0.00839225 0.00242506 0.01992558
10.34360094 -3.62924476 -1.74335414
0.00024957 -0.00000036 0.00025380
0.03054769 0.06243233 -0.00519155
-17.93730577 -2.65464379 4.66533768
0.00020505 -0.00010153 0.00017991
0.00319796 0.01192857 -0.00642171
-15.26176134 0.12594774 18.63369711
-0.00018419 0.00005626 -0.00013482
0.00815989 -0.01094602 0.01352015
2.78751670 2.74587683 -2.93701717
-0.00011805 0.00011325 0.00019428
-0.00579891 -0.00766091 -0.01494826
23.38641964 -7.77217611 -9.59070844
0.00015695 -0.00025012 -0.00011473
0.02557788 -0.01093989 0.00995151
1.39056995 -8.00144769 6.67503788
0.00017195 0.00014515 0.00005979
0.02325878 0.01191104 0.00735261
-3.80230336 -1.22924691 -18.21683628
0.00024917 0.00044634 0.00023560
0.00002717 -0.03074350 0.02299987
3.29706858 4.26161421 -10.70706780
-0.00037522 0.00005325 0.00024204
-0.00289440 -0.00001663 -0.01847746
-2.67937229 16.88363974 13.86047329
0.00006063 -0.00018512 0.00030861
0.02379519 0.00381419 0.03285266
-2.24255425 2.05676822 -7.05393488
-0.00018500 -0.00006964 -0.00004208
0.00261086 0.01550844 -0.01607815
-6.63691190 -2.03803108 -4.39198097
-0.00015266 -0.00007208 -0.00019146
-0.05211370 0.00569984 -0.01834459
0.35062860 28.19552772 7.27241593
-0.00003452 0.00020251 -0.00000009
-0.01619362 0.01085757 -0.02215116
10.02415326 -9.11296120 -1.46077415
0.00000088 -0.00003358 -0.00007104
0.02034082 -0.01084773 0.01586341
-6.82394245 0.35376333 7.58866469
-0.00014182 0.00019833 -0.00009130
-0.01448797 0.01301127 -0.01876758
18.59722384 11.73824702 6.31976514
0.00035993 -0.00009915 0.00018072
0.03182472 0.01608364 -0.01769745
-3.25316502 -3.99519906 -23.30030926
-0.00001391 0.00016073 0.00008159
-0.02910095 0.06034124 0.02988094
-13.64915695 8.26916365 8.26935182
0.00004694 0.00014971 0.00032198
0.00782974 0.01022471 -0.00777120
-12.00411973 7.53454382 -2.59417914
-0.00039041 -0.00016830 -0.00023230
-0.00539052 -0.01498222 -0.03320082
-3.24105390 -16.24309210 20.42343249
-0.00030591 -0.00009001 0.00015666
0.02229075 -0.00185528 0.00397249
-3.19771124 6.91085491 -7.97456132
-0.00041581 -0.00000143 0.00017731
-0.01834845 0.05135890 0.03111446
-20.67387646 29.52525449 1.37989857
0.00006517 0.00011012 -0.00017128
-0.04928791 0.02453948 0.00431217
9.78623713 3.23967265 7.51687830
0.00003106 -0.00030848 -0.00018755
-0.01027000 0.02994760 -0.00802361
6.37570164 14.45708661 -13.22647893
0.00003275 0.00044797 0.00052039
-0.02416358 -0.06256778 0.03581657
14.14552706 3.80297981 -2.85519292
-0.00012641 -0.00006239 0.00017448
0.00258651 0.02845107 -0.04953848
-6.31033515 11.08084034 -0.48904268
0.00016189 -0.00016295 0.00025342
-0.02175940 0.00130670 0.01009446
6.07767696 13.15070803 3.17608668
0.00011896 0.00035142 -0.00004634
0.03913032 -0.02981344 -0.00928477
21.89986843 -12.28722871 -11.57505501
0.00001570 0.00010246 -0.00035640
-0.01297027 -0.00521258 -0.00247761
16.67507509 -6.35229154 3.35751190
-0.00001089 -0.00014386 0.00004189
0.02781966 0.03017709 -0.00625185
15.26486053 7.24710783 9.92958050
0.00007125 -0.00008417 -0.00027181
0.01776523 -0.02408882 -0.02268524
3.06880788 -13.87297529 16.52133908
-0.00017607 -0.00004185 -0.00017065
0.02000177 0.03413078 0.00079156
-3.55144387 -0.83343821 -10.75165694
0.00009327 -0.00038742 -0.00017683
-0.02218202 -0.02206379 0.00648088
15.34860423 -7.94576103 -9.51482898
0.00022871 0.00015309 0.00002314
-0.02426605 0.01014092 -0.01889980
8.82831240 -3.35650524 6.34423290
0.00049241 -0.00044655 0.00009242
0.03522065 -0.01118822 0.00800996
-21.40940332 1.61266568 24.54499752
-0.00021247 0.00001324 -0.00006982
-0.00154444 -0.00234840 -0.00881401
24.91050334 -1.71174258 -6.47643149
-0.00003508 -0.00007110 -0.00011392
0.00862985 -0.00768581 0.00006135
11.64520219 -11.82997614 -10.00767380
0.00026271 0.00000412 0.00002056
0.01116456 0.00906351 0.02715508
-4.87251408 -10.24857436 16.65091211
0.00002279 -0.00007338 -0.00014829
0.00497343 0.00261150 -0.06136344
8.10110146 2.24789738 -30.48781143
0.00030804 0.00036513 -0.00050965
-0.01319574 -0.00699280 -0.00764741
10.83723832 17.22856253 14.80454767
0.00008208 -0.00038571 -0.00015426
0.01428924 0.02134999 -0.02236690
30.68170519 7.27065692 -7.68416493
0.00002122 -0.00003253 0.00013149
-0.04401395 0.02570723 0.02746592
5.72483148 -30.10057554 -5.25648649
0.00027956 0.00022195 -0.00031981
0.00561060 0.00312566 -0.00672327
3.91877523 -30.77038138 -3.13507178
-0.00043413 -0.00056237 0.00028626
0.02535178 -0.00208687 -0.00105790
-12.34950390 -2.15470476 -13.24957677
-0.00036514 0.00100258 -0.00104279
-0.00428435 0.00154366 0.00130109
-11.69574798 0.56571085 -12.66687543
0.00033665 0.00005087 0.00029672
-0.00270273 0.03435608 -0.01492582
-37.86525652 3.70116316 2.10657330
-0.00012340 -0.00000486 0.00087772
-0.02000843 -0.01454937 0.01586376
-39.65606093 1.50562733 3.38845884
-0.00012004 0.00089738 0.00002999
-0.00251580 0.00716193 -0.00905210
-9.85405264 -3.14227236 0.77050390
0.00064291 -0.00070671 -0.00035288
-0.00781304 -0.00283494 -0.00298753
-8.11623391 -3.66795193 3.07714424
-0.00159283 0.00122735 0.00082767
0.02778352 -0.02087010 0.00688314
0.13406487 -0.28036007 7.26653050
-0.00042040 -0.00076323 -0.00087385
-0.00844425 -0.00779370 -0.01340785
1.99737655 1.06387525 8.84417293
-0.00024810 0.00012863 0.00015167
-0.00502978 -0.00648314 0.01156110
-32.06245423 1.07813984 2.44696433
-0.00083178 0.00044428 0.00045542
0.01095100 -0.02298081 -0.00298696
-34.18849924 2.88714113 2.28802372
-0.00068629 0.00099550 -0.00016334
0.01257756 0.00160630 -0.00963598
12.52407105 12.70963717 -15.32382185
0.00096491 0.00000445 -0.00022858
0.04124127 0.02362000 0.02442847
15.45954070 13.15165456 -15.14063576
-0.00018117 -0.00108688 -0.00025612
0.03347287 -0.01524545 -0.01364185
-3.91632084 8.84224802 4.67378257
-0.00032039 -0.00026291 0.00069750
0.00121925 0.00914505 -0.00134127
-3.28566586 6.89694037 2.55455636
-0.00111574 -0.00045614 -0.00052230
0.03141008 -0.00523789 -0.06218276
5.82107401 16.25368320 -10.39200569
0.00062625 -0.00080266 0.00019494
0.00348570 0.00513040 0.03449241
7.55422340 16.92750991 -8.02200258
0.00028719 -0.00011996 0.00025005
-0.00737543 -0.00105460 -0.00540469
8.01116961 7.19597908 -22.49878122
-0.00056330 -0.00013174 0.00058179
-0.00606205 0.00030542 -0.01227337
8.10012485 7.48901668 -19.76324767
-0.00053787 0.00061111 -0.00005082
0.00057428 0.00687052 0.01118787
21.84964156 17.90622159 -2.22041156
-0.00059646 0.00025462 -0.00071527
-0.00315611 -0.00424433 0.00356367
24.53300753 18.19908685 -3.37002959
-0.00002628 -0.00108545 0.00044925
-0.00464291 -0.00163724 0.00081930
1.20715646 11.11329743 -21.61277934
0.00051090 -0.00057490 0.00035600
-0.00917789 -0.00315451 -0.00799577
0.83364622 14.15614847 -22.21576755
-0.00072437 -0.00028107 0.00001413
-0.00044143 -0.00383832 -0.01246092
9.90746250 -5.28092767 -1.56510202
-0.00011782 0.00091218 -0.00021649
-0.01908256 -0.06800629 0.00573856
8.88677984 -2.58071492 -1.96543463
0.00039466 0.00076905 -0.00203802
-0.01051424 0.00202693 -0.00603625
-18.93576043 -4.08527731 5.07631607
0.00004941 0.00007942 0.00069483
-0.01368885 -0.01530701 0.00847524
-17.23948719 -3.10015226 3.04682871
0.00103869 0.00033696 -0.00009764
-0.00061557 0.00069694 -0.00487425
-15.36417065 0.06374923 16.82537144
-0.00048817 0.00039606 -0.00033673
0.00459517 -0.00000458 -0.00966709
-13.88381720 1.26473702 18.96470572
0.00080705 -0.00046421 0.00010476
-0.00090438 0.00341444 -0.00084222
3.19419813 3.48090300 -4.56423936
0.00006375 0.00027741 -0.00004945
-0.00716872 0.01244688 0.00842828
3.66638751 1.13522284 -3.21971556
-0.00096210 -0.00082247 -0.00033360
-0.00068707 0.00746611 0.01458594
22.83657239 -9.43973286 -10.24862876
-0.00033889 -0.00058418 -0.00041131
0.00815646 0.00667300 0.00216865
25.00186061 -7.90708185 -8.62176264
-0.00038054 0.00027706 0.00015865
-0.02648765 0.00204579 -0.01849311
2.18787674 -8.49056307 5.07823800
0.00041592 -0.00111670 0.00109760
-0.00241892 0.00190135 0.01297800
2.78945740 -7.56558584 7.89890507
-0.00021273 -0.00108569 0.00118377
-0.02285243 -0.01148270 -0.02440579
-4.12738408 -2.94747901 -17.46421853
0.00063203 0.00027117 0.00000987
0.01054704 0.02155066 -0.02046186
-4.83247352 -0.31045116 -16.96084441
-0.00028102 -0.00046196 0.00021886
-0.00377513 0.00488664 -0.00944356
2.23995442 4.78984425 -12.19813552
-0.00019394 -0.00011136 -0.00060660
0.00892235 -0.00601205 0.02778520
2.21992510 3.53117939 -9.43261933
0.00028244 0.00042456 0.00095965
-0.01128878 0.00644939 -0.00676441
-0.96830485 16.07114459 13.42380653
0.00072604 0.00107973 -0.00082268
-0.01962332 -0.00031842 -0.00436595
-2.41850413 17.07490761 15.72061020
-0.00009508 0.00013531 -0.00043803
-0.01319908 0.00008070 -0.02764066
-1.69288350 1.02153879 -5.72960999
0.00009321 0.00079359 -0.00014038
0.00258969 -0.01671287 0.02244505
-2.87282778 0.92493322 -8.41023238
0.00080956 0.00079953 0.00057203
-0.00482999 0.00001258 0.00634751
-8.15963673 -2.91895257 -5.18836816
0.00011125 0.00010025 0.00059948
0.03381717 0.00904015 0.02140786
-7.43704533 -0.36655925 -4.11345488
-0.00027667 0.00000798 0.00030408
0.01613766 -0.01133399 0.00096815
1.47800195 28.54333119 5.82120589
-0.00060532 -0.00069387 0.00066040
-0.01749835 -0.00436775 0.01208269
-1.42473186 28.47805048 6.56345816
0.00108798 0.00006930 0.00113737
0.03121179 -0.01074101 0.00202351
8.34232822 -9.13391441 -2.13906019
0.00041113 0.00029241 -0.00048339
-0.01452977 -0.00132491 -0.00331317
9.97708402 -10.03237965 0.16796296
0.00042964 -0.00051341 0.00028154
0.00257294 0.01389616 -0.01364825
-5.64336194 0.03532252 8.93017768
-0.00044672 0.00057774 0.00147768
0.00499365 -0.00588407 0.02245568
-8.44602620 -0.35584493 8.07192045
0.00017618 0.00059295 0.00050321
0.00760203 -0.00190188 0.00424353
19.92918630 11.35720792 7.53597808
-0.00092081 -0.00018292 0.00006470
-0.00757215 -0.00349862 0.01155428
19.60767900 12.98130746 5.33115850
-0.00029456 0.00042105 0.00080761
-0.01852115 -0.01198739 0.00852077
-3.30140996 -2.62921309 -21.92202289
0.00093680 0.00048206 -0.00142288
0.01039174 -0.03325404 -0.01974862
-4.71653534 -3.19698904 -24.24752840
-0.00073555 0.00019718 0.00040899
0.01223897 -0.02232745 -0.00691185
-12.47557617 9.22807480 9.34404498
0.00002498 0.00000359 0.00030509
-0.00603990 -0.00806414 0.00675165
-13.12132362 8.85677328 6.58963211
-0.00013442 -0.00056708 -0.00014527
-0.00327882 -0.00171964 0.00479383
-12.59224132 7.42235578 -4.40448288
0.00017740 0.00008729 -0.00045102
0.00098384 -0.00405018 0.01685849
-11.45344548 9.24628649 -2.50570410
-0.00033163 -0.00115320 -0.00031986
0.00501656 0.02050544 0.00612095
-4.74771368 -17.25232287 20.23179611
-0.00123554 -0.00104211 -0.00054179
-0.00607526 -0.00578320 -0.00813942
-1.81976134 -17.25772528 19.80110565
0.00028880 0.00028652 -0.00081625
-0.01656906 0.00814399 0.00235961
-3.58818117 5.52112097 -6.83166063
-0.00050811 -0.00022660 -0.00011236
0.00800302 0.00079770 -0.00859271
-3.55435584 8.52953841 -6.88816301
-0.00025014 0.00050617 0.00051976
0.00518856 -0.03986100 -0.02697052
-21.07767117 28.39178462 0.05299703
-0.00058190 -0.00032760 0.00052412
-0.00207390 -0.01041630 -0.00861226
-18.97970771 29.27735062 1.68352408
-0.00036086 0.00065717 0.00026672
0.05617151 -0.00586844 0.00346616
8.94084800 2.49325389 6.02143849
0.00030690 0.00007672 0.00105806
-0.00612067 0.01500561 0.01891449
9.04502245 5.03683112 7.89333387
0.00048702 -0.00012315 0.00025419
0.01279722 -0.03791057 -0.00883209
6.98832827 14.72314990 -14.84990601
0.00041271 0.00106077 0.00010315
0.01876224 0.01507214 -0.04131083
6.14100055 12.53209101 -13.23245361
0.00079749 -0.00078160 0.00000714
0.00700479 0.04638496 0.00459717
13.22781487 5.33497981 -3.48320584
0.00027268 -0.00042860 0.00020734
0.01418403 -0.02289210 0.00015672
13.60546528 3.94960632 -1.19669484
-0.00022885 -0.00129673 -0.00031763
-0.01617506 -0.01186802 0.05011242
-5.50797327 9.60467286 0.19444360
0.00004882 0.00059152 -0.00077831
0.00399193 -0.00428056 -0.00199886
-8.04725670 10.97451742 0.23197383
-0.00013161 -0.00181210 -0.00116616
0.02173146 0.00321006 -0.00779679
4.62014550 12.71710712 2.18640975
0.00035907 0.00002848 0.00014470
-0.01498719 0.00432572 -0.00630703
7.35565327 11.85736392 2.54954465
0.00088438 -0.00022420 -0.00082686
-0.02415649 0.03024527 0.02290305
20.49862010 -12.90163629 -10.55187328
0.00142682 0.00041419 0.00005350
0.00510891 -0.00144777 0.00237003
22.09989679 -13.65948640 -12.82847658
-0.00038154 0.00040897 0.00045159
0.01050498 0.00612648 0.00565576
18.02960896 -6.16113881 2.07926374
0.00106236 0.00109171 0.00005248
-0.02259168 -0.00766867 0.00518990
16.06134775 -8.02433668 3.28364399
0.00057173 0.00041944 0.00031546
-0.00620852 -0.01907657 -0.00785166
14.09448971 8.30081717 10.77683984
0.00052245 -0.00072913 0.00026683
-0.01591510 0.01849882 0.01293099
16.48947931 6.72044253 11.18184592
0.00056583 -0.00055889 -0.00054452
-0.00070500 0.00221669 0.00420722
2.73383969 -13.17635018 14.87852667
-0.00107866 0.00106186 0.00032481
-0.01454509 -0.01409814 -0.01524380
3.71817225 -12.25126813 17.20319128
-0.00054799 0.00076894 -0.00060598
-0.00111776 -0.02043696 0.01124243
-3.36888261 -2.64155092 -10.20593207
-0.00037208 -0.00085114 0.00022468
-0.00145111 0.01632902 0.00297493
-1.96743341 -0.42826339 -11.52556951
-0.00069628 -0.00032195 0.00020482
0.02078445 0.00242883 -0.01273025
14.80329473 -7.59599531 -11.36386023
-0.00001010 0.00023306 -0.00062185
0.01859394 -0.01096101 0.03486504
16.78842192 -6.94883621 -8.84031993
-0.00007887 -0.00048073 -0.00000770
-0.00230577 0.00026964 -0.01793157
7.15142712 -2.80915171 6.01255189
0.00061968 0.00013837 -0.00150939
-0.02131696 0.00667660 -0.01075372
9.93809658 -3.07805199 4.88650401
-0.00019277 -0.00107067 0.00036170
-0.00484411 -0.00350216 0.00132194
-21.69148102 1.41079439 22.73990869
0.00068978 -0.00089782 -0.00080257
0.00606080 0.00329063 0.00723971
-22.70891326 0.57363542 25.29982271
-0.00085935 -0.00009566 0.00001114
-0.00432254 -0.00192248 -0.00011208
25.55081490 -2.97084005 -7.71275456
0.00023902 0.00056421 -0.00027619
-0.00635531 0.01479177 0.00575240
23.66142694 -0.56692059 -7.14467452
-0.00001445 0.00028586 0.00051496
0.00183574 -0.00900100 -0.00901296
11.23191903 -12.83676314 -8.48132906
0.00082303 -0.00035882 -0.00042756
-0.00589980 0.00950206 -0.02163842
12.57398537 -10.32070074 -9.38764680
-0.00036006 -0.00042810 0.00003127
-0.00515528 -0.01751244 -0.01338686
-5.32176659 -10.45558321 18.35506835
0.00024369 0.00007172 -0.00011840
-0.02399507 -0.00095583 0.02735957
-6.22886679 -9.75159156 15.38637891
0.00040316 -0.00040584 -0.00022796
0.02374549 -0.01122802 0.03506124
8.75910663 1.03720209 -31.71345273
0.00070079 0.00066423 -0.00015075
0.01061532 -0.00443600 0.00061801
6.42283366 2.47629065 -31.19547893
-0.00008504 0.00025789 -0.00066550
-0.00225654 0.00614248 -0.00093192
11.42063646 18.37931054 13.43282703
0.00040093 -0.00033994 -0.00078425
-0.01426241 -0.00835255 0.01414767
12.05343732 15.88342916 14.60360458
-0.00012109 -0.00128422 0.00017009
0.00284424 -0.00791195 0.00073189
30.59698986 5.48008441 -8.14270834
0.00055372 -0.00022669 0.00048796
-0.00313343 -0.00034965 0.00179317
28.87650579 7.91112366 -7.20031394
-0.00076080 -0.00034116 -0.00009136
0.04807458 -0.02790980 -0.01588633
-8.41275158 4.90453212 5.64705634
-0.00005891 -0.00016119 -0.00003964
0.00774469 0.00539960 0.00820954
-10.75912618 10.14041392 3.44868169
0.00004786 0.00003156 -0.00013578
0.00013540 -0.00478852 0.00333953
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08338861
0.31088801
414.24268397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3304110980 (a.u.)
total exchange computation time: 2.8190219402 s
-154.1694254461
-931.39145232
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.690 s
total exchange = -52.3304202434 (a.u.)
total exchange computation time: 2.8188920021 s
-154.1703452704
Anderson extrapolation: theta=1.3498262675 (1.3498262675)
-931.39170826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3303870334 (a.u.)
total exchange computation time: 2.8191959858 s
-154.1718844448
Anderson extrapolation: theta=0.0536891603 (0.0536891603)
-931.39186261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3303448907 (a.u.)
total exchange computation time: 2.8175051212 s
-154.1722882511
Anderson extrapolation: theta=2.0016676519 (2.0000000000)
-931.39186900
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3302471360 (a.u.)
total exchange computation time: 2.8183410168 s
-154.1731525425
Anderson extrapolation: theta=0.2387683024 (0.2387683024)
-931.39187642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3302224871 (a.u.)
total exchange computation time: 2.8185179234 s
-154.1733207074
Anderson extrapolation: theta=1.8743111213 (1.8743111213)
-931.39187805
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.690 s
total exchange = -52.3301927131 (a.u.)
total exchange computation time: 2.8186230659 s
-154.1734634471
Anderson extrapolation: theta=0.2949266318 (0.2949266318)
-931.39188019
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3302000765 (a.u.)
total exchange computation time: 2.8173770905 s
-154.1733458704
Anderson extrapolation: theta=1.2909848277 (1.2909848277)
-931.39188074
-256.266267 77.852738 -36.071535
566.219637 1066.979138 -418.948135
309.953371 1144.831876 -455.019669
1270.336182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3302205649 (a.u.)
total exchange computation time: 2.8180811405 s
678.17027619
-1082.46104126
89.88765427
-389.95195740
-174.70659245
77.60276989
551.60419304
0.00000000
-931.39188122
5.63187768 -31.20255902 -3.79751395
-0.00018922 -0.00017233 0.00019745
-0.04193407 0.00651690 -0.00253150
-11.79521683 -1.01417467 -11.85334571
-0.00020703 0.00002655 0.00013676
0.00651028 -0.03244017 0.01750980
-38.01507988 2.32583525 3.38895671
0.00024605 0.00006632 -0.00024982
0.02095790 0.00897057 -0.00545287
-9.56926707 -2.79345234 2.55014772
-0.00054047 -0.00001962 -0.00019699
-0.03429674 0.03513131 -0.00023341
0.66688796 -0.20635386 8.98559868
0.00036665 -0.00012066 0.00006372
0.01484170 0.01015006 -0.01038123
-32.38998315 2.75028101 1.83200687
0.00007373 -0.00003409 -0.00021481
-0.02672482 0.01643412 0.01410951
13.95898871 13.60277085 -14.33924994
0.00010495 0.00037556 -0.00016390
-0.07135802 -0.00384968 -0.00668683
-3.96424660 7.08970279 4.11751317
-0.00034967 0.00008570 -0.00031038
-0.03417639 -0.00913128 0.06783518
5.75587477 16.70471436 -8.50969095
0.00011958 0.00002917 0.00023919
0.00805728 -0.00814159 -0.02737135
6.85453711 7.14191274 -21.04456334
-0.00013642 0.00034535 -0.00005480
0.00100915 -0.01041970 0.00459726
23.50852049 17.10044510 -2.30431780
-0.00030524 0.00007352 0.00028540
0.00876090 -0.00227962 -0.00229745
1.35571846 12.85015247 -21.06268184
0.00010148 0.00027438 0.00030373
0.00775678 -0.00308740 0.01779722
10.34746232 -3.62900935 -1.73956723
0.00026483 0.00003436 0.00025075
0.02879704 0.07260019 -0.00663903
-17.93421768 -2.65612066 4.66801162
0.00020713 -0.00009548 0.00017595
0.00487610 0.01158799 -0.00900988
-15.26449277 0.12674940 18.63172699
-0.00017924 0.00005109 -0.00012812
0.01108579 -0.00916251 0.01253092
2.78572358 2.74754609 -2.93416061
-0.00012062 0.00010878 0.00018595
-0.00419132 -0.00972798 -0.01746185
23.38887258 -7.77597010 -9.59239097
0.00016913 -0.00025619 -0.00011025
0.02178976 -0.01266574 0.00744348
1.39323890 -7.99922453 6.67596313
0.00018357 0.00015139 0.00006453
0.02192307 0.01237375 0.01107296
-3.79856578 -1.22267042 -18.21321353
0.00024931 0.00043042 0.00024727
0.00055289 -0.03116432 0.02236044
3.29142914 4.26241293 -10.70350851
-0.00037669 0.00005347 0.00023198
-0.00283435 0.00087971 -0.02065321
-2.67837099 16.88087766 13.86522909
0.00007303 -0.00018319 0.00032392
0.02439284 0.00369752 0.02672034
-2.24531924 2.05578347 -7.05462811
-0.00018334 -0.00005982 -0.00004971
0.00384597 0.02268756 -0.01358956
-6.63940288 -2.03909027 -4.39492358
-0.00017883 -0.00006845 -0.00020030
-0.04963947 0.00841977 -0.01603860
0.35004834 28.19860724 7.27232911
-0.00004210 0.00020742 -0.00000935
-0.01328436 0.00825747 -0.01384865
10.02424491 -9.11350680 -1.46177862
0.00001188 -0.00003944 -0.00006216
0.02242640 -0.01191244 0.01866884
-6.82612559 0.35678845 7.58722282
-0.00014771 0.00020484 -0.00009948
-0.00843170 0.01229280 -0.01304566
18.60274562 11.73682185 6.32240762
0.00037449 -0.00009088 0.00017086
0.02477144 0.01607478 -0.02062340
-3.25348591 -3.99255537 -23.29897020
-0.00002922 0.00019127 0.00009577
-0.03044166 0.05843975 0.02525708
-13.64842266 8.27144875 8.27415155
0.00005082 0.00015473 0.00031767
0.00725685 0.00930701 -0.00899494
-12.00999669 7.53196157 -2.59779165
-0.00039363 -0.00017772 -0.00024951
-0.00714487 -0.02166967 -0.03373326
-3.24555661 -16.24444938 20.42579776
-0.00029585 -0.00009281 0.00015809
0.01684967 -0.00902143 0.00158749
-3.20401924 6.91103159 -7.97178159
-0.00042523 0.00002533 0.00019345
-0.01827862 0.05268120 0.03161999
-20.67308898 29.52700090 1.37734593
0.00003902 0.00012304 -0.00016905
-0.05241689 0.02571681 0.00436645
9.78666340 3.23516092 7.51403416
0.00002683 -0.00029212 -0.00018983
-0.00617351 0.03367752 -0.00087188
6.37609966 14.46356489 -13.21853493
0.00002086 0.00041476 0.00053714
-0.02205113 -0.06659335 0.02931315
14.14364096 3.80215374 -2.85276674
-0.00012419 -0.00004853 0.00014823
0.00601016 0.02542127 -0.05254538
-6.30799069 11.07840114 -0.48520250
0.00014993 -0.00016065 0.00025758
-0.02474897 0.00763991 0.00608517
6.07961235 13.15586436 3.17535575
0.00014032 0.00033524 -0.00005137
0.04392175 -0.03310317 -0.01028090
21.90005390 -12.28571197 -11.58041053
0.00001016 0.00010120 -0.00035768
-0.00857322 0.00032044 -0.00250637
16.67501910 -6.35433311 3.35811615
0.00000495 -0.00012640 0.00003800
0.03375654 0.03775483 -0.00886973
15.26599785 7.24575237 9.92541578
0.00008125 -0.00009716 -0.00028347
0.02110852 -0.02643546 -0.02265813
3.06624398 -13.87347135 16.51878244
-0.00016570 -0.00002345 -0.00017047
0.02031003 0.03742645 -0.00008919
-3.55013037 -0.83933462 -10.75428441
0.00008038 -0.00039963 -0.00017266
-0.02795729 -0.02542304 0.00975454
15.35194129 -7.94342562 -9.51455485
0.00021533 0.00015785 0.00001248
-0.02776385 0.00836611 -0.02253209
8.83583444 -3.36324669 6.34565007
0.00050876 -0.00045207 0.00009711
0.02836541 -0.01028419 0.01021871
-21.41259639 1.61285520 24.54391624
-0.00021407 0.00001135 -0.00007510
-0.00466347 -0.00499235 -0.01171822
24.91001049 -1.71283879 -6.47814012
-0.00003075 -0.00007473 -0.00011351
0.00817528 -0.00643087 0.00154926
11.64918592 -11.82987937 -10.00726060
0.00026801 0.00000809 0.00003375
0.00943543 0.00636241 0.02411721
-4.87215310 -10.24966499 16.64845104
0.00002580 -0.00007228 -0.00017943
0.00675952 0.00166363 -0.05970678
8.10567113 2.25334732 -30.49548564
0.00030041 0.00036199 -0.00051337
-0.01647770 -0.00520957 -0.00682149
10.83852462 17.22285920 14.80214751
0.00009019 -0.00037498 -0.00016637
0.01725682 0.02037339 -0.02472487
30.68185371 7.27026816 -7.68208666
-0.00000182 -0.00001933 0.00014561
-0.04559497 0.02560672 0.02744996
5.72919682 -30.09715052 -5.26148965
0.00030043 0.00022878 -0.00033860
0.00460562 0.00021549 -0.00247617
3.91304017 -30.77888095 -3.13081025
-0.00032877 -0.00057022 0.00028058
0.02622220 -0.00175550 -0.00172416
-12.35511231 -2.13961871 -13.26517875
-0.00038169 0.00100868 -0.00103405
-0.00381858 0.00143927 0.00297561
-11.69078110 0.56752661 -12.66288200
0.00032631 0.00019107 0.00023725
-0.00235491 0.03427355 -0.01418361
-37.86772071 3.70064436 2.12022515
-0.00020391 -0.00005676 0.00093492
-0.01940011 -0.01085346 0.01213772
-39.65793867 1.51930749 3.38863128
-0.00013098 0.00092569 -0.00000647
-0.00283786 0.00669846 -0.00879256
-9.84464842 -3.15295992 0.76511914
0.00061078 -0.00071740 -0.00036288
-0.00791692 -0.00239423 -0.00190900
-8.13927505 -3.65018113 3.08977021
-0.00146174 0.00113214 0.00086302
0.03638872 -0.02573787 0.01042086
0.12750008 -0.29204732 7.25301196
-0.00044763 -0.00079309 -0.00090925
-0.00488402 -0.00682485 -0.00392528
1.99350097 1.06560610 8.84680220
-0.00026601 0.00010451 0.00019694
-0.00374058 -0.00532651 0.01059925
-32.07459530 1.08409984 2.45370413
-0.00078643 0.00034512 0.00044506
0.01124428 -0.02556027 -0.00208698
-34.19840821 2.90212285 2.28527838
-0.00062405 0.00100049 -0.00020530
0.01788979 0.00083412 -0.01090554
12.53980842 12.71042763 -15.32650192
0.00112663 0.00009955 -0.00012992
0.03792212 0.02293277 0.02386314
15.45784887 13.13488414 -15.14489555
-0.00004670 -0.00114730 -0.00030809
0.03235235 -0.01432658 -0.01180096
-3.92108929 8.83858458 4.68420398
-0.00031449 -0.00022567 0.00068920
0.00166879 0.00908313 -0.00272142
-3.30143940 6.88993773 2.54481637
-0.00098886 -0.00047573 -0.00077450
0.03069842 -0.00434896 -0.06127102
5.83057463 16.24180045 -10.38802457
0.00063960 -0.00078076 0.00033690
0.00304640 0.00559257 0.03499542
7.55830523 16.92567824 -8.01841745
0.00025579 -0.00012413 0.00022799
-0.00799688 -0.00098672 -0.00539323
8.00253432 7.19401237 -22.49043042
-0.00058234 -0.00013017 0.00052379
-0.00325922 0.00046419 -0.01612121
8.09207445 7.49839389 -19.76366709
-0.00053341 0.00063986 -0.00000306
0.00160908 0.00720174 0.01218714
21.84059802 17.90991084 -2.23103134
-0.00060528 0.00023535 -0.00070072
-0.00116542 -0.00518708 0.00355406
24.53247099 18.18275497 -3.36326577
-0.00004011 -0.00108650 0.00044735
-0.00212684 0.00112218 -0.00174909
1.21453868 11.10457729 -21.60768432
0.00047403 -0.00057700 0.00032708
-0.00887051 0.00212762 -0.00616168
0.82276715 14.15181478 -22.21593749
-0.00072575 -0.00029697 -0.00003614
-0.00023437 -0.00394381 -0.01214654
9.90511047 -5.26932892 -1.56817359
-0.00020069 0.00061966 -0.00019220
-0.02148137 -0.07518229 0.00615437
8.89237750 -2.56911701 -1.99618985
0.00035981 0.00077114 -0.00206117
-0.00654268 -0.00100681 -0.00529670
-18.93543876 -4.08455511 5.08699821
-0.00000441 0.00001754 0.00072715
-0.01265469 -0.01498002 0.00734790
-17.22392572 -3.09507657 3.04521473
0.00103125 0.00033971 -0.00011051
-0.00302341 0.00064976 -0.00142375
-15.37135242 0.06968991 16.82002432
-0.00046870 0.00039645 -0.00037260
0.00493527 0.00019870 -0.00789248
-13.87173921 1.25787849 18.96625133
0.00079729 -0.00045450 0.00009946
-0.00386929 0.00133767 -0.00175079
3.19493473 3.48544560 -4.56472279
0.00003402 0.00032594 -0.00001062
-0.00738382 0.01130533 0.01057646
3.65193492 1.12311450 -3.22427266
-0.00096763 -0.00078554 -0.00027345
-0.00201686 0.01061443 0.01485851
22.83173895 -9.44829105 -10.25473189
-0.00030255 -0.00055098 -0.00039970
0.00963210 0.00957797 0.00351380
24.99534078 -7.90286322 -8.61994955
-0.00048395 0.00028387 0.00008531
-0.02412988 0.00128763 -0.01740711
2.19404137 -8.50725538 5.09509962
0.00040915 -0.00111006 0.00114467
-0.00089261 0.00135208 0.01006291
2.78556611 -7.58222307 7.91591380
-0.00030637 -0.00113183 0.00108233
-0.02298137 -0.01110433 -0.02525078
-4.11758042 -2.94275106 -17.46469745
0.00067506 0.00035813 -0.00007370
0.01051709 0.02101528 -0.02044670
-4.83680445 -0.31723083 -16.95785089
-0.00029731 -0.00043978 0.00018210
-0.00419810 0.00597318 -0.00855040
2.23731872 4.78798965 -12.20638311
-0.00015612 -0.00013776 -0.00048749
0.00959336 -0.00691322 0.03052019
2.22381582 3.53774536 -9.41843188
0.00023487 0.00045102 0.00093079
-0.01199996 0.00650639 -0.00736369
-0.95801562 16.08733075 13.41133253
0.00064302 0.00107813 -0.00083787
-0.02101485 -0.00046154 -0.00307036
-2.42033475 17.07693968 15.71319277
-0.00014680 0.00013591 -0.00054140
-0.01212126 0.00021227 -0.02296155
-1.69140598 1.03293047 -5.73102792
0.00010631 0.00072047 -0.00004287
0.00382263 -0.01907912 0.02528557
-2.86083246 0.93692652 -8.40145736
0.00078455 0.00078980 0.00058741
-0.00741011 -0.00477492 0.00117718
-8.15693171 -2.91717186 -5.17872001
0.00024353 0.00013337 0.00068315
0.03093494 0.00717351 0.01955024
-7.44070083 -0.36678680 -4.10886409
-0.00020973 -0.00004018 0.00030733
0.01663035 -0.01224208 0.00062663
1.46838600 28.53278929 5.83148215
-0.00066803 -0.00070867 0.00069844
-0.01320047 -0.00287809 0.00653832
-1.40745574 28.47876086 6.58058071
0.00120122 0.00002712 0.00113988
0.02422200 -0.00990683 -0.00079553
8.34805001 -9.12956892 -2.14641264
0.00034877 0.00028598 -0.00049652
-0.01599937 -0.00181862 -0.00310988
9.98360751 -10.03965499 0.17176782
0.00043907 -0.00045353 0.00021970
0.00203921 0.01541521 -0.01662193
-5.64990979 0.04380824 8.95303098
-0.00043338 0.00055630 0.00155787
0.00153969 -0.00460999 0.01679588
-8.44315059 -0.34700896 8.07959858
0.00020230 0.00058357 0.00052030
0.00518459 -0.00268920 0.00412601
19.91514210 11.35435685 7.53730271
-0.00094139 -0.00019963 0.00012040
-0.00250087 -0.00467920 0.01570893
19.60269307 12.98725581 5.34353380
-0.00036693 0.00037455 0.00083991
-0.01690495 -0.01077395 0.00728652
-3.28703953 -2.62300122 -21.94397118
0.00097914 0.00035214 -0.00149552
0.01033195 -0.03034290 -0.01581001
-4.72719358 -3.19471554 -24.24160535
-0.00068291 0.00010381 0.00038167
0.01353137 -0.02337874 -0.00646084
-12.47538650 9.22788148 9.34882829
0.00000156 -0.00002812 0.00033232
-0.00542569 -0.00745598 0.00657631
-13.12344042 8.84821436 6.58759988
-0.00014754 -0.00057357 -0.00012306
-0.00314342 -0.00145695 0.00607982
-12.58955011 7.42354096 -4.41073155
0.00018038 0.00006997 -0.00038253
0.00047436 -0.00442762 0.01666824
-11.45826626 9.22961686 -2.51031447
-0.00030634 -0.00105510 -0.00029329
0.00736622 0.02751302 0.00688412
-4.76643292 -17.26813174 20.22341992
-0.00124337 -0.00105452 -0.00057294
0.00224311 -0.00029370 -0.00711121
-1.81593699 -17.25317789 19.78893418
0.00021508 0.00032329 -0.00080374
-0.01951810 0.00985379 0.00376370
-3.59555755 5.51774639 -6.83360929
-0.00047542 -0.00022243 -0.00014698
0.00799846 0.00124296 -0.00835595
-3.55794889 8.53590947 -6.88119313
-0.00022889 0.00033995 0.00040781
0.00520979 -0.04150288 -0.02782735
-21.08646320 28.38655144 0.06059495
-0.00058935 -0.00037099 0.00048884
-0.00157614 -0.01082613 -0.00865801
-18.98339939 29.28702828 1.68763112
-0.00012602 0.00063160 0.00028095
0.05878621 -0.00664500 0.00350074
8.94526391 2.49486451 6.03788895
0.00027432 0.00013134 0.00112127
-0.00982484 0.01173348 0.01203011
9.05271993 5.03382221 7.89687609
0.00053849 -0.00027825 0.00021768
0.01239865 -0.03801107 -0.00903941
6.99509386 14.73952328 -14.84962466
0.00048432 0.00112004 -0.00005235
0.01629271 0.01394054 -0.03480930
6.15317756 12.52178846 -13.23220568
0.00082689 -0.00058173 0.00002584
0.00738627 0.05144933 0.00455539
13.23233970 5.32784933 -3.48009101
0.00032712 -0.00051654 0.00020671
0.01246623 -0.02015754 -0.00046323
13.60153685 3.92979176 -1.19992371
-0.00029825 -0.00134460 -0.00010518
-0.01779813 -0.01156785 0.05388397
-5.50711865 9.61341442 0.18270770
0.00007382 0.00055975 -0.00077998
0.00824591 -0.01126999 0.00118109
-8.04856487 10.94743433 0.21424253
-0.00004494 -0.00179743 -0.00119655
0.02069136 0.00396804 -0.00707987
4.62507225 12.71766683 2.18838701
0.00029530 0.00004588 0.00011724
-0.01622532 0.00419312 -0.00713727
7.36817868 11.85492773 2.53784359
0.00077839 -0.00009318 -0.00072925
-0.02772666 0.03388863 0.02487727
20.52017892 -12.89546777 -10.55099815
0.00143623 0.00040395 0.00007158
-0.00050056 -0.00356685 0.00647779
22.09449555 -13.65316418 -12.82152936
-0.00033660 0.00042715 0.00046742
0.01149523 0.00277558 0.00209358
18.04485211 -6.14499816 2.08020991
0.00096116 0.00105706 0.00008074
-0.02694492 -0.00929322 0.00864325
16.06973340 -8.01862971 3.28813530
0.00054326 0.00032934 0.00028151
-0.00772740 -0.02502389 -0.00876570
14.10183882 8.29044710 10.78123851
0.00045352 -0.00064992 0.00032248
-0.01782648 0.02027580 0.01430848
16.49794521 6.71212711 11.17380702
0.00056003 -0.00054839 -0.00053018
-0.00213536 0.00292467 0.00281232
2.71721407 -13.16085427 14.88293177
-0.00113804 0.00100173 0.00026361
-0.01452395 -0.01533649 -0.01471862
3.70991810 -12.24036026 17.19444604
-0.00055262 0.00068109 -0.00055943
-0.00114553 -0.02256520 0.01154529
-3.37450831 -2.65381769 -10.20247073
-0.00037747 -0.00077917 0.00023509
-0.00118815 0.01890369 0.00211949
-1.97724070 -0.43301823 -11.52288725
-0.00060046 -0.00031023 0.00014767
0.02611918 0.00330996 -0.01524886
14.80371305 -7.59283525 -11.37211961
0.00006752 0.00018723 -0.00047441
0.01940047 -0.01147442 0.03730892
16.78716826 -6.95603896 -8.84098489
-0.00008323 -0.00047555 -0.00007885
0.00017056 0.00226797 -0.01689796
7.16006906 -2.80687152 5.98958148
0.00053736 0.00016290 -0.00154954
-0.01897803 0.00533103 -0.00890060
9.93505662 -3.09421940 4.89197006
-0.00020441 -0.00108382 0.00035961
-0.00085387 -0.00293312 -0.00234650
-21.68094855 1.39742787 22.72809204
0.00071529 -0.00088329 -0.00076294
0.00642266 0.00382441 0.01215732
-22.72193592 0.57214166 25.29998632
-0.00087134 -0.00009882 0.00000666
-0.00154763 0.00037552 -0.00207717
25.55420551 -2.96192360 -7.71672121
0.00021376 0.00062238 -0.00025502
-0.00601164 0.01368143 0.00461098
23.66126648 -0.56290851 -7.13722632
-0.00000677 0.00024885 0.00047722
0.00192274 -0.00911439 -0.00945888
11.24408364 -12.84185424 -8.48840555
0.00079744 -0.00032191 -0.00051211
-0.00662555 0.00856328 -0.01974689
12.56842650 -10.32765880 -9.38758798
-0.00037656 -0.00049235 -0.00002075
-0.00292099 -0.01394126 -0.01207784
-5.31884648 -10.45453667 18.35413077
0.00014554 0.00006796 -0.00000722
-0.02405063 -0.00088508 0.02706136
-6.22209171 -9.75802318 15.38403389
0.00049658 -0.00045017 -0.00008717
0.02198300 -0.01047382 0.03385738
8.76994380 1.04702963 -31.71569497
0.00074461 0.00064336 -0.00015101
0.01083280 -0.00577943 -0.00074764
6.42148897 2.48034729 -31.20548993
-0.00008834 0.00028195 -0.00066762
0.00063940 0.00563244 -0.00010652
11.42621339 18.37395557 13.42149686
0.00034123 -0.00037901 -0.00072147
-0.01496303 -0.01077298 0.01658190
12.05170815 15.86392348 14.60617830
-0.00011423 -0.00130934 0.00017314
0.00051077 -0.00438759 0.00076260
30.60519970 5.47667335 -8.13533399
0.00054059 -0.00022723 0.00049526
-0.00329542 0.00008579 0.00178188
28.86656694 7.90515107 -7.20217110
-0.00056080 -0.00045571 -0.00015652
0.04982471 -0.02816558 -0.01601269
-8.41361439 4.90212871 5.64648377
-0.00005609 -0.00015925 -0.00003673
0.00797694 0.00546606 0.00804079
-10.75840800 10.14087895 3.44665085
0.00004788 0.00003043 -0.00013499
-0.00002086 -0.00497032 0.00344439
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08339695
0.30848426
411.03981444
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.780 s
total exchange = -52.3357785539 (a.u.)
total exchange computation time: 2.8176491261 s
-154.1843604656
-931.39020200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.779 s
total exchange = -52.3356867420 (a.u.)
total exchange computation time: 2.8173830509 s
-154.1860271957
Anderson extrapolation: theta=1.3400263730 (1.3400263730)
-931.39046340
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1436235803
ExchangeOperator: bisection time: 1.782 s
total exchange = -52.3355005991 (a.u.)
total exchange computation time: 2.8180258274 s
-154.1886326025
Anderson extrapolation: theta=0.0499547495 (0.0499547495)
-931.39061864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.3355416536 (a.u.)
total exchange computation time: 2.7922098637 s
-154.1892534282
Anderson extrapolation: theta=-0.0870689766 (-0.0870689766)
-931.39072937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.780 s
total exchange = -52.3354979090 (a.u.)
total exchange computation time: 2.7927520275 s
-154.1895527661
Anderson extrapolation: theta=3.1489154041 (2.0000000000)
-931.39073226
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.3353874887 (a.u.)
total exchange computation time: 2.7918510437 s
-154.1902964436
Anderson extrapolation: theta=0.6949057783 (0.6949057783)
-931.39073718
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.781 s
total exchange = -52.3353087201 (a.u.)
total exchange computation time: 2.7926449776 s
-154.1907941689
Anderson extrapolation: theta=0.5282592819 (0.5282592819)
-931.39073926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3352743632 (a.u.)
total exchange computation time: 2.7935321331 s
-154.1909662000
Anderson extrapolation: theta=0.9404541474 (0.9404541474)
-931.39074011
-256.280337 77.815672 -36.050764
566.226180 1066.959171 -418.940447
309.945843 1144.774843 -454.991210
1270.272753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3352537642 (a.u.)
total exchange computation time: 2.7921578884 s
678.25596905
-1082.63102722
89.87389469
-389.83500638
-174.71931706
77.69561264
551.60419304
0.00000000
-931.39074068
5.62887768 -31.20511879 -3.79456191
-0.00021060 -0.00016833 0.00019515
-0.04121970 0.00901663 -0.00643126
-11.79829716 -1.01390150 -11.85122682
-0.00020381 0.00001016 0.00014500
0.00601170 -0.03130189 0.01455911
-38.01130825 2.32686466 3.38518843
0.00025662 0.00006988 -0.00025165
0.02012676 0.00489130 -0.00168351
-9.57750643 -2.79361106 2.54719202
-0.00055987 -0.00000060 -0.00019817
-0.04114101 0.03881280 -0.00435794
0.67244498 -0.20812467 8.98651449
0.00037297 -0.00011608 0.00005633
0.00974650 0.00767020 -0.01838701
-32.38898028 2.74983311 1.82883911
0.00005877 -0.00002498 -0.00020745
-0.03146264 0.01896383 0.01453359
13.96028778 13.60838939 -14.34173429
0.00006995 0.00037352 -0.00016768
-0.06476357 -0.00408191 -0.00798937
-3.96962355 7.09095311 4.11311912
-0.00036694 0.00008074 -0.00027625
-0.03295433 -0.01018656 0.06488065
5.75769948 16.70512050 -8.50620873
0.00012395 0.00002489 0.00022514
0.00896274 -0.00851012 -0.02726401
6.85249475 7.14705284 -21.04536754
-0.00013686 0.00033994 -0.00005161
-0.00272949 -0.01064860 0.00780368
23.50397564 17.10153915 -2.30004562
-0.00030190 0.00007187 0.00028489
0.00424868 -0.00414210 0.00030792
1.35727054 12.85425626 -21.05805719
0.00010530 0.00027147 0.00031231
0.00709864 -0.00821957 0.01557233
10.35154585 -3.62821385 -1.73583153
0.00027894 0.00007342 0.00024702
0.02608107 0.07929493 -0.00788226
-17.93109197 -2.65750813 4.67061605
0.00020995 -0.00008973 0.00017071
0.00611929 0.01074737 -0.01134352
-15.26713867 0.12748038 18.62985355
-0.00017280 0.00004680 -0.00012200
0.01396233 -0.00751796 0.01128123
2.78389812 2.74914031 -2.93143876
-0.00012244 0.00010329 0.00017639
-0.00290559 -0.01163600 -0.01970341
23.39149362 -7.77986180 -9.59401607
0.00017923 -0.00026307 -0.00010715
0.01745979 -0.01409681 0.00462860
1.39607699 -7.99690590 6.67697380
0.00019438 0.00015788 0.00007109
0.02011832 0.01286499 0.01444717
-3.79482393 -1.21633435 -18.20941827
0.00024977 0.00041443 0.00025854
0.00122097 -0.03099389 0.02147239
3.28576783 4.26321845 -10.70010855
-0.00037807 0.00005408 0.00022094
-0.00253141 0.00148379 -0.02225204
-2.67718152 16.87814412 13.87019103
0.00008566 -0.00018132 0.00033588
0.02473541 0.00354498 0.01976054
-2.24805456 2.05497374 -7.05542618
-0.00018092 -0.00004641 -0.00005573
0.00558100 0.02945864 -0.00980831
-6.64227681 -2.04008451 -4.39798992
-0.00020349 -0.00006341 -0.00020788
-0.04625209 0.01115722 -0.01345825
0.34936560 28.20175046 7.27213546
-0.00004800 0.00021095 -0.00001410
-0.00965967 0.00544835 -0.00463155
10.02450957 -9.11414431 -1.46263906
0.00002382 -0.00004576 -0.00005204
0.02401902 -0.01266857 0.02068770
-6.82837379 0.35990841 7.58568031
-0.00015048 0.00021100 -0.00010467
-0.00232776 0.01166955 -0.00714652
18.60845849 11.73552070 6.32489100
0.00038535 -0.00008270 0.00015954
0.01747775 0.01572628 -0.02339499
-3.25404166 -3.98946084 -23.29743629
-0.00004517 0.00022062 0.00010746
-0.03157922 0.05567902 0.02022789
-13.64763239 8.27380565 8.27888189
0.00005438 0.00015925 0.00031275
0.00659313 0.00827501 -0.01011870
-12.01592877 7.52921213 -2.60166439
-0.00039768 -0.00019043 -0.00026690
-0.00857609 -0.02774673 -0.03390964
-3.24992933 -16.24587626 20.42817527
-0.00028854 -0.00009911 0.00015835
0.01158458 -0.01547912 -0.00060355
-3.21046825 6.91161468 -7.96875792
-0.00043458 0.00005263 0.00020972
-0.01807108 0.05351090 0.03165874
-20.67270587 29.52894570 1.37482698
0.00001185 0.00013641 -0.00016676
-0.05321985 0.02628183 0.00453623
9.78704204 3.23090901 7.51118329
0.00002487 -0.00027388 -0.00018832
-0.00145166 0.03727413 0.00676196
6.37632756 14.46952942 -13.21036479
0.00001024 0.00037984 0.00055022
-0.01925609 -0.06920109 0.02156810
14.14180123 3.80152379 -2.85074592
-0.00012028 -0.00003636 0.00012109
0.00922958 0.02191903 -0.05299661
-6.30583716 11.07602088 -0.48131537
0.00013652 -0.00015509 0.00025968
-0.02739742 0.01399332 0.00210133
6.08188658 13.16076532 3.17454550
0.00016381 0.00031756 -0.00005689
0.04744074 -0.03567109 -0.01118876
21.90017324 -12.28419275 -11.58578539
0.00000688 0.00010287 -0.00035898
-0.00419108 0.00616657 -0.00254112
16.67522353 -6.35608341 3.35865197
0.00002360 -0.00010527 0.00003290
0.03878012 0.04440226 -0.01096959
15.26729802 7.24419297 9.92107626
0.00009276 -0.00011119 -0.00029500
0.02366656 -0.02811451 -0.02216349
3.06383677 -13.87367867 16.51622511
-0.00015526 -0.00000341 -0.00017084
0.02030702 0.04048896 -0.00137401
-3.54903256 -0.84542716 -10.75683663
0.00006467 -0.00041342 -0.00016692
-0.03311486 -0.02820063 0.01256187
15.35506417 -7.94102567 -9.51445454
0.00020016 0.00016165 0.00000010
-0.03123131 0.00643955 -0.02560356
8.84357532 -3.37006747 6.34714608
0.00052139 -0.00045706 0.00010291
0.02074064 -0.00911260 0.01234794
-21.41582543 1.61300621 24.54274455
-0.00021722 0.00000812 -0.00008177
-0.00758166 -0.00757680 -0.01423980
24.90958071 -1.71398461 -6.47983680
-0.00002669 -0.00007768 -0.00011228
0.00761543 -0.00500929 0.00323500
11.65324244 -11.82973350 -10.00666135
0.00027237 0.00001061 0.00004521
0.00753951 0.00342708 0.02045157
-4.87173996 -10.25074278 16.64552935
0.00002982 -0.00007176 -0.00020921
0.00883906 0.00035041 -0.05613068
8.11011368 2.25875708 -30.50321248
0.00029112 0.00035974 -0.00051670
-0.01962098 -0.00355010 -0.00612318
10.83994404 17.21731306 14.79955661
0.00009978 -0.00036488 -0.00017957
0.02002363 0.01891402 -0.02661811
30.68165048 7.27007694 -7.67979662
-0.00002548 -0.00000631 0.00015966
-0.04639949 0.02503269 0.02719186
5.73384443 -30.09371228 -5.26664456
0.00031711 0.00022384 -0.00034026
0.00355941 -0.00263138 0.00166458
3.90891216 -30.78748810 -3.12665439
-0.00022121 -0.00057640 0.00027268
0.02643065 -0.00126852 -0.00214162
-12.36095473 -2.12444445 -13.28059836
-0.00039631 0.00101430 -0.00101849
-0.00333565 0.00131274 0.00464068
-11.68595855 0.57144287 -12.65975782
0.00031716 0.00032815 0.00018212
-0.00212421 0.03283180 -0.01280276
-37.87137385 3.69946039 2.13462088
-0.00028159 -0.00009230 0.00097598
-0.01862617 -0.00654214 0.00796205
-39.65999032 1.53339817 3.38826486
-0.00014296 0.00095212 -0.00004171
-0.00302688 0.00623663 -0.00846049
-9.83572939 -3.16379421 0.75961739
0.00057828 -0.00072622 -0.00036816
-0.00799178 -0.00192744 -0.00067287
-8.16008607 -3.63398771 3.10303483
-0.00129843 0.00101892 0.00091211
0.04355364 -0.02968537 0.01361151
0.12063598 -0.30415284 7.23925285
-0.00046040 -0.00081878 -0.00090680
-0.00136650 -0.00574885 0.00512806
1.98939615 1.06701051 8.85008105
-0.00027827 0.00008559 0.00023816
-0.00225839 -0.00393614 0.00957778
-32.08604725 1.08849336 2.46031603
-0.00074036 0.00023713 0.00043777
0.01130998 -0.02730111 -0.00148001
-34.20722078 2.91715569 2.28186468
-0.00054167 0.00100228 -0.00025203
0.02243408 0.00004303 -0.01196765
12.55786989 12.71262357 -15.32771952
0.00127284 0.00019069 -0.00003485
0.03364957 0.02168020 0.02267658
15.45813978 13.11723569 -15.14987858
0.00008019 -0.00120280 -0.00035082
0.02975766 -0.01284523 -0.00911219
-3.92575546 8.83547781 4.69445860
-0.00030678 -0.00018912 0.00067517
0.00210575 0.00881044 -0.00414705
-3.31533154 6.88266856 2.53132131
-0.00086761 -0.00049082 -0.00101627
0.02865124 -0.00304110 -0.05707464
5.84026196 16.23026044 -10.38189873
0.00065110 -0.00075731 0.00047939
0.00258492 0.00588792 0.03475303
7.56189697 16.92378610 -8.01516284
0.00022226 -0.00012793 0.00020615
-0.00841197 -0.00087642 -0.00529653
7.99369928 7.19207411 -22.48306763
-0.00058993 -0.00012801 0.00045037
-0.00045544 0.00059043 -0.01981602
8.08412267 7.50821246 -19.76333962
-0.00052511 0.00066986 0.00004812
0.00244952 0.00748147 0.01286988
21.83148305 17.91328220 -2.24143329
-0.00060590 0.00021221 -0.00068620
0.00086197 -0.00614243 0.00355599
24.53180410 18.16649185 -3.35660915
-0.00004347 -0.00107625 0.00043478
0.00048549 0.00389328 -0.00440392
1.22137726 11.09598755 -21.60296693
0.00043836 -0.00055798 0.00030556
-0.00858963 0.00718159 -0.00437398
0.81187372 14.14723938 -22.21685185
-0.00072608 -0.00031362 -0.00008470
0.00007169 -0.00420884 -0.01162335
9.90144193 -5.26233781 -1.57086799
-0.00029125 0.00030578 -0.00016709
-0.02284985 -0.07846305 0.00613656
8.89757418 -2.55758079 -2.02726970
0.00034137 0.00076055 -0.00208084
-0.00248223 -0.00417362 -0.00433346
-18.93589265 -4.08475098 5.09813067
-0.00005307 -0.00004175 0.00075449
-0.01116673 -0.01404622 0.00603382
-17.20854955 -3.08996106 3.04351349
0.00101399 0.00034215 -0.00010952
-0.00542705 0.00054695 0.00190771
-15.37823173 0.07564278 16.81419350
-0.00044781 0.00039767 -0.00040064
0.00529212 0.00039929 -0.00583303
-13.85989836 1.25110193 18.96768965
0.00077559 -0.00045301 0.00009052
-0.00675351 -0.00060880 -0.00262667
3.19521879 3.49068107 -4.56455803
0.00000355 0.00036987 0.00003651
-0.00753066 0.01019930 0.01249458
3.63735872 1.11165669 -3.22791914
-0.00097813 -0.00073627 -0.00021241
-0.00312340 0.01350281 0.01502442
22.82749583 -9.45626224 -10.26061968
-0.00026040 -0.00050658 -0.00038286
0.01100054 0.01215780 0.00472689
24.98734212 -7.89856567 -8.61920328
-0.00057620 0.00028750 0.00001741
-0.02102908 0.00048622 -0.01583159
2.20015129 -8.52386483 5.11257797
0.00040873 -0.00110597 0.00117950
0.00068767 0.00064837 0.00698798
2.78026639 -7.59954085 7.93137500
-0.00039944 -0.00117605 0.00097859
-0.02258039 -0.01053801 -0.02553178
-4.10713220 -2.93673516 -17.46642948
0.00071771 0.00044154 -0.00015650
0.01035962 0.01981770 -0.02008559
-4.84139268 -0.32364443 -16.95538138
-0.00031531 -0.00041330 0.00014901
-0.00461547 0.00698502 -0.00764912
2.23527096 4.78571137 -12.21276022
-0.00011631 -0.00016731 -0.00035856
0.00989283 -0.00754799 0.03259061
2.22697111 3.54471008 -9.40469572
0.00018462 0.00047776 0.00089948
-0.01259428 0.00658019 -0.00795901
-0.94901432 16.10348862 13.39867037
0.00055472 0.00107580 -0.00084773
-0.02220697 -0.00068266 -0.00175607
-2.42290824 17.07898476 15.70436811
-0.00019379 0.00013730 -0.00062369
-0.01088094 0.00047215 -0.01732051
-1.68969419 1.04315286 -5.73089620
0.00012364 0.00063932 0.00006421
0.00466195 -0.02064218 0.02713506
-2.84929128 0.94862718 -8.39261019
0.00074883 0.00075986 0.00058077
-0.01007594 -0.00987923 -0.00442713
-8.15233080 -2.91495152 -5.16787371
0.00036227 0.00015792 0.00075839
0.02718799 0.00484529 0.01727876
-7.44333712 -0.36776463 -4.10423489
-0.00014129 -0.00009111 0.00030932
0.01686880 -0.01268680 0.00034509
1.45796104 28.52207101 5.84215911
-0.00071208 -0.00071728 0.00071255
-0.00835978 -0.00133699 0.00036926
-1.38869515 28.47886409 6.59765450
0.00128316 -0.00001118 0.00113011
0.01588463 -0.00884267 -0.00398421
8.35279126 -9.12533488 -2.15395568
0.00028154 0.00027756 -0.00050843
-0.01691001 -0.00230659 -0.00272061
9.99025598 -10.04598559 0.17455399
0.00044626 -0.00038815 0.00014708
0.00148344 0.01658718 -0.01892520
-5.65636327 0.05201144 8.97691364
-0.00043407 0.00053997 0.00161439
-0.00187850 -0.00338001 0.01087480
-8.43995722 -0.33833780 8.08752959
0.00021833 0.00057090 0.00053694
0.00266119 -0.00351443 0.00401780
19.90094463 11.35121901 7.53959008
-0.00094131 -0.00022117 0.00019318
0.00254133 -0.00586461 0.01991714
19.59667110 12.99254386 5.35635567
-0.00043195 0.00033391 0.00086658
-0.01492117 -0.00911746 0.00577070
-3.27203588 -2.61864896 -21.96688841
0.00102123 0.00023588 -0.00155081
0.01027456 -0.02656384 -0.01125577
-4.73702252 -3.19387483 -24.23607827
-0.00062559 0.00000668 0.00035597
0.01452427 -0.02416622 -0.00612033
-12.47552935 9.22723121 9.35401465
-0.00001923 -0.00005719 0.00035882
-0.00475311 -0.00677423 0.00639557
-13.12574988 8.83956614 6.58594027
-0.00015994 -0.00057880 -0.00009590
-0.00292499 -0.00110211 0.00721387
-12.58682984 7.42445479 -4.41595869
0.00018109 0.00005115 -0.00031565
-0.00013010 -0.00478544 0.01606796
-11.46263560 9.21463340 -2.51450294
-0.00027180 -0.00093005 -0.00026375
0.00954084 0.03370017 0.00758032
-4.78501468 -17.28395862 20.21460790
-0.00121868 -0.00104522 -0.00059984
0.00984098 0.00484967 -0.00605518
-1.81330884 -17.24802661 19.77699337
0.00013047 0.00036630 -0.00078587
-0.02190268 0.01120197 0.00498577
-3.60244374 5.51444797 -6.83607006
-0.00044281 -0.00021672 -0.00018045
0.00796282 0.00155177 -0.00802823
-3.56122266 8.53973698 -6.87592868
-0.00020787 0.00016863 0.00029345
0.00508254 -0.04236139 -0.02815214
-21.09535182 28.38065477 0.06766226
-0.00059444 -0.00041535 0.00045421
-0.00091253 -0.01088501 -0.00829426
-18.98348828 29.29629870 1.69195270
0.00011395 0.00060366 0.00029425
0.05868052 -0.00703204 0.00300686
8.94907769 2.49719423 6.05507669
0.00022574 0.00017174 0.00115493
-0.01395912 0.00803831 0.00444577
9.06117727 5.02848375 7.89986431
0.00058783 -0.00043248 0.00018069
0.01175122 -0.03748971 -0.00906998
7.00285797 14.75675103 -14.85147665
0.00054474 0.00117401 -0.00017847
0.01327991 0.01248086 -0.02692688
6.16580726 12.51463903 -13.23167856
0.00085741 -0.00036398 0.00004440
0.00755417 0.05514297 0.00453127
13.23762855 5.31948348 -3.47700457
0.00037366 -0.00059195 0.00020317
0.01031240 -0.01675590 -0.00127000
13.59651765 3.90926824 -1.19985023
-0.00037275 -0.00139162 0.00011737
-0.01866914 -0.01144586 0.05505702
-5.50575866 9.62146529 0.17104417
0.00011620 0.00049961 -0.00076894
0.01249906 -0.01816570 0.00422595
-8.04860494 10.92059442 0.19607732
0.00003656 -0.00177984 -0.00122371
0.01920309 0.00464204 -0.00621672
4.62900461 12.71848352 2.18992686
0.00022749 0.00006300 0.00008705
-0.01697193 0.00418532 -0.00763791
7.37900484 11.85456845 2.52766716
0.00065970 0.00005075 -0.00062453
-0.03036936 0.03656638 0.02638303
20.54170706 -12.88951785 -10.54972602
0.00142272 0.00038493 0.00010673
-0.00611393 -0.00574439 0.01073209
22.08979882 -13.64667186 -12.81445383
-0.00028767 0.00043109 0.00046832
0.01245562 -0.00084797 -0.00165636
18.05844390 -6.12942706 2.08168579
0.00084362 0.00101594 0.00012176
-0.03059511 -0.01083435 0.01143855
16.07764546 -8.01445636 3.29208939
0.00050927 0.00021696 0.00024404
-0.00890989 -0.02998848 -0.00957939
14.10809543 8.28131966 10.78651410
0.00037847 -0.00056499 0.00038254
-0.01891082 0.02129575 0.01509565
16.50628025 6.70399094 11.16594048
0.00054843 -0.00053502 -0.00052148
-0.00354403 0.00362034 0.00144626
2.69969834 -13.14629827 14.88643483
-0.00119696 0.00093638 0.00020548
-0.01431735 -0.01665181 -0.01373335
3.70159375 -12.23083532 17.18640836
-0.00055702 0.00058541 -0.00051152
-0.00101184 -0.02427053 0.01190756
-3.38020683 -2.66492593 -10.19887950
-0.00038172 -0.00069767 0.00024220
-0.00088907 0.02099093 0.00136238
-1.98544724 -0.43757022 -11.52113954
-0.00048440 -0.00029525 0.00008098
0.03069186 0.00402409 -0.01739263
14.80532034 -7.59037841 -11.37809247
0.00014793 0.00013972 -0.00031849
0.01996107 -0.01178006 0.03901253
16.78592505 -6.96310271 -8.84268545
-0.00007726 -0.00046216 -0.00014556
0.00275341 0.00428808 -0.01575513
7.16754790 -2.80426461 5.96606558
0.00046617 0.00018132 -0.00158154
-0.01586890 0.00368627 -0.00676018
9.93196432 -3.11056658 4.89729229
-0.00019946 -0.00109469 0.00034220
0.00327423 -0.00238736 -0.00617778
-21.67002245 1.38429573 22.71702047
0.00074196 -0.00086656 -0.00070422
0.00663425 0.00436463 0.01658923
-22.73505343 0.57067092 25.30002263
-0.00087213 -0.00009276 -0.00000571
0.00116043 0.00258762 -0.00398050
25.55722769 -2.95216866 -7.72040526
0.00019021 0.00067548 -0.00023899
-0.00551642 0.01231002 0.00323612
23.66122387 -0.55945501 -7.13035782
0.00000119 0.00021151 0.00043773
0.00197307 -0.00916362 -0.00987355
11.25584220 -12.84642054 -8.49669226
0.00076873 -0.00028947 -0.00058793
-0.00742821 0.00731561 -0.01737015
12.56268861 -10.33547127 -9.38826936
-0.00038330 -0.00054086 -0.00006686
-0.00037753 -0.00980628 -0.01049439
-5.31740035 -10.45354437 18.35485168
0.00004804 0.00006479 0.00009987
-0.02367634 -0.00066617 0.02536338
-6.21396938 -9.76509670 15.38376386
0.00058135 -0.00049092 0.00004727
0.01951057 -0.00947208 0.03195188
8.78144488 1.05650297 -31.71798304
0.00078909 0.00061728 -0.00015661
0.01094276 -0.00699038 -0.00199209
6.42018346 2.48474911 -31.21550745
-0.00007998 0.00030388 -0.00066650
0.00345358 0.00510093 0.00065097
11.43087328 18.36794036 13.41118293
0.00027917 -0.00042701 -0.00064985
-0.01541479 -0.01272516 0.01847531
12.05001028 15.84414891 14.60879874
-0.00011692 -0.00131987 0.00017626
-0.00182304 -0.00076666 0.00076325
30.61320757 5.47326754 -8.12785044
0.00052691 -0.00022575 0.00050255
-0.00340131 0.00063773 0.00178476
28.85968166 7.89745232 -7.20500961
-0.00035571 -0.00057036 -0.00022167
0.05057220 -0.02795661 -0.01587705
-8.41443437 4.89975464 5.64595436
-0.00005319 -0.00015728 -0.00003388
0.00822967 0.00555475 0.00787914
-10.75768990 10.14132667 3.44463200
0.00004786 0.00002925 -0.00013418
-0.00014823 -0.00515598 0.00352655
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08352370
0.30721699
409.35123154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3415062373 (a.u.)
total exchange computation time: 2.7911269665 s
-154.2034580084
-931.39033061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.871 s
total exchange = -52.3413519593 (a.u.)
total exchange computation time: 2.7915449142 s
-154.2056522159
Anderson extrapolation: theta=1.3363796529 (1.3363796529)
-931.39059243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3410858410 (a.u.)
total exchange computation time: 2.7901108265 s
-154.2089198366
Anderson extrapolation: theta=0.0521075373 (0.0521075373)
-931.39074837
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.871 s
total exchange = -52.3410201260 (a.u.)
total exchange computation time: 2.7904679775 s
-154.2094421185
Anderson extrapolation: theta=1.9722409704 (1.9722409704)
-931.39075459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.872 s
total exchange = -52.3408716635 (a.u.)
total exchange computation time: 2.7933499813 s
-154.2105448264
Anderson extrapolation: theta=0.2345161709 (0.2345161709)
-931.39076155
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3408318473 (a.u.)
total exchange computation time: 2.7926888466 s
-154.2107760566
Anderson extrapolation: theta=1.8574520169 (1.8574520169)
-931.39076301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.871 s
total exchange = -52.3407739632 (a.u.)
total exchange computation time: 2.7906730175 s
-154.2110328353
Anderson extrapolation: theta=0.2820226577 (0.2820226577)
-931.39076493
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.871 s
total exchange = -52.3407741734 (a.u.)
total exchange computation time: 2.7934510708 s
-154.2109425226
Anderson extrapolation: theta=1.2561742146 (1.2561742146)
-931.39076542
-256.289494 77.771584 -36.025620
566.234951 1066.935921 -418.931797
309.945457 1144.707504 -454.957416
1270.199869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1439264467
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3407866174 (a.u.)
total exchange computation time: 2.7922499180 s
678.35070100
-1082.81737398
89.85824884
-389.70797256
-174.73358253
77.79655192
551.60419304
0.00000000
-931.39076584
5.62555968 -31.20760900 -3.79165950
-0.00023136 -0.00016315 0.00019084
-0.03949380 0.01115544 -0.01031853
-11.80133111 -1.01386983 -11.84899560
-0.00020082 -0.00000525 0.00015156
0.00559963 -0.02863542 0.01094570
-38.00738135 2.32793180 3.38140715
0.00026666 0.00007119 -0.00025145
0.01891987 0.00018645 0.00245526
-9.58606317 -2.79347035 2.54420271
-0.00058220 0.00001993 -0.00020132
-0.04570313 0.04100447 -0.00792230
0.67807719 -0.20983631 8.98728845
0.00037664 -0.00011286 0.00004503
0.00450332 0.00485479 -0.02554565
-32.38822013 2.74953152 1.82578346
0.00004168 -0.00001486 -0.00019986
-0.03497888 0.02041991 0.01497244
13.96108721 13.61397643 -14.34428027
0.00003901 0.00037137 -0.00017213
-0.05554093 -0.00426809 -0.00931598
-3.97525474 7.09212485 4.10922561
-0.00038322 0.00007517 -0.00024451
-0.03034213 -0.01144487 0.05854714
5.75959333 16.70546098 -8.50293684
0.00012873 0.00002047 0.00021136
0.00962306 -0.00867784 -0.02631153
6.85043134 7.15211080 -21.04611154
-0.00013914 0.00033445 -0.00004676
-0.00612529 -0.01069894 0.01103646
23.49946357 17.10260124 -2.29577106
-0.00030088 0.00006928 0.00028571
-0.00029078 -0.00592678 0.00288356
1.35887738 12.85829665 -21.05331240
0.00010875 0.00026607 0.00031969
0.00634564 -0.01279071 0.01310778
10.35583058 -3.62680661 -1.73215664
0.00029131 0.00011468 0.00024272
0.02200664 0.08114137 -0.00882010
-17.92791905 -2.65881269 4.67313297
0.00021329 -0.00008457 0.00016439
0.00686925 0.00935020 -0.01323814
-15.26967687 0.12815336 18.62806714
-0.00016495 0.00004333 -0.00011660
0.01658786 -0.00597708 0.00969420
2.78205024 2.75064475 -2.92886892
-0.00012368 0.00009690 0.00016581
-0.00189669 -0.01322183 -0.02142201
23.39424936 -7.78386225 -9.59560547
0.00018691 -0.00027057 -0.00010559
0.01240851 -0.01505418 0.00142985
1.39907028 -7.99448803 6.67809593
0.00020409 0.00016459 0.00007924
0.01763506 0.01322518 0.01723880
-3.79107266 -1.21023738 -18.20545737
0.00025059 0.00039878 0.00026923
0.00198269 -0.02989282 0.02011130
3.28008700 4.26403541 -10.69688025
-0.00037922 0.00005493 0.00020930
-0.00191984 0.00179738 -0.02301715
-2.67580122 16.87543792 13.87530542
0.00009833 -0.00017956 0.00034398
0.02454700 0.00331523 0.01173299
-2.25074682 2.05439128 -7.05629992
-0.00017748 -0.00002974 -0.00005943
0.00778268 0.03537071 -0.00457845
-6.64550756 -2.04099267 -4.40116009
-0.00022603 -0.00005699 -0.00021404
-0.04140613 0.01383207 -0.01047344
0.34860833 28.20493571 7.27190608
-0.00005178 0.00021296 -0.00001387
-0.00505618 0.00238102 0.00554696
10.02495953 -9.11487954 -1.46333990
0.00003638 -0.00005237 -0.00004115
0.02481525 -0.01302793 0.02166873
-6.83063994 0.36311840 7.58408267
-0.00015014 0.00021683 -0.00010679
0.00366097 0.01101246 -0.00110171
18.61430621 11.73434087 6.32719390
0.00039240 -0.00007485 0.00014693
0.00990884 0.01478885 -0.02564442
-3.25484103 -3.98593676 -23.29574633
-0.00006158 0.00024816 0.00011640
-0.03221343 0.05140109 0.01454600
-13.64679125 8.27622639 8.28353416
0.00005755 0.00016321 0.00030732
0.00574456 0.00709804 -0.01102204
-12.02192702 7.52624864 -2.60579874
-0.00040234 -0.00020592 -0.00028419
-0.00953648 -0.03246751 -0.03333043
-3.25421268 -16.24742256 20.43054813
-0.00028389 -0.00010849 0.00015753
0.00647515 -0.02100582 -0.00257911
-3.21705667 6.91261060 -7.96549001
-0.00044373 0.00008011 0.00022580
-0.01751156 0.05332654 0.03087984
-20.67273334 29.53109326 1.37234302
-0.00001495 0.00014985 -0.00016436
-0.05103027 0.02595479 0.00482893
9.78740948 3.22694465 7.50838459
0.00002550 -0.00025394 -0.00018280
0.00389403 0.04026594 0.01470409
6.37640691 14.47496009 -13.20202826
0.00000124 0.00034409 0.00055905
-0.01574326 -0.06982153 0.01275645
14.14003270 3.80106294 -2.84913396
-0.00011485 -0.00002613 0.00009456
0.01188600 0.01785429 -0.05017785
-6.30389500 11.07374857 -0.47741204
0.00012195 -0.00014635 0.00025977
-0.02927577 0.01997658 -0.00177138
6.08452680 13.16539108 3.17364894
0.00018868 0.00029880 -0.00006285
0.04926637 -0.03727108 -0.01196664
21.90026024 -12.28262595 -11.59117985
0.00000581 0.00010757 -0.00036027
0.00005259 0.01213545 -0.00249023
16.67572713 -6.35749115 3.35910316
0.00004447 -0.00008116 0.00002688
0.04236297 0.04936403 -0.01244232
15.26878077 7.24241668 9.91656576
0.00010530 -0.00012581 -0.00030608
0.02509554 -0.02875782 -0.02091740
3.06158621 -13.87357364 16.51365718
-0.00014495 0.00001802 -0.00017199
0.01978222 0.04286306 -0.00309049
-3.54819021 -0.85173725 -10.75929193
0.00004662 -0.00042838 -0.00015991
-0.03706992 -0.02997424 0.01469990
15.35794611 -7.93857605 -9.51455176
0.00018330 0.00016442 -0.00001365
-0.03434204 0.00431218 -0.02788348
8.85147620 -3.37695856 6.34873734
0.00052991 -0.00046135 0.00010973
0.01236914 -0.00755554 0.01419086
-21.41911296 1.61309877 24.54146301
-0.00022178 0.00000360 -0.00008960
-0.01016068 -0.00997771 -0.01620921
24.90920967 -1.71516908 -6.48150852
-0.00002296 -0.00007984 -0.00011014
0.00689337 -0.00339590 0.00510483
11.65735713 -11.82956120 -10.00590432
0.00027570 0.00001155 0.00005457
0.00539809 0.00023010 0.01594867
-4.87125863 -10.25181787 16.64217463
0.00003496 -0.00007201 -0.00023653
0.01117378 -0.00131780 -0.05008018
8.11440485 2.26413945 -30.51098656
0.00028033 0.00035830 -0.00051968
-0.02237104 -0.00204596 -0.00548616
10.84151794 17.21191282 14.79676035
0.00011067 -0.00035568 -0.00019355
0.02232773 0.01684008 -0.02774969
30.68108929 7.27007884 -7.67729680
-0.00004923 0.00000624 0.00017346
-0.04595895 0.02377685 0.02645186
5.73871017 -30.09043531 -5.27169745
0.00032947 0.00020760 -0.00032548
0.00248998 -0.00531892 0.00556942
3.90640399 -30.79617299 -3.12262978
-0.00011415 -0.00058031 0.00026358
0.02597560 -0.00064705 -0.00231552
-12.36700159 -2.10918974 -13.29573356
-0.00040893 0.00101935 -0.00099619
-0.00284218 0.00115794 0.00627505
-11.68126618 0.57737126 -12.65741829
0.00030869 0.00045681 0.00013378
-0.00202153 0.03014567 -0.01086237
-37.87616852 3.69787548 2.14950457
-0.00035580 -0.00010908 0.00099923
-0.01769600 -0.00167472 0.00342038
-39.66222748 1.54787107 3.38737993
-0.00015543 0.00097664 -0.00007544
-0.00307561 0.00576457 -0.00804821
-9.82730015 -3.17474663 0.75407440
0.00054551 -0.00073311 -0.00036815
-0.00804478 -0.00144503 0.00067623
-8.17822786 -3.61961360 3.11713364
-0.00110998 0.00089209 0.00097290
0.04869049 -0.03239775 0.01614250
0.11368812 -0.31661068 7.22580803
-0.00045910 -0.00083991 -0.00086883
0.00200173 -0.00459353 0.01345493
1.98515292 1.06817369 8.85394690
-0.00028418 0.00007273 0.00027512
-0.00063615 -0.00235835 0.00851519
-32.09680606 1.09121369 2.46683722
-0.00069447 0.00012391 0.00043227
0.01115227 -0.02812114 -0.00121220
-34.21465845 2.93219116 2.27771753
-0.00044239 0.00100084 -0.00030264
0.02616887 -0.00074421 -0.01280920
12.57799361 12.71614820 -15.32754735
0.00139968 0.00027549 0.00005405
0.02843832 0.01983412 0.02083749
15.46025443 13.09880001 -15.15542006
0.00019401 -0.00125117 -0.00038115
0.02596064 -0.01082931 -0.00573776
-3.93029257 8.83291100 4.70445907
-0.00029732 -0.00015407 0.00065525
0.00252542 0.00834863 -0.00560247
-3.32746777 6.87521302 2.51432837
-0.00075697 -0.00049978 -0.00123500
0.02550677 -0.00134347 -0.04999767
5.85010772 16.21908128 -10.37364300
0.00066069 -0.00073301 0.00061939
0.00210765 0.00600479 0.03377799
7.56497317 16.92184025 -8.01223284
0.00018748 -0.00013120 0.00018490
-0.00861372 -0.00072280 -0.00510628
7.98483633 7.19017204 -22.47691928
-0.00058625 -0.00012538 0.00036243
0.00225688 0.00069950 -0.02323016
8.07632100 7.51848954 -19.76222339
-0.00051383 0.00070087 0.00010135
0.00307326 0.00769867 0.01318675
21.82242092 17.91627711 -2.25161732
-0.00059829 0.00018521 -0.00067164
0.00286297 -0.00707378 0.00357043
24.53116697 18.15046734 -3.35022243
-0.00003616 -0.00105487 0.00041139
0.00309045 0.00657365 -0.00704613
1.22768941 11.08783793 -21.59851760
0.00040378 -0.00051910 0.00029115
-0.00833606 0.01184927 -0.00267608
0.80098468 14.14240605 -22.21847855
-0.00072495 -0.00033166 -0.00013069
0.00048240 -0.00462101 -0.01088652
9.89637301 -5.26015540 -1.57318630
-0.00038494 -0.00001278 -0.00014292
-0.02301214 -0.07747695 0.00569303
8.90261874 -2.54630036 -2.05861512
0.00033938 0.00073701 -0.00209617
0.00150567 -0.00735219 -0.00317095
-18.93703091 -4.08580769 5.10963292
-0.00009483 -0.00009614 0.00077613
-0.00927631 -0.01257726 0.00455759
-17.19350598 -3.08481202 3.04192917
0.00098704 0.00034403 -0.00009538
-0.00776657 0.00037427 0.00501335
-15.38478671 0.08162011 16.80800520
-0.00042545 0.00039969 -0.00041985
0.00565167 0.00058770 -0.00357194
-13.84847140 1.24428806 18.96896699
0.00074244 -0.00045911 0.00007812
-0.00947642 -0.00237437 -0.00344406
3.19504133 3.49654161 -4.56362753
-0.00002734 0.00040941 0.00009088
-0.00759378 0.00915722 0.01411849
3.62259110 1.10102641 -3.23064482
-0.00099265 -0.00067587 -0.00015093
-0.00398713 0.01606471 0.01506701
22.82392688 -9.46348832 -10.26621777
-0.00021292 -0.00045241 -0.00036138
0.01224026 0.01435857 0.00578756
24.97805467 -7.89423832 -8.61942726
-0.00065435 0.00028778 -0.00004309
-0.01722576 -0.00034516 -0.01378229
2.20630336 -8.54043454 5.13048459
0.00041476 -0.00110501 0.00120165
0.00226347 -0.00017856 0.00385387
2.77358279 -7.61750445 7.94527145
-0.00048984 -0.00121760 0.00087487
-0.02166939 -0.00980242 -0.02523810
-4.09604908 -2.92950472 -17.46939248
0.00075946 0.00051874 -0.00023714
0.01007780 0.01797092 -0.01938964
-4.84626376 -0.32962995 -16.95338067
-0.00033496 -0.00038289 0.00011957
-0.00500399 0.00790275 -0.00676049
2.23382950 4.78297050 -12.21713998
-0.00007600 -0.00019890 -0.00022255
0.00983748 -0.00791694 0.03398610
2.22935454 3.55207808 -9.39144733
0.00013219 0.00050482 0.00086578
-0.01307107 0.00666787 -0.00853753
-0.94137399 16.11960466 13.38590058
0.00046200 0.00107241 -0.00085220
-0.02318218 -0.00097720 -0.00043212
-2.42614857 17.08105878 15.69448195
-0.00023541 0.00014002 -0.00068112
-0.00948986 0.00085690 -0.01079052
-1.68769668 1.05211017 -5.72910147
0.00014348 0.00055356 0.00017658
0.00504726 -0.02134187 0.02786673
-2.83836761 0.95972238 -8.38403435
0.00070221 0.00070873 0.00055073
-0.01274292 -0.01515258 -0.01027411
-8.14606365 -2.91243423 -5.15596845
0.00046391 0.00017202 0.00082353
0.02256708 0.00205480 0.01460770
-7.44493959 -0.36951998 -4.09958455
-0.00007242 -0.00014291 0.00031028
0.01684494 -0.01266917 0.00012564
1.44702375 28.51127079 5.85285871
-0.00073546 -0.00071959 0.00070047
-0.00308721 0.00021022 -0.00628426
-1.36896106 28.47842539 6.61448412
0.00132833 -0.00004468 0.00110660
0.00622711 -0.00755248 -0.00752638
8.35649615 -9.12124221 -2.16166546
0.00021181 0.00026713 -0.00051833
-0.01722250 -0.00279704 -0.00212748
9.99699536 -10.05129962 0.17618031
0.00045117 -0.00031874 0.00006643
0.00091717 0.01739319 -0.02055300
-5.66293187 0.06000749 9.00146277
-0.00044830 0.00052850 0.00164662
-0.00508624 -0.00223627 0.00490076
-8.43660077 -0.32988202 8.09570683
0.00022402 0.00055485 0.00055311
0.00012443 -0.00434116 0.00389766
19.88690291 11.34772176 7.54309809
-0.00092110 -0.00024743 0.00028287
0.00735023 -0.00699186 0.02398838
19.58973467 12.99727313 5.36953120
-0.00048816 0.00030089 0.00088657
-0.01259772 -0.00704577 0.00401590
-3.25640256 -2.61592468 -21.99049546
0.00106313 0.00013686 -0.00158629
0.01023529 -0.02190995 -0.00611259
-4.74596133 -3.19451518 -24.23092628
-0.00056485 -0.00009310 0.00033146
0.01521111 -0.02467639 -0.00587756
-12.47596350 9.22616577 9.35959296
-0.00003720 -0.00008335 0.00038456
-0.00403981 -0.00602884 0.00620231
-13.12823859 8.83085039 6.58472277
-0.00017129 -0.00058239 -0.00006446
-0.00262955 -0.00065747 0.00817976
-12.58411754 7.42507534 -4.42020109
0.00017918 0.00003094 -0.00025190
-0.00080327 -0.00510315 0.01513793
-11.46642021 9.20171529 -2.51822684
-0.00022931 -0.00078220 -0.00023155
0.01125788 0.03867402 0.00817913
-4.80299333 -17.29948827 20.20542479
-0.00116474 -0.00101584 -0.00062242
0.01656309 0.00952938 -0.00499704
-1.81202301 -17.24218880 19.76535812
0.00003733 0.00041406 -0.00076343
-0.02368624 0.01217664 0.00599872
-3.60884192 5.51124466 -6.83902285
-0.00041041 -0.00021005 -0.00021242
0.00789874 0.00171436 -0.00762115
-3.56418493 8.54096831 -6.87238957
-0.00018764 -0.00000467 0.00017882
0.00481798 -0.04246688 -0.02796290
-21.10429636 28.37409100 0.07422124
-0.00059646 -0.00045921 0.00042187
-0.00007756 -0.01058765 -0.00753412
-18.97998087 29.30513814 1.69645856
0.00034795 0.00057488 0.00030440
0.05586201 -0.00705851 0.00196379
8.95203597 2.50001659 6.07253689
0.00015957 0.00019637 0.00115660
-0.01842843 0.00401863 -0.00362736
9.07035481 5.02084768 7.90229667
0.00063402 -0.00058327 0.00014396
0.01085776 -0.03632206 -0.00890861
7.01143596 14.77474368 -14.85497887
0.00059214 0.00122152 -0.00027069
0.00992542 0.01077630 -0.01821156
6.17889991 12.51086911 -13.23087374
0.00088826 -0.00013373 0.00006286
0.00754612 0.05756616 0.00450741
13.24354940 5.31009071 -3.47399596
0.00041076 -0.00065232 0.00019597
0.00784913 -0.01279310 -0.00225220
13.59035428 3.88804326 -1.19640252
-0.00044910 -0.00143836 0.00033922
-0.01870590 -0.01143534 0.05353708
-5.50363265 9.62840285 0.15963964
0.00017554 0.00041223 -0.00074604
0.01654745 -0.02460991 0.00698317
-8.04746812 10.89403901 0.17753111
0.00011112 -0.00175971 -0.00124710
0.01729773 0.00521380 -0.00523038
4.63189682 12.71955671 2.19099861
0.00015768 0.00008036 0.00005553
-0.01720022 0.00431318 -0.00779488
7.38796977 11.85645018 2.51910765
0.00053197 0.00020380 -0.00051458
-0.03215588 0.03835231 0.02743983
20.56286051 -12.88391998 -10.54779616
0.00138674 0.00035707 0.00015920
-0.01149703 -0.00789315 0.01495123
22.08586544 -13.64023150 -12.80747982
-0.00023492 0.00041986 0.00045372
0.01336393 -0.00464930 -0.00549089
18.07016064 -6.11451996 2.08386270
0.00071267 0.00096877 0.00017285
-0.03350542 -0.01225397 0.01357247
16.08501147 -8.01212089 3.29545639
0.00047133 0.00008698 0.00020347
-0.00966032 -0.03363998 -0.01027893
14.11319306 8.27349735 10.79271483
0.00030082 -0.00047755 0.00044446
-0.01910105 0.02150767 0.01521352
16.51439809 6.69607664 11.15816258
0.00053121 -0.00051887 -0.00051822
-0.00488445 0.00428237 0.00015094
2.68130515 -13.13276280 14.88909621
-0.00125467 0.00086557 0.00015221
-0.01392800 -0.01801270 -0.01234476
3.69320738 -12.22279783 17.17910045
-0.00056061 0.00048365 -0.00046214
-0.00074355 -0.02554134 0.01226413
-3.38595983 -2.67474771 -10.19520477
-0.00038468 -0.00060867 0.00024643
-0.00056102 0.02257373 0.00070747
-1.99177280 -0.44187558 -11.52045775
-0.00035181 -0.00027784 0.00000659
0.03421592 0.00449674 -0.01902544
14.80815097 -7.58864352 -11.38167439
0.00023014 0.00009138 -0.00015706
0.02027960 -0.01188403 0.04000759
16.78485059 -6.96990367 -8.84535159
-0.00006065 -0.00044058 -0.00020743
0.00537760 0.00627494 -0.01453382
7.17405421 -2.80143178 5.94213537
0.00040880 0.00019258 -0.00160426
-0.01221608 0.00182318 -0.00436485
9.92907269 -3.12706006 4.90223591
-0.00017766 -0.00110343 0.00030911
0.00740153 -0.00189181 -0.01001550
-21.65868977 1.37143108 22.70696559
0.00076920 -0.00084765 -0.00062856
0.00670040 0.00489013 0.02044645
-22.74809983 0.56935876 25.29981499
-0.00086216 -0.00007798 -0.00002562
0.00372250 0.00464907 -0.00576415
25.55991178 -2.94165929 -7.72389098
0.00016898 0.00072250 -0.00022899
-0.00487729 0.01070981 0.00166191
23.66130217 -0.55656312 -7.12409442
0.00000926 0.00017412 0.00039662
0.00197853 -0.00913928 -0.01025162
11.26714551 -12.85053849 -8.50604351
0.00073660 -0.00026272 -0.00065313
-0.00829739 0.00577953 -0.01454375
12.55692759 -10.34388473 -9.38959391
-0.00037910 -0.00057148 -0.00010600
0.00243092 -0.00518106 -0.00866305
-5.31740524 -10.45259290 18.35712701
-0.00004711 0.00006278 0.00019743
-0.02290176 -0.00031844 0.02239091
-6.20465132 -9.77275073 15.38545204
0.00065456 -0.00052707 0.00017246
0.01632922 -0.00822323 0.02932926
8.79361659 1.06554790 -31.72039319
0.00083375 0.00058662 -0.00016694
0.01091655 -0.00801789 -0.00306607
6.41908962 2.48946356 -31.22548507
-0.00006045 0.00032360 -0.00066250
0.00610432 0.00455644 0.00131174
11.43458846 18.36114527 13.40200128
0.00021578 -0.00048203 -0.00057163
-0.01561244 -0.01420655 0.01981656
12.04820068 15.82432734 14.61146597
-0.00012894 -0.00131566 0.00017929
-0.00406349 0.00282920 0.00072387
30.62100699 5.46990081 -8.12025751
0.00051293 -0.00022182 0.00050986
-0.00344377 0.00128878 0.00179280
28.85589576 7.88804021 -7.20882117
-0.00014953 -0.00068326 -0.00028576
0.05035370 -0.02730700 -0.01549685
-8.41521017 4.89741040 5.64546726
-0.00005020 -0.00015527 -0.00003110
0.00847031 0.00564959 0.00769693
-10.75697231 10.14175645 3.44262543
0.00004781 0.00002803 -0.00013336
-0.00028431 -0.00536203 0.00352635
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08355764
0.30720820
409.33952393
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.872 s
total exchange = -52.3473288335 (a.u.)
total exchange computation time: 2.8088178635 s
-154.2226116049
-931.39120601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.869 s
total exchange = -52.3471253856 (a.u.)
total exchange computation time: 2.8086237907 s
-154.2253448408
Anderson extrapolation: theta=1.3486194084 (1.3486194084)
-931.39147510
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3467985677 (a.u.)
total exchange computation time: 2.8098480701 s
-154.2293551571
Anderson extrapolation: theta=0.0526767191 (0.0526767191)
-931.39163689
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.872 s
total exchange = -52.3467368270 (a.u.)
total exchange computation time: 2.8079528809 s
-154.2299075698
Anderson extrapolation: theta=1.9410236240 (1.9410236240)
-931.39164328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.871 s
total exchange = -52.3466039021 (a.u.)
total exchange computation time: 2.8127810955 s
-154.2310381223
Anderson extrapolation: theta=0.2295823165 (0.2295823165)
-931.39165033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3465732062 (a.u.)
total exchange computation time: 2.8088328838 s
-154.2312568712
Anderson extrapolation: theta=1.8829221729 (1.8829221729)
-931.39165183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.871 s
total exchange = -52.3465345403 (a.u.)
total exchange computation time: 2.8084590435 s
-154.2314821951
Anderson extrapolation: theta=0.2924717264 (0.2924717264)
-931.39165384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.872 s
total exchange = -52.3465422853 (a.u.)
total exchange computation time: 2.8087351322 s
-154.2313716500
Anderson extrapolation: theta=1.2885276944 (1.2885276944)
-931.39165438
-256.291251 77.720669 -35.996402
566.246108 1066.909538 -418.921831
309.954857 1144.630208 -454.918233
1270.118468
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3465660015 (a.u.)
total exchange computation time: 2.8092031479 s
678.45118419
-1083.01431058
89.84140302
-389.57420659
-174.74915891
77.90269931
551.60419304
0.00000000
-931.39165488
5.62193700 -31.21001315 -3.78883668
-0.00025107 -0.00015694 0.00018456
-0.03718196 0.01296116 -0.01410731
-11.80432187 -1.01405906 -11.84667995
-0.00019801 -0.00001903 0.00015617
0.00534546 -0.02494390 0.00698269
-38.00330848 2.32900039 3.37764482
0.00027604 0.00006997 -0.00024908
0.01754124 -0.00492660 0.00677065
-9.59497250 -2.79301330 2.54115228
-0.00060627 0.00004124 -0.00020608
-0.04790018 0.04186671 -0.01058630
0.68374415 -0.21151049 8.98786533
0.00037765 -0.00011113 0.00003029
-0.00057152 0.00189385 -0.03178227
-32.38772983 2.74938745 1.82284333
0.00002305 -0.00000422 -0.00019200
-0.03748594 0.02093040 0.01559541
13.96145817 13.61953056 -14.34689812
0.00001323 0.00036917 -0.00017722
-0.04471087 -0.00428776 -0.01048958
-3.98112001 7.09320829 4.10578377
-0.00039797 0.00006890 -0.00021655
-0.02705390 -0.01292840 0.05020489
5.76156142 16.70573453 -8.49986793
0.00013381 0.00001600 0.00019821
0.01011136 -0.00870690 -0.02481483
6.84832067 7.15708622 -21.04677040
-0.00014305 0.00032894 -0.00004027
-0.00907686 -0.01070505 0.01422740
23.49494925 17.10361760 -2.29147426
-0.00030214 0.00006581 0.00028782
-0.00460805 -0.00757002 0.00530762
1.36053318 12.86223835 -21.04846649
0.00011182 0.00025848 0.00032579
0.00556748 -0.01673370 0.01062070
10.36028510 -3.62477339 -1.72854980
0.00030134 0.00015584 0.00023799
0.01698911 0.07890824 -0.00957367
-17.92469314 -2.66004512 4.67554776
0.00021691 -0.00008020 0.00015720
0.00717701 0.00762854 -0.01471679
-15.27208709 0.12878022 18.62635552
-0.00015580 0.00004059 -0.00011207
0.01899514 -0.00465912 0.00794404
2.78018774 2.75204719 -2.92646434
-0.00012449 0.00008976 0.00015446
-0.00123977 -0.01454773 -0.02274774
23.39710082 -7.78797884 -9.59718384
0.00019188 -0.00027846 -0.00010575
0.00691648 -0.01563638 -0.00202565
1.40219962 -7.99196813 6.67935105
0.00021243 0.00017148 0.00008867
0.01479013 0.01357523 0.01942431
-3.78730610 -1.20437104 -18.20134130
0.00025183 0.00038385 0.00027918
0.00280874 -0.02813747 0.01855765
3.27439135 4.26486623 -10.69382953
-0.00037998 0.00005586 0.00019743
-0.00106982 0.00183125 -0.02315876
-2.67423154 16.87275729 13.88051032
0.00011083 -0.00017792 0.00034778
0.02406010 0.00304918 0.00306961
-2.25337905 2.05408169 -7.05720898
-0.00017281 -0.00001024 -0.00006016
0.01038191 0.04044573 0.00172041
-6.64905774 -2.04179412 -4.40441106
-0.00024588 -0.00004920 -0.00021860
-0.03578828 0.01643877 -0.00728321
0.34781206 28.20813933 7.27171950
-0.00005298 0.00021338 -0.00000826
0.00040349 -0.00077438 0.01625922
10.02560093 -9.11571529 -1.46387358
0.00004920 -0.00005906 -0.00002997
0.02502952 -0.01302112 0.02179362
-6.83287785 0.36641334 7.58247652
-0.00014682 0.00022235 -0.00010585
0.00921494 0.01044745 0.00478458
18.62023036 11.73327513 6.32929895
0.00039561 -0.00006761 0.00013330
0.00260937 0.01338570 -0.02737664
-3.25588891 -3.98201614 -23.29394416
-0.00007826 0.00027325 0.00012233
-0.03266873 0.04618831 0.00849120
-13.64590580 8.27870188 8.28810141
0.00006027 0.00016654 0.00030146
0.00481156 0.00587417 -0.01175966
-12.02799884 7.52303468 -2.61019022
-0.00040737 -0.00022342 -0.00030107
-0.01003673 -0.03559565 -0.03230263
-3.25844607 -16.24913091 20.43290110
-0.00028178 -0.00012048 0.00015577
0.00173050 -0.02564475 -0.00426914
-3.22378020 6.91401791 -7.96198388
-0.00045256 0.00010735 0.00024136
-0.01680854 0.05262433 0.02962981
-20.67315449 29.53344106 1.36989632
-0.00004009 0.00016297 -0.00016175
-0.04669688 0.02507762 0.00528772
9.78780696 3.22329094 7.50569933
0.00002898 -0.00023258 -0.00017321
0.00964117 0.04277853 0.02259839
6.37636480 14.47985211 -13.19359332
-0.00000588 0.00030832 0.00056329
-0.01196751 -0.06926508 0.00372350
14.13835587 3.80073983 -2.84790910
-0.00010817 -0.00001811 0.00007014
0.01408534 0.01332538 -0.04477761
-6.30217868 11.07163037 -0.47352237
0.00010660 -0.00013472 0.00025796
-0.03040370 0.02526295 -0.00526826
6.08754709 13.16972931 3.17266006
0.00021417 0.00027937 -0.00006920
0.04983884 -0.03827014 -0.01271460
21.90034765 -12.28096554 -11.59659353
0.00000681 0.00011532 -0.00036150
0.00383928 0.01798992 -0.00230531
16.67655755 -6.35851808 3.35945837
0.00006687 -0.00005491 0.00002024
0.04474798 0.05269984 -0.01338123
15.27045712 7.24041853 9.91189388
0.00011829 -0.00014054 -0.00031637
0.02541131 -0.02850647 -0.01908695
3.05948827 -13.87313793 16.51106541
-0.00013499 0.00004058 -0.00017410
0.01894833 0.04483171 -0.00511445
-3.54763384 -0.85827859 -10.76163383
0.00002685 -0.00044405 -0.00015198
-0.03983314 -0.03094548 0.01612828
15.36056311 -7.93609316 -9.51486409
0.00016489 0.00016608 -0.00002842
-0.03724370 0.00214944 -0.02953879
8.85947250 -3.38390793 6.35043809
0.00053409 -0.00046478 0.00011742
0.00391600 -0.00578435 0.01569463
-21.42247888 1.61311434 24.54005642
-0.00022758 -0.00000209 -0.00009833
-0.01239842 -0.01216156 -0.01772719
24.90889182 -1.71637974 -6.48314086
-0.00001962 -0.00008115 -0.00010699
0.00609999 -0.00169232 0.00711588
11.66151346 -11.82938713 -10.00502425
0.00027791 0.00001082 0.00006154
0.00319216 -0.00304460 0.01116717
-4.87069110 -10.25290312 16.63843355
0.00004141 -0.00007320 -0.00026030
0.01388976 -0.00329255 -0.04236007
8.11852345 2.26950603 -30.51880296
0.00026820 0.00035757 -0.00052238
-0.02476734 -0.00078484 -0.00500796
10.84326409 17.20664251 14.79375001
0.00012263 -0.00034765 -0.00020801
0.02418635 0.01441695 -0.02847773
30.68017353 7.27026418 -7.67459292
-0.00007255 0.00001804 0.00018681
-0.04471803 0.02208934 0.02547647
5.74372852 -30.08748432 -5.27640902
0.00033744 0.00018086 -0.00029543
0.00140975 -0.00777031 0.00913904
3.90548776 -30.80489755 -3.11874708
-0.00001031 -0.00058142 0.00025427
0.02485261 0.00010784 -0.00223842
-12.37322263 -2.09386407 -13.31048419
-0.00041954 0.00102367 -0.00096733
-0.00234915 0.00095682 0.00785312
-11.67669771 0.58514716 -12.65574446
0.00030037 0.00057232 0.00009430
-0.00205284 0.02639750 -0.00846470
-37.88204771 3.69618793 2.16459789
-0.00042594 -0.00010505 0.00100342
-0.01664029 0.00364960 -0.00137300
-39.66465313 1.56269726 3.38600175
-0.00016781 0.00099920 -0.00010734
-0.00298707 0.00527996 -0.00756665
-9.81936394 -3.18578761 0.74857285
0.00051257 -0.00073801 -0.00036253
-0.00808311 -0.00095183 0.00207484
-8.19338558 -3.60722502 3.13222177
-0.00090564 0.00075716 0.00104210
0.05133548 -0.03364949 0.01773025
0.10686295 -0.32935004 7.21318780
-0.00044451 -0.00085622 -0.00079875
0.00513973 -0.00339270 0.02084970
1.98087070 1.06919233 8.85833460
-0.00028329 0.00006659 0.00030770
0.00107163 -0.00064374 0.00743491
-32.10688139 1.09221059 2.47328413
-0.00064964 0.00000929 0.00042709
0.01079174 -0.02798270 -0.00132109
-34.22049233 2.94718103 2.27278535
-0.00032959 0.00099628 -0.00035625
0.02904292 -0.00149056 -0.01342879
12.59986021 12.72088838 -15.32609813
0.00150328 0.00035145 0.00013399
0.02227547 0.01734659 0.01829321
15.46396011 13.07970065 -15.16131319
0.00029050 -0.00129034 -0.00039670
0.02127222 -0.00834702 -0.00186995
-3.93467492 8.83085584 4.71411618
-0.00028619 -0.00012120 0.00062938
0.00292129 0.00773963 -0.00706207
-3.33804078 6.86767514 2.49427125
-0.00066077 -0.00050117 -0.00142026
0.02158532 0.00066503 -0.04068848
5.86008264 16.20827013 -10.36331715
0.00066831 -0.00070861 0.00075395
0.00162475 0.00593848 0.03209213
7.56752147 16.91985010 -8.00961578
0.00015237 -0.00013376 0.00016462
-0.00857299 -0.00052935 -0.00482375
7.97611170 7.18831284 -22.47219462
-0.00057195 -0.00012234 0.00026144
0.00474638 0.00078661 -0.02620598
8.06870769 7.52923845 -19.76029900
-0.00050048 0.00073261 0.00015510
0.00346291 0.00784180 0.01312187
21.81353424 17.91883849 -2.26158253
-0.00058269 0.00015452 -0.00065700
0.00477656 -0.00794891 0.00359462
24.53071924 18.13484570 -3.34426754
-0.00001846 -0.00102294 0.00037745
0.00557295 0.00905605 -0.00956406
1.23349068 11.08041452 -21.59423228
0.00037017 -0.00046218 0.00028343
-0.00811572 0.01601406 -0.00110529
0.79012520 14.13728951 -22.22077245
-0.00072194 -0.00035165 -0.00017326
0.00099354 -0.00516075 -0.00995138
9.88989377 -5.26272125 -1.57515570
-0.00047671 -0.00031878 -0.00012132
-0.02191084 -0.07231301 0.00488136
8.90775557 -2.53547052 -2.09015488
0.00035320 0.00070073 -0.00210644
0.00526124 -0.01040775 -0.00185279
-18.93873767 -4.08763522 5.12141449
-0.00012819 -0.00014362 0.00079146
-0.00705395 -0.01066267 0.00294977
-17.17893840 -3.07964005 3.04065211
0.00095078 0.00034505 -0.00006923
-0.00998116 0.00012100 0.00778735
-15.39099531 0.08763347 16.80159798
-0.00040164 0.00040244 -0.00042958
0.00600697 0.00075842 -0.00119086
-13.83762521 1.23732868 18.97003326
0.00069867 -0.00047193 0.00006255
-0.01194864 -0.00390274 -0.00417898
3.19439848 3.50296336 -4.56183175
-0.00005832 0.00044488 0.00015120
-0.00756814 0.00820586 0.01540970
3.60757913 1.09138067 -3.23244711
-0.00101018 -0.00060580 -0.00008954
-0.00459428 0.01823561 0.01498368
22.82110809 -9.46983443 -10.27146117
-0.00016068 -0.00039009 -0.00033590
0.01333226 0.01614358 0.00668477
24.96771152 -7.88993212 -8.62049591
-0.00071563 0.00028464 -0.00009428
-0.01276848 -0.00119202 -0.01127866
2.21259415 -8.55701519 5.14862739
0.00042711 -0.00110760 0.00121111
0.00378151 -0.00108849 0.00077897
2.76557117 -7.63606882 7.95762116
-0.00057548 -0.00125584 0.00077357
-0.02025195 -0.00891888 -0.02434829
-4.08434833 -2.92117290 -17.47354379
0.00079984 0.00058708 -0.00031428
0.00968574 0.01548251 -0.01837034
-4.85144152 -0.33513113 -16.95179427
-0.00035610 -0.00034897 0.00009367
-0.00534181 0.00870165 -0.00591904
2.23299094 4.77974443 -12.21943687
-0.00003665 -0.00023147 -0.00008225
0.00942707 -0.00802499 0.03469349
2.23093690 3.55985472 -9.37872218
0.00007805 0.00053228 0.00082974
-0.01343153 0.00677111 -0.00910726
-0.93515442 16.13566080 13.37310431
0.00036578 0.00106766 -0.00085127
-0.02391819 -0.00134492 0.00088674
-2.42997051 17.08318531 15.68393447
-0.00027108 0.00014455 -0.00071031
-0.00797238 0.00136226 -0.00349786
-1.68538985 1.05975952 -5.72559890
0.00016388 0.00046674 0.00028951
0.00493845 -0.02115689 0.02741681
-2.82822491 0.96988894 -8.37608816
0.00064492 0.00063610 0.00049683
-0.01530278 -0.02039634 -0.01611385
-8.13841344 -2.90979100 -5.14316795
0.00054530 0.00017404 0.00087729
0.01727171 -0.00106697 0.01171099
-7.44550969 -0.37205178 -4.09492650
-0.00000419 -0.00019370 0.00031050
0.01655368 -0.01219479 -0.00001993
1.43589725 28.50048345 5.86317317
-0.00073678 -0.00071567 0.00066062
0.00243932 0.00170600 -0.01322255
-1.34884532 28.47752383 6.63085248
0.00133160 -0.00007248 0.00106798
-0.00462581 -0.00606021 -0.01137752
8.35914555 -9.11732096 -2.16950562
0.00014204 0.00025470 -0.00052538
-0.01693137 -0.00328603 -0.00132294
10.00379095 -10.05554769 0.17654701
0.00045374 -0.00024679 -0.00001943
0.00034514 0.01782527 -0.02147789
-5.66981220 0.06786649 9.02631225
-0.00047494 0.00052146 0.00165471
-0.00795359 -0.00121210 -0.00094185
-8.43323669 -0.32169230 8.10412294
0.00021950 0.00053549 0.00056873
-0.00233779 -0.00513592 0.00374849
19.87331166 11.34379599 7.54807626
-0.00088223 -0.00027802 0.00038844
0.01167633 -0.00797782 0.02768666
19.58202617 13.00157060 5.38295285
-0.00053428 0.00027713 0.00089899
-0.00997700 -0.00458551 0.00206274
-3.24014194 -2.61454319 -22.01447713
0.00110497 0.00005862 -0.00159964
0.01024455 -0.01638664 -0.00042435
-4.75396791 -3.19666785 -24.22613450
-0.00050190 -0.00019440 0.00030778
0.01559989 -0.02491136 -0.00571502
-12.47664523 9.22473085 9.36555138
-0.00005234 -0.00010647 0.00040931
-0.00337395 -0.00529325 0.00591249
-13.13088846 8.82209433 6.58400657
-0.00018129 -0.00058401 -0.00002944
-0.00226756 -0.00013470 0.00895914
-12.58145447 7.42538314 -4.42351574
0.00017437 0.00000953 -0.00019273
-0.00154970 -0.00538179 0.01382792
-11.46951487 9.19116737 -2.52144947
-0.00018084 -0.00061714 -0.00019716
0.01246787 0.04212518 0.00865352
-4.81995689 -17.31443391 20.19593542
-0.00108532 -0.00096846 -0.00064071
0.02231571 0.01366624 -0.00396046
-1.81218882 -17.23560472 19.75409050
-0.00006184 0.00046504 -0.00073731
-0.02485778 0.01277784 0.00678629
-3.61475602 5.50814642 -6.84244270
-0.00037832 -0.00020300 -0.00024257
0.00780799 0.00173874 -0.00713823
-3.56685193 8.53959701 -6.87056420
-0.00016877 -0.00017683 0.00006601
0.00441969 -0.04181013 -0.02725525
-21.11324567 28.36687835 0.08031848
-0.00059477 -0.00050119 0.00039335
0.00090396 -0.00995909 -0.00642707
-18.97304989 29.31354500 1.70108478
0.00056539 0.00054661 0.00030923
0.05057672 -0.00677911 0.00039788
8.95386485 2.50308524 6.08977478
0.00007475 0.00020423 0.00112491
-0.02309079 -0.00016930 -0.01188463
9.08019777 5.01098558 7.90418305
0.00067604 -0.00072788 0.00010830
0.00971078 -0.03446689 -0.00854794
7.02062224 14.79339677 -14.85959722
0.00062552 0.00126173 -0.00032658
0.00641164 0.00890317 -0.00914696
6.19245505 12.51062720 -13.22979267
0.00091875 0.00010393 0.00008123
0.00738093 0.05876777 0.00448563
13.24995129 5.29991391 -3.47112539
0.00043711 -0.00069539 0.00018443
0.00504831 -0.00828811 -0.00339807
13.58304450 3.86611745 -1.18967372
-0.00052394 -0.00148506 0.00054950
-0.01792397 -0.01142536 0.04939557
-5.50049251 9.63383216 0.14866308
0.00025052 0.00030026 -0.00071282
0.02015581 -0.03020072 0.00927802
-8.04527120 10.86780313 0.15866436
0.00017709 -0.00173750 -0.00126623
0.01499211 0.00565828 -0.00413403
4.63373490 12.72089424 2.19159264
0.00008803 0.00009855 0.00002409
-0.01689145 0.00459162 -0.00759478
7.39496399 11.86068237 2.51222983
0.00039864 0.00036240 -0.00040121
-0.03311279 0.03928521 0.02805574
20.58330935 -12.87880584 -10.54495000
0.00132978 0.00032070 0.00022841
-0.01638866 -0.00990636 0.01892703
22.08275108 -13.63407608 -12.80084232
-0.00017861 0.00039299 0.00042354
0.01420369 -0.00850388 -0.00927973
18.07982396 -6.10036385 2.08687141
0.00057142 0.00091612 0.00023130
-0.03563715 -0.01352171 0.01503512
16.09178544 -8.01184709 3.29819344
0.00043139 -0.00005469 0.00016028
-0.00989188 -0.03570503 -0.01086450
14.11712006 8.26699317 10.79984795
0.00022443 -0.00039102 0.00050534
-0.01829277 0.02085096 0.01458741
16.52221658 6.68842480 11.15039393
0.00050878 -0.00050015 -0.00052000
-0.00609744 0.00488207 -0.00102355
2.66205836 -13.12033127 14.89100104
-0.00131043 0.00078918 0.00010523
-0.01336926 -0.01937865 -0.01065208
3.68477545 -12.21632568 17.17254416
-0.00056279 0.00037773 -0.00041125
-0.00032128 -0.02630869 0.01264763
-3.39174722 -2.68318604 -10.19148669
-0.00038625 -0.00051427 0.00024820
-0.00021001 0.02363619 0.00016106
-1.99600140 -0.44590536 -11.52094196
-0.00020743 -0.00025914 -0.00007321
0.03645521 0.00465463 -0.02003452
14.81222446 -7.58763696 -11.38280441
0.00031315 0.00004302 0.00000697
0.02035534 -0.01178859 0.04029058
16.78410570 -6.97632005 -8.84890846
-0.00003340 -0.00041108 -0.00026426
0.00795767 0.00816514 -0.01328513
7.17981184 -2.79848721 5.91793766
0.00036703 0.00019591 -0.00161677
-0.00823004 -0.00019123 -0.00175857
9.92663467 -3.14366949 4.90656572
-0.00013928 -0.00111031 0.00026068
0.01138479 -0.00147579 -0.01369297
-21.64694644 1.35886613 22.69816379
0.00079643 -0.00082667 -0.00053847
0.00662714 0.00537951 0.02365105
-22.76091809 0.56833152 25.29925409
-0.00084214 -0.00005518 -0.00005248
0.00607326 0.00651046 -0.00738420
25.56229697 -2.93049355 -7.72727485
0.00015062 0.00076260 -0.00022577
-0.00410679 0.00891947 -0.00008546
23.66150173 -0.55423134 -7.11845931
0.00001726 0.00013699 0.00035402
0.00193412 -0.00903784 -0.01059798
11.27794030 -12.85430224 -8.51628610
0.00070098 -0.00024278 -0.00070606
-0.00914219 0.00398340 -0.01136777
12.55131555 -10.35261571 -9.39144938
-0.00036307 -0.00058246 -0.00013724
0.00541536 -0.00019120 -0.00662831
-5.31881370 -10.45166094 18.36077459
-0.00013839 0.00006239 0.00028064
-0.02178196 0.00012600 0.01833939
-6.19433251 -9.78090872 15.38893769
0.00071329 -0.00055762 0.00028543
0.01241846 -0.00673008 0.02596839
8.80645734 1.07410144 -31.72299125
0.00087797 0.00055221 -0.00018122
0.01073220 -0.00882554 -0.00392223
6.41836988 2.49445725 -31.23538231
-0.00003058 0.00034111 -0.00065603
0.00851828 0.00401267 0.00185385
11.43734682 18.35347952 13.39403412
0.00015213 -0.00054214 -0.00048900
-0.01554768 -0.01521680 0.02063090
12.04614205 15.80467917 14.61417756
-0.00014983 -0.00129697 0.00018206
-0.00616107 0.00632049 0.00063009
30.62859536 5.46661307 -8.11255470
0.00049887 -0.00021506 0.00051720
-0.00343488 0.00201652 0.00180190
28.85519585 7.87695456 -7.21358247
0.00005374 -0.00079262 -0.00034782
0.04914748 -0.02622570 -0.01488236
-8.41594049 4.89509649 5.64502148
-0.00004713 -0.00015323 -0.00002837
0.00871619 0.00576411 0.00751648
-10.75625571 10.14216755 3.44063113
0.00004773 0.00002676 -0.00013255
-0.00039574 -0.00557620 0.00351534
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08327896
0.30837591
410.89544277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.962 s
total exchange = -52.3532375382 (a.u.)
total exchange computation time: 2.8001289368 s
-154.2415760277
-931.39255851
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3529936449 (a.u.)
total exchange computation time: 2.8002030849 s
-154.2447026102
Anderson extrapolation: theta=1.3800655638 (1.3800655638)
-931.39283121
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.869 s
total exchange = -52.3526013898 (a.u.)
total exchange computation time: 2.8026378155 s
-154.2493404310
Anderson extrapolation: theta=0.0655408907 (0.0655408907)
-931.39300243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.872 s
total exchange = -52.3525281868 (a.u.)
total exchange computation time: 2.8012430668 s
-154.2499809202
Anderson extrapolation: theta=2.2217182345 (2.0000000000)
-931.39301143
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.869 s
total exchange = -52.3523649785 (a.u.)
total exchange computation time: 2.8004469872 s
-154.2513147386
Anderson extrapolation: theta=0.3511242846 (0.3511242846)
-931.39302261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.963 s
total exchange = -52.3523073900 (a.u.)
total exchange computation time: 2.8011119366 s
-154.2517100786
Anderson extrapolation: theta=1.1500062783 (1.1500062783)
-931.39302537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.958 s
total exchange = -52.3522566309 (a.u.)
total exchange computation time: 2.8001508713 s
-154.2519806493
Anderson extrapolation: theta=0.4360965385 (0.4360965385)
-931.39302762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.962 s
total exchange = -52.3522514428 (a.u.)
total exchange computation time: 2.8008451462 s
-154.2519199622
Anderson extrapolation: theta=0.8493258241 (0.8493258241)
-931.39302842
-256.290045 77.665585 -35.967120
566.259651 1066.880339 -418.910309
309.969606 1144.545925 -454.877429
1270.031498
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412006490
ExchangeOperator: bisection time: 1.870 s
total exchange = -52.3522598586 (a.u.)
total exchange computation time: 2.8025000095 s
678.55490051
-1083.21742305
89.82377662
-389.43651109
-174.76551206
78.01178630
551.60419304
0.00000000
-931.39302892
5.61802748 -31.21231731 -3.78612270
-0.00026944 -0.00014991 0.00017638
-0.03423242 0.01437277 -0.01771871
-11.80727138 -1.01444073 -11.84431043
-0.00019529 -0.00003069 0.00015868
0.00523886 -0.02038562 0.00275879
-37.99910029 2.33003096 3.37393472
0.00028466 0.00006605 -0.00024447
0.01599683 -0.01031783 0.01114599
-9.60425137 -2.79223326 2.53802017
-0.00063080 0.00006262 -0.00021192
-0.04745834 0.04126990 -0.01209458
0.68940669 -0.21317006 8.98819701
0.00037611 -0.00011093 0.00001259
-0.00540757 -0.00115070 -0.03701352
-32.38752873 2.74940486 1.82002351
0.00000338 0.00000643 -0.00018377
-0.03897657 0.02047867 0.01638380
13.96148419 13.62505160 -14.34959689
-0.00000662 0.00036704 -0.00018281
-0.03249642 -0.00401970 -0.01125075
-3.98719398 7.09419199 4.10272925
-0.00041093 0.00006184 -0.00019322
-0.02332639 -0.01453348 0.04048137
5.76360752 16.70594089 -8.49699047
0.00013910 0.00001158 0.00018595
0.01046427 -0.00845388 -0.02286347
6.84613998 7.16197906 -21.04731950
-0.00014833 0.00032345 -0.00003218
-0.01146460 -0.01064149 0.01723033
23.49039939 17.10457557 -2.28713651
-0.00030553 0.00006155 0.00029111
-0.00855856 -0.00899937 0.00748398
1.36223194 12.86605097 -21.04353864
0.00011447 0.00024903 0.00033061
0.00475952 -0.02000562 0.00811507
10.36487068 -3.62213142 -1.72501681
0.00030857 0.00019489 0.00023291
0.01115616 0.07292930 -0.01019789
-17.92141186 -2.66121869 4.67784901
0.00022057 -0.00007678 0.00014937
0.00706818 0.00566507 -0.01573093
-15.27435077 0.12937115 18.62470519
-0.00014548 0.00003847 -0.00010846
0.02111660 -0.00357772 0.00606905
2.77831567 2.75333740 -2.92423526
-0.00012504 0.00008201 0.00014253
-0.00093411 -0.01557374 -0.02362154
23.40000565 -7.79221606 -9.59877783
0.00019392 -0.00028655 -0.00010774
0.00103457 -0.01582321 -0.00572262
1.40544306 -7.98934350 6.68075602
0.00021921 0.00017854 0.00009903
0.01160850 0.01386902 0.02087028
-3.78351786 -1.19872176 -18.19708208
0.00025349 0.00037002 0.00028827
0.00366842 -0.02567096 0.01681013
3.26868745 4.26571119 -10.69095746
-0.00038025 0.00005674 0.00018565
0.00002744 0.00159130 -0.02264505
-2.67247625 16.87010019 13.88573890
0.00012300 -0.00017643 0.00034700
0.02324599 0.00274830 -0.00610269
-2.25593118 2.05408412 -7.05810476
-0.00016673 0.00001160 -0.00005746
0.01325110 0.04447277 0.00879795
-6.65288402 -2.04246875 -4.40771821
-0.00026256 -0.00004007 -0.00022148
-0.02905169 0.01909058 -0.00389336
0.34701889 28.21133698 7.27165834
-0.00005115 0.00021216 0.00000292
0.00671830 -0.00393852 0.02722332
10.02643543 -9.11665149 -1.46423912
0.00006197 -0.00006567 -0.00001896
0.02464516 -0.01265339 0.02103417
-6.83504467 0.36978888 7.58090729
-0.00014080 0.00022759 -0.00010193
0.01419337 0.00994189 0.01044193
18.62617465 11.73231266 6.33119280
0.00039521 -0.00006122 0.00011896
-0.00420078 0.01144077 -0.02838384
-3.25718882 -3.97773919 -23.29207647
-0.00009513 0.00029541 0.00012505
-0.03293591 0.03999215 0.00208560
-13.64498322 8.28122270 8.29257793
0.00006248 0.00016923 0.00029528
0.00378997 0.00455643 -0.01227244
-12.03414808 7.51954610 -2.61483091
-0.00041250 -0.00024209 -0.00031729
-0.00991066 -0.03702314 -0.03077525
-3.26266612 -16.25103711 20.43522112
-0.00028202 -0.00013463 0.00015321
-0.00266780 -0.02937656 -0.00565321
-3.23063339 6.91583120 -7.95824916
-0.00046098 0.00013408 0.00025614
-0.01593777 0.05129510 0.02784170
-20.67393589 29.53598231 1.36749042
-0.00006252 0.00017551 -0.00015888
-0.04053017 0.02370690 0.00588749
9.78827883 3.21996725 7.50318840
0.00003548 -0.00021013 -0.00015966
0.01562922 0.04452537 0.03007421
6.37623037 14.48420976 -13.18512965
-0.00001108 0.00027310 0.00056283
-0.00823454 -0.06769971 -0.00548672
14.13678770 3.80051953 -2.84702969
-0.00010046 -0.00001257 0.00004910
0.01588023 0.00825219 -0.03705791
-6.30069693 11.06970707 -0.46967334
0.00009092 -0.00012063 0.00025448
-0.03057016 0.02950359 -0.00825634
6.09095187 13.17377230 3.17157309
0.00023962 0.00025959 -0.00007592
0.04913747 -0.03865882 -0.01341816
21.90046468 -12.27916634 -11.60202498
0.00000959 0.00012599 -0.00036259
0.00696820 0.02349638 -0.00190486
16.67773319 -6.35913844 3.35971034
0.00009016 -0.00002742 0.00001325
0.04583789 0.05418762 -0.01378766
15.27232952 7.23820046 9.90707475
0.00013123 -0.00015496 -0.00032560
0.02488531 -0.02757318 -0.01680060
3.05753652 -13.87235635 16.50843418
-0.00012554 0.00006401 -0.00017731
0.01780774 0.04631237 -0.00738093
-3.54738478 -0.86505867 -10.76385130
0.00000600 -0.00045998 -0.00014352
-0.04121961 -0.03102508 0.01676905
15.36289278 -7.93359368 -9.51540430
0.00014508 0.00016663 -0.00004386
-0.03978016 0.00000959 -0.03049131
8.86749902 -3.39090193 6.35225991
0.00053398 -0.00046725 0.00012575
-0.00434655 -0.00382018 0.01672145
-21.42594045 1.61303610 24.53851307
-0.00023444 -0.00000884 -0.00010772
-0.01425883 -0.01407526 -0.01877005
24.90862103 -1.71760346 -6.48471830
-0.00001671 -0.00008156 -0.00010279
0.00522733 0.00008228 0.00923917
11.66569442 -11.82923654 -10.00405803
0.00027898 0.00000839 0.00006589
0.00096146 -0.00641942 0.00573689
-4.87001642 -10.25401378 16.63436568
0.00004936 -0.00007547 -0.00027971
0.01704069 -0.00554257 -0.03311071
8.12245097 2.27486656 -30.52665799
0.00025496 0.00035742 -0.00052487
-0.02672686 0.00019527 -0.00468623
10.84519683 17.20148341 14.79051998
0.00013543 -0.00034093 -0.00022267
0.02558576 0.01171923 -0.02853175
30.67891280 7.27061992 -7.67169249
-0.00009499 0.00002885 0.00019960
-0.04256150 0.01995586 0.02425297
5.74883326 -30.08500955 -5.28056049
0.00034099 0.00014475 -0.00025166
0.00033106 -0.00990332 0.01228781
3.90609466 -30.81361549 -3.11500157
0.00008761 -0.00057918 0.00024580
0.02307808 0.00098661 -0.00191185
-12.37958765 -2.07847975 -13.32475353
-0.00042812 0.00102708 -0.00093219
-0.00185454 0.00071321 0.00934863
-11.67225505 0.59454087 -12.65458940
0.00029167 0.00067086 0.00006527
-0.00220779 0.02183825 -0.00574594
-37.88894671 3.69472406 2.17960705
-0.00049158 -0.00007865 0.00098782
-0.01548945 0.00927158 -0.00625957
-39.66726185 1.57784704 3.38415985
-0.00017957 0.00101974 -0.00013713
-0.00276982 0.00477359 -0.00701909
-9.81192312 -3.19688692 0.74319846
0.00047948 -0.00074088 -0.00035121
-0.00811390 -0.00045564 0.00346748
-8.20539716 -3.59689869 3.14839652
-0.00069606 0.00062029 0.00111541
0.05125555 -0.03334947 0.01815784
0.10035276 -0.34229733 7.20184538
-0.00041769 -0.00086759 -0.00070062
0.00798825 -0.00217330 0.02719024
1.97665416 1.07017152 8.86317797
-0.00027540 0.00006762 0.00033588
0.00279297 0.00114493 0.00635783
-32.11629533 1.09149253 2.47965006
-0.00060665 -0.00010285 0.00042068
0.01025487 -0.02691237 -0.00181955
-34.22454628 2.96207955 2.26703017
-0.00020683 0.00098880 -0.00041192
0.03104954 -0.00217265 -0.01382669
12.62309199 12.72669167 -15.32352779
0.00157977 0.00041583 0.00020202
0.01516876 0.01417058 0.01500896
15.46896949 13.06008972 -15.16732092
0.00036676 -0.00131866 -0.00039586
0.01605870 -0.00551248 0.00227715
-3.93887823 8.82927502 4.72334049
-0.00027350 -0.00009107 0.00059758
0.00328776 0.00700772 -0.00850524
-3.34729091 6.86017802 2.47172050
-0.00058148 -0.00049394 -0.00156451
0.01722899 0.00287464 -0.02992131
5.87015713 16.19782293 -10.35102449
0.00067397 -0.00068403 0.00088394
0.00114473 0.00609290 0.03154007
7.56954436 16.91782750 -8.00729435
0.00011764 -0.00013540 0.00014589
-0.00843094 -0.00027541 -0.00434058
7.96767795 7.18650184 -22.46907603
-0.00054817 -0.00011898 0.00014950
0.00689070 0.00085621 -0.02859037
8.06130660 7.54046795 -19.75757042
-0.00048602 0.00076478 0.00020777
0.00361542 0.00790422 0.01266147
21.80494030 17.92091272 -2.27132743
-0.00055956 0.00012043 -0.00064225
0.00654475 -0.00873809 0.00362526
24.53061305 18.11977908 -3.33889879
0.00000887 -0.00098150 0.00033373
0.00780761 0.01122998 -0.01184034
1.23879456 11.07397254 -21.59001470
0.00033740 -0.00038944 0.00028181
-0.00792672 0.01959377 0.00031460
0.77932662 14.13185668 -22.22367623
-0.00071664 -0.00037403 -0.00021164
0.00159929 -0.00579889 -0.00883608
9.88207169 -5.26971889 -1.57682595
-0.00056157 -0.00059631 -0.00010359
-0.01963001 -0.06353640 0.00380040
8.91321484 -2.52527853 -2.12180819
0.00038170 0.00065239 -0.00211108
0.00868957 -0.01325349 -0.00042285
-18.94087674 -4.09011622 5.13337684
-0.00015197 -0.00018259 0.00080003
-0.00458527 -0.00841381 0.00124227
-17.16498252 -3.07446067 3.03985229
0.00090583 0.00034485 -0.00003258
-0.01202310 -0.00021778 0.01015342
-15.39683578 0.09369330 16.79511778
-0.00037640 0.00040584 -0.00042950
0.00634538 0.00090378 0.00122923
-13.82751131 1.23013012 18.97084341
0.00064546 -0.00049043 0.00004418
-0.01409887 -0.00515394 -0.00481037
3.19329181 3.50988802 -4.55909158
-0.00008900 0.00047669 0.00021605
-0.00744921 0.00736370 0.01633763
3.59228559 1.08285253 -3.23333110
-0.00102966 -0.00052775 -0.00002877
-0.00494067 0.01996960 0.01476741
22.81910639 -9.47519115 -10.27629488
-0.00010433 -0.00032142 -0.00030712
0.01425504 0.01747292 0.00740306
24.95658583 -7.88569898 -8.62225579
-0.00075754 0.00027805 -0.00013436
-0.00774734 -0.00203825 -0.00833837
2.21911669 -8.57366255 5.16681793
0.00044541 -0.00111398 0.00120837
0.00517825 -0.00203330 -0.00212047
2.75631837 -7.65517978 7.96847865
-0.00065431 -0.00129025 0.00067712
-0.01833397 -0.00792436 -0.02286594
-4.07205398 -2.91189222 -17.47882095
0.00083840 0.00064400 -0.00038663
0.00919251 0.01237652 -0.01704655
-4.85694667 -0.34009903 -16.95057063
-0.00037846 -0.00031207 0.00007106
-0.00560700 0.00936298 -0.00514945
2.23273012 4.77602655 -12.21960752
0.00000031 -0.00026395 0.00005952
0.00866542 -0.00787509 0.03470387
2.23169609 3.56804634 -9.36655518
0.00002266 0.00056018 0.00079140
-0.01368327 0.00688616 -0.00965964
-0.93040069 16.15163452 13.36036239
0.00026705 0.00106129 -0.00084498
-0.02440831 -0.00177433 0.00219329
-2.43428104 17.08539533 15.67317263
-0.00030038 0.00015139 -0.00070851
-0.00636792 0.00198338 0.00437757
-1.68278035 1.06611224 -5.72041606
0.00018282 0.00038236 0.00039826
0.00433618 -0.02014343 0.02581378
-2.81902005 0.97880549 -8.36912954
0.00057763 0.00054262 0.00041975
-0.01763424 -0.02536422 -0.02161643
-8.12970472 -2.90721317 -5.12964972
0.00060301 0.00016215 0.00091824
0.01097761 -0.00475116 0.00833277
-7.44506529 -0.37533095 -4.09026968
0.00006232 -0.00024160 0.00031027
0.01600100 -0.01125501 -0.00009264
1.42492025 28.48980066 5.87267727
-0.00071547 -0.00070587 0.00059238
0.00799425 0.00308919 -0.02018218
-1.32901309 28.47625086 6.64652354
0.00128863 -0.00009388 0.00101318
-0.01640743 -0.00441319 -0.01544584
8.36075729 -9.11360109 -2.17742686
0.00007462 0.00024028 -0.00052872
-0.01606928 -0.00377489 -0.00031264
10.01060769 -10.05870332 0.17559741
0.00045399 -0.00017385 -0.00010764
-0.00022583 0.01788086 -0.02170118
-5.67717997 0.07565120 9.05110401
-0.00051242 0.00051833 0.00163949
-0.01039481 -0.00032071 -0.00650951
-8.43001588 -0.31381734 8.11276878
0.00020527 0.00051303 0.00058363
-0.00462609 -0.00585812 0.00354348
19.86043600 11.33938130 7.55475124
-0.00082715 -0.00031217 0.00050786
0.01528738 -0.00874121 0.03077021
19.57370622 13.00558704 5.39650091
-0.00056919 0.00026411 0.00090314
-0.00711243 -0.00179037 -0.00003147
-3.22325348 -2.61416597 -22.03848481
0.00114699 0.00000459 -0.00158885
0.01032392 -0.01006276 0.00570630
-4.76101843 -3.20034724 -24.22169297
-0.00043799 -0.00029608 0.00028459
0.01568590 -0.02485857 -0.00563267
-12.47753374 9.22297152 9.37187217
-0.00006459 -0.00012643 0.00043300
-0.00262407 -0.00447670 0.00568530
-13.13367730 8.81333002 6.58383945
-0.00018963 -0.00058332 0.00000833
-0.00181715 0.00047473 0.00953197
-12.57888637 7.42536111 -4.42598293
0.00016639 -0.00001294 -0.00013963
-0.00235847 -0.00561617 0.01216519
-11.47184542 9.18320114 -2.52414177
-0.00012870 -0.00044164 -0.00016113
0.01305626 0.04378293 0.00898785
-4.83555281 -17.32854200 20.18620334
-0.00098441 -0.00090534 -0.00065485
0.02707910 0.01722922 -0.00296055
-1.81387807 -17.22823755 19.74323880
-0.00016453 0.00051773 -0.00070847
-0.02541200 0.01301324 0.00733177
-3.62019159 5.50515473 -6.84630004
-0.00034665 -0.00019612 -0.00027063
0.00769409 0.00162899 -0.00659409
-3.56924806 8.53566333 -6.87040920
-0.00015180 -0.00034472 -0.00004281
0.00388678 -0.04037393 -0.02601465
-21.12213957 28.35905535 0.08602183
-0.00058882 -0.00053997 0.00036996
0.00200965 -0.00902643 -0.00502270
-18.96301925 29.32153639 1.70573538
0.00075712 0.00051995 0.00030675
0.04327627 -0.00626794 -0.00160965
8.95427857 2.50614351 6.10628431
-0.00002908 0.00019506 0.00105992
-0.02773638 -0.00432036 -0.01993127
9.09063588 4.99901113 7.90554556
0.00071285 -0.00086343 0.00007455
0.00830954 -0.03188261 -0.00796994
7.03020146 14.81259551 -14.86477614
0.00064462 0.00129406 -0.00034546
0.00293748 0.00692386 -0.00009681
6.20646253 12.51398694 -13.22843670
0.00094841 0.00034406 0.00009926
0.00713701 0.05877846 0.00433717
13.25666258 5.28922916 -3.46846306
0.00045144 -0.00071913 0.00016794
0.00196657 -0.00333749 -0.00467332
13.57463623 3.84349142 -1.17991766
-0.00059408 -0.00153151 0.00073821
-0.01641066 -0.01131057 0.04298291
-5.49611710 9.63741059 0.13825513
0.00033887 0.00016798 -0.00067147
0.02309131 -0.03455257 0.01096249
-8.04215546 10.84191402 0.13954424
0.00023292 -0.00171377 -0.00128071
0.01233859 0.00595978 -0.00295368
4.63453776 12.72251317 2.19172122
0.00002071 0.00011818 -0.00000584
-0.01606159 0.00501814 -0.00705530
7.39992885 11.86732221 2.50707143
0.00026303 0.00052314 -0.00028622
-0.03326874 0.03939743 0.02823352
20.60275378 -12.87429884 -10.54094387
0.00125435 0.00027661 0.00031289
-0.02053231 -0.01167812 0.02242425
22.08050722 -13.62844183 -12.79477354
-0.00011905 0.00035057 0.00037828
0.01495228 -0.01226211 -0.01287522
18.08730321 -6.08703643 2.09080157
0.00042308 0.00085865 0.00029435
-0.03697752 -0.01460936 0.01583194
16.09795317 -8.01376151 3.30026465
0.00039164 -0.00020122 0.00011492
-0.00956791 -0.03602504 -0.01133726
14.11992596 8.26176687 10.80787508
0.00015285 -0.00030856 0.00056232
-0.01674503 0.01951201 0.01330523
16.52966138 6.68107215 11.14256255
0.00048167 -0.00047912 -0.00052630
-0.00717100 0.00541176 -0.00206037
2.64199223 -13.10908737 14.89225304
-0.00136360 0.00070727 0.00006562
-0.01265656 -0.02071722 -0.00873560
3.67632382 -12.21146588 17.16676300
-0.00056296 0.00026968 -0.00035876
0.00023663 -0.02658285 0.01304781
-3.39754748 -2.69017579 -10.18775874
-0.00038638 -0.00041659 0.00024800
0.00015009 0.02417802 -0.00026196
-1.99799579 -0.44964987 -11.52265401
-0.00005685 -0.00024054 -0.00015569
0.03725476 0.00445293 -0.02034303
14.81754545 -7.58735288 -11.38146517
0.00039598 -0.00000456 0.00017069
0.02018978 -0.01150195 0.03985034
16.78384850 -6.98223603 -8.85327951
0.00000412 -0.00037417 -0.00031601
0.01041136 0.00990328 -0.01204605
7.18506507 -2.79555437 5.89363217
0.00034179 0.00019088 -0.00161834
-0.00412520 -0.00227355 0.00099133
9.92489438 -3.16036937 4.91005634
-0.00008523 -0.00111570 0.00019793
0.01506959 -0.00116441 -0.01702212
-21.63479696 1.34663087 22.69081147
0.00082309 -0.00080381 -0.00043672
0.00642701 0.00581377 0.02615833
-22.77336413 0.56770329 25.29824064
-0.00081307 -0.00002527 -0.00008555
0.00815883 0.00813358 -0.00880635
25.56443047 -2.91878117 -7.73066396
0.00013567 0.00079507 -0.00022992
-0.00321100 0.00697385 -0.00194759
23.66181983 -0.55245345 -7.11347371
0.00002494 0.00010044 0.00031009
0.00182985 -0.00885294 -0.01090820
11.28817481 -12.85782186 -8.52722537
0.00066166 -0.00023064 -0.00074525
-0.01010325 0.00195628 -0.00781493
12.54603540 -10.36135842 -9.39371108
-0.00033454 -0.00057251 -0.00015987
0.00855249 0.00506060 -0.00445151
-5.32155708 -10.45072127 18.36554613
-0.00022452 0.00006394 0.00034563
-0.02037697 0.00063282 0.01347251
-6.18325261 -9.78947918 15.39401485
0.00075460 -0.00058158 0.00038318
0.00780236 -0.00499889 0.02188203
8.81995582 1.08211410 -31.72582969
0.00092108 0.00051503 -0.00019846
0.01036916 -0.00937132 -0.00451958
6.41817219 2.49969686 -31.24516592
0.00000855 0.00035641 -0.00064762
0.01063410 0.00347894 0.00225979
11.43915232 18.34488119 13.38733134
0.00008925 -0.00060537 -0.00040431
-0.01523117 -0.01573455 0.02082284
12.04370583 15.78541836 14.61692776
-0.00017877 -0.00126447 0.00018438
-0.00800789 0.00958518 0.00050341
30.63597322 5.46344892 -8.10474146
0.00048497 -0.00020524 0.00052457
-0.00337008 0.00278977 0.00180284
28.85750799 7.86426164 -7.21925586
0.00024996 -0.00089670 -0.00040689
0.04690330 -0.02472044 -0.01403200
-8.41662402 4.89281353 5.64461606
-0.00004396 -0.00015114 -0.00002571
0.00896707 0.00590199 0.00734605
-10.75554049 10.14255925 3.43864908
0.00004762 0.00002544 -0.00013173
-0.00048593 -0.00580096 0.00348699
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08254002
0.31048891
413.71090024
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.962 s
total exchange = -52.3605250650 (a.u.)
total exchange computation time: 2.8274159431 s
-154.2622930620
-931.39571077
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.962 s
total exchange = -52.3601241637 (a.u.)
total exchange computation time: 2.8263130188 s
-154.2662342009
Anderson extrapolation: theta=1.3750616135 (1.3750616135)
-931.39597510
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.961 s
total exchange = -52.3594536327 (a.u.)
total exchange computation time: 2.8273789883 s
-154.2722600654
Anderson extrapolation: theta=0.0644946090 (0.0644946090)
-931.39614172
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.963 s
total exchange = -52.3593131876 (a.u.)
total exchange computation time: 2.8266460896 s
-154.2732030782
Anderson extrapolation: theta=2.2316489592 (2.0000000000)
-931.39615101
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.963 s
total exchange = -52.3589957944 (a.u.)
total exchange computation time: 2.8279068470 s
-154.2752262987
Anderson extrapolation: theta=0.3582400869 (0.3582400869)
-931.39616339
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.960 s
total exchange = -52.3588733686 (a.u.)
total exchange computation time: 2.8259689808 s
-154.2759097669
Anderson extrapolation: theta=1.1369259745 (1.1369259745)
-931.39616681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.962 s
total exchange = -52.3587522724 (a.u.)
total exchange computation time: 2.8269851208 s
-154.2764834747
Anderson extrapolation: theta=0.4435835633 (0.4435835633)
-931.39616980
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.962 s
total exchange = -52.3587212609 (a.u.)
total exchange computation time: 2.8268830776 s
-154.2765261626
Anderson extrapolation: theta=0.8382992464 (0.8382992464)
-931.39617089
-256.285868 77.605608 -35.935103
566.275417 1066.848788 -418.897032
309.989549 1144.454396 -454.832134
1269.937658
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 1.963 s
total exchange = -52.3587147627 (a.u.)
total exchange computation time: 2.8276879787 s
678.65498837
-1083.41857564
89.80729372
-389.29987562
-174.78128761
78.12198368
551.60419304
0.00000000
-931.39617154
5.61385386 -31.21451059 -3.78354542
-0.00028610 -0.00014229 0.00016639
-0.03056949 0.01527402 -0.02112522
-11.81018048 -1.01497967 -11.84191962
-0.00019259 -0.00003983 0.00015898
0.00523634 -0.01517229 -0.00157600
-37.99476869 2.33098193 3.37031061
0.00029245 0.00005935 -0.00023765
0.01428763 -0.01575440 0.01537106
-9.61389636 -2.79113484 2.53479476
-0.00065439 0.00008330 -0.00021818
-0.04429027 0.03915253 -0.01225240
0.69502752 -0.21483851 8.98824316
0.00037218 -0.00011231 -0.00000750
-0.00988963 -0.00419286 -0.04111468
-32.38762832 2.74958026 1.81733008
-0.00001677 0.00001659 -0.00017512
-0.03938217 0.01905082 0.01727547
13.96125951 13.63054163 -14.35238246
-0.00001990 0.00036514 -0.00018862
-0.01912984 -0.00333512 -0.01134423
-3.99344792 7.09506357 4.09998703
-0.00042190 0.00005396 -0.00017510
-0.01934384 -0.01611718 0.02998287
5.76573434 16.70608205 -8.49428938
0.00014449 0.00000729 0.00017494
0.01051801 -0.00822525 -0.01996076
6.84387084 7.16678979 -21.04773567
-0.00015466 0.00031802 -0.00002264
-0.01315355 -0.01048791 0.01986163
23.48578350 17.10546411 -2.28274103
-0.00031079 0.00005663 0.00029541
-0.01193038 -0.01011617 0.00926402
1.36396741 12.86970924 -21.03854819
0.00011670 0.00023809 0.00033413
0.00390913 -0.02254133 0.00558728
10.36954232 -3.61892683 -1.72156250
0.00031265 0.00023004 0.00022753
0.00467888 0.06378965 -0.01072851
-17.91807605 -2.66234856 4.68002891
0.00022408 -0.00007441 0.00014116
0.00658576 0.00355298 -0.01621923
-15.27645154 0.12993447 18.62310167
-0.00013418 0.00003685 -0.00010585
0.02284732 -0.00275076 0.00409210
2.77643639 2.75450747 -2.92218840
-0.00012553 0.00007383 0.00013030
-0.00096514 -0.01624193 -0.02395434
23.40291845 -7.79657535 -9.60041597
0.00019287 -0.00029461 -0.00011167
-0.00513087 -0.01552216 -0.00956643
1.40877606 -7.98661188 6.68232200
0.00022429 0.00018572 0.00010990
0.00811739 0.01403099 0.02139703
-3.77970133 -1.19327053 -18.19269316
0.00025560 0.00035765 0.00029641
0.00452425 -0.02242868 0.01485485
3.26298376 4.26656842 -10.68826010
-0.00037989 0.00005743 0.00017432
0.00140063 0.00107915 -0.02140060
-2.67054163 16.86746430 13.89092040
0.00013465 -0.00017511 0.00034144
0.02206604 0.00240756 -0.01553779
-2.25838108 2.05442966 -7.05893268
-0.00015916 0.00003516 -0.00005103
0.01620525 0.04716489 0.01619561
-6.65693443 -2.04299611 -4.41105540
-0.00027548 -0.00002958 -0.00022257
-0.02121874 0.02168505 -0.00033762
0.34627756 28.21450424 7.27180721
-0.00004589 0.00020936 0.00001968
0.01372995 -0.00697811 0.03794781
10.02746005 -9.11768530 -1.46444239
0.00007438 -0.00007198 -0.00000858
0.02362917 -0.01189024 0.01933958
-6.83710199 0.37324112 7.57941861
-0.00013241 0.00023258 -0.00009518
0.01843858 0.00943813 0.01579173
18.63208653 11.73143845 6.33286768
0.00039148 -0.00005599 0.00010435
-0.01026748 0.00889299 -0.02841955
-3.25874283 -3.97315371 -23.29019270
-0.00011207 0.00031413 0.00012442
-0.03292468 0.03278684 -0.00454078
-13.64403141 8.28377866 8.29695977
0.00006414 0.00017121 0.00028890
0.00268513 0.00315282 -0.01253774
-12.04037379 7.51577190 -2.61970902
-0.00041738 -0.00026100 -0.00033258
-0.00908472 -0.03650503 -0.02866115
-3.26690675 -16.25316993 20.43749754
-0.00028444 -0.00015045 0.00015004
-0.00674497 -0.03214103 -0.00670045
-3.23760954 6.91804022 -7.95429965
-0.00046889 0.00015990 0.00026984
-0.01483165 0.04914138 0.02541600
-20.67502998 29.53870647 1.36512993
-0.00008140 0.00018724 -0.00015568
-0.03290588 0.02187491 0.00655280
9.78887126 3.21698705 7.50090950
0.00004505 -0.00018709 -0.00014251
0.02158196 0.04508464 0.03660668
6.37603241 14.48804514 -13.17670831
-0.00001429 0.00023905 0.00055784
-0.00424413 -0.06472198 -0.01393493
14.13534204 3.80036288 -2.84643617
-0.00009193 -0.00000977 0.00003252
0.01728603 0.00262126 -0.02741835
-6.29945101 11.06801138 -0.46588801
0.00007546 -0.00010474 0.00024963
-0.02954917 0.03231270 -0.01058564
6.09473574 13.17751705 3.17038260
0.00026436 0.00023979 -0.00008297
0.04707299 -0.03832596 -0.01402169
21.90063547 -12.27718587 -11.60747114
0.00001376 0.00013932 -0.00036338
0.00921996 0.02833693 -0.00119761
16.67926245 -6.35934075 3.35985595
0.00011365 0.00000030 0.00000620
0.04550934 0.05362277 -0.01362236
15.27439389 7.23576967 9.90212601
0.00014364 -0.00016870 -0.00033353
0.02340326 -0.02586573 -0.01404294
3.05572214 -13.87121750 16.50574601
-0.00011676 0.00008805 -0.00018173
0.01634159 0.04715634 -0.00979753
-3.54745371 -0.87207809 -10.76593941
-0.00001515 -0.00047570 -0.00013495
-0.04104202 -0.03009851 0.01654633
15.36491556 -7.93109413 -9.51617974
0.00012411 0.00016611 -0.00005955
-0.04176477 -0.00204591 -0.03055633
8.87549200 -3.39792541 6.35421073
0.00052978 -0.00046867 0.00013444
-0.01198167 -0.00171578 0.01705474
-21.42951202 1.61284927 24.53682491
-0.00024214 -0.00001648 -0.00011750
-0.01567794 -0.01564352 -0.01928776
24.90839057 -1.71882654 -6.48622446
-0.00001425 -0.00008107 -0.00009748
0.00434730 0.00182417 0.01139897
11.66988280 -11.82913548 -10.00304755
0.00027889 0.00000426 0.00006736
-0.00131613 -0.00963840 -0.00000453
-4.86921027 -10.25516719 16.63004237
0.00005904 -0.00007895 -0.00029401
0.02061536 -0.00800221 -0.02253016
8.12617230 2.28022859 -30.53454918
0.00024086 0.00035769 -0.00052724
-0.02812548 0.00084070 -0.00449729
10.84732696 17.19641473 14.78706983
0.00014883 -0.00033563 -0.00023718
0.02652280 0.00886597 -0.02786556
30.67732371 7.27112962 -7.66860496
-0.00011603 0.00003844 0.00021168
-0.03924936 0.01736050 0.02271490
5.75395829 -30.08314170 -5.28395888
0.00034020 0.00010093 -0.00019623
-0.00072123 -0.01154728 0.01484673
3.90811592 -30.82227296 -3.11137322
0.00017693 -0.00057314 0.00023917
0.02064657 0.00196957 -0.00133288
-12.38606632 -2.06305172 -13.33844993
-0.00043471 0.00102938 -0.00089110
-0.00137181 0.00041395 0.01076773
-11.66794769 0.60527296 -12.65378649
0.00028211 0.00074961 0.00004772
-0.00247078 0.01671270 -0.00284066
-37.89679501 3.69382840 2.19423260
-0.00055238 -0.00002912 0.00095249
-0.01427320 0.01497335 -0.01103866
-39.67004032 1.59328938 3.38188777
-0.00019020 0.00103814 -0.00016456
-0.00243450 0.00423439 -0.00640787
-9.80497956 -3.20801416 0.73803657
0.00044623 -0.00074176 -0.00033428
-0.00816369 0.00002954 0.00481844
-8.21426747 -3.58861622 3.16568410
-0.00049231 0.00048770 0.00118789
0.04848471 -0.03155677 0.01732323
0.09433215 -0.35537781 7.19216934
-0.00037990 -0.00087400 -0.00057884
0.01051407 -0.00096389 0.03241954
1.97260879 1.07122089 8.86841098
-0.00026058 0.00007594 0.00035970
0.00445769 0.00292791 0.00530227
-32.12508080 1.08912512 2.48590449
-0.00056615 -0.00020887 0.00041148
0.00956775 -0.02498788 -0.00268321
-34.22669733 2.97684491 2.26042761
-0.00007766 0.00097870 -0.00046878
0.03217939 -0.00276907 -0.01400525
12.64725340 12.73336343 -15.32003761
0.00162545 0.00046584 0.00025511
0.00719171 0.01030763 0.01098012
15.47496304 13.04014096 -15.17318909
0.00042130 -0.00133489 -0.00037793
0.01063663 -0.00243279 0.00650084
-3.94288004 8.82812367 4.73204354
-0.00025939 -0.00006413 0.00055995
0.00362169 0.00617908 -0.00991282
-3.35548514 6.85285707 2.44733598
-0.00052023 -0.00047751 -0.00166334
0.01275056 0.00516613 -0.01845916
5.88030178 16.18774914 -10.33679886
0.00067769 -0.00066043 0.00100605
0.00067396 0.00546157 0.02823267
7.57105055 16.91578803 -8.00523894
0.00008412 -0.00013597 0.00012912
-0.00797452 -0.00000362 -0.00387278
7.95966651 7.18474332 -22.46770963
-0.00051657 -0.00011537 0.00002931
0.00858043 0.00091444 -0.03024182
8.05412709 7.55218187 -19.75406587
-0.00047140 0.00079702 0.00025777
0.00354145 0.00787894 0.01181130
21.79674746 17.92245142 -2.28085016
-0.00052961 0.00008335 -0.00062737
0.00811495 -0.00941426 0.00365930
24.53098537 18.10540069 -3.33425569
0.00004456 -0.00093202 0.00028145
0.00966465 0.01299238 -0.01375012
1.24361265 11.06873140 -21.58577784
0.00030534 -0.00030338 0.00028566
-0.00776705 0.02253385 0.00156795
0.76862605 14.12606847 -22.22712154
-0.00070870 -0.00039916 -0.00024514
0.00228558 -0.00650185 -0.00756241
9.87304656 -5.28061044 -1.57826328
-0.00063512 -0.00083239 -0.00009057
-0.01636992 -0.05202745 0.00257094
8.91920667 -2.51589880 -2.15348742
0.00042341 0.00059299 -0.00210974
0.01172599 -0.01582223 0.00108187
-18.94329683 -4.09311286 5.14541532
-0.00016534 -0.00021192 0.00080152
-0.00195937 -0.00594538 -0.00051360
-17.15176349 -3.06929463 3.03967474
0.00085297 0.00034310 0.00001280
-0.01385255 -0.00063913 0.01205994
-15.40228735 0.09980853 16.78871292
-0.00034984 0.00040978 -0.00041963
0.00665689 0.00102862 0.00360545
-13.81826148 1.22261569 18.97135875
0.00058423 -0.00051343 0.00002348
-0.01587331 -0.00610289 -0.00532293
3.19172860 3.51726398 -4.55535013
-0.00011899 0.00050531 0.00028391
-0.00723164 0.00664595 0.01687967
3.57668926 1.07554825 -3.23331006
-0.00105002 -0.00044358 0.00003085
-0.00502598 0.02123108 0.01441497
22.81797832 -9.47947703 -10.28067488
-0.00004456 -0.00024827 -0.00027578
0.01500199 0.01833294 0.00793917
24.94498534 -7.88159076 -8.62452669
-0.00077799 0.00026800 -0.00016174
-0.00226586 -0.00287708 -0.00506534
2.22595659 -8.59043453 5.18487852
0.00046903 -0.00112416 0.00119438
0.00638028 -0.00295121 -0.00472605
2.74594196 -7.67477640 7.97793478
-0.00072438 -0.00132037 0.00058799
-0.01596876 -0.00681599 -0.02076352
-4.05919626 -2.90185303 -17.48514283
0.00087477 0.00068703 -0.00045300
0.00860781 0.00868971 -0.01544067
-4.86279544 -0.34449310 -16.94966258
-0.00040172 -0.00027278 0.00005140
-0.00577895 0.00986578 -0.00447145
2.23300038 4.77182602 -12.21765130
0.00003345 -0.00029530 0.00019988
0.00755453 -0.00747044 0.03400202
2.23161669 3.57665999 -9.35498018
-0.00003355 0.00058856 0.00075086
-0.01382981 0.00700700 -0.01018557
-0.92714286 16.16749950 13.34775488
0.00016690 0.00105302 -0.00083342
-0.02461633 -0.00227198 0.00346465
-2.43898183 17.08772691 15.66267907
-0.00032302 0.00016093 -0.00067392
-0.00471710 0.00268840 0.01255699
-1.67990511 1.07123045 -5.71365119
0.00019838 0.00030362 0.00049831
0.00327959 -0.01840315 0.02316511
-2.81089593 0.98616756 -8.36349569
0.00050157 0.00042999 0.00032160
-0.01959739 -0.02977156 -0.02642733
-8.12032322 -2.90492652 -5.11562081
0.00063358 0.00013445 0.00094496
0.00398904 -0.00880810 0.00474753
-7.44364024 -0.37929990 -4.08561853
0.00012604 -0.00028475 0.00030990
0.01519446 -0.00986669 -0.00008787
1.41443318 28.47930720 5.88094448
-0.00067196 -0.00069079 0.00049632
0.01330287 0.00429558 -0.02683757
-1.31018640 28.47470742 6.66124800
0.00119654 -0.00010838 0.00094162
-0.02867320 -0.00268588 -0.01958571
8.36138420 -9.11011258 -2.18536726
0.00001182 0.00022385 -0.00052754
-0.01467059 -0.00426818 0.00089113
10.01741059 -10.06076311 0.17331783
0.00045192 -0.00010145 -0.00019533
-0.00078561 0.01755761 -0.02122455
-5.68518479 0.08341626 9.07549682
-0.00055892 0.00051855 0.00160228
-0.01236693 0.00043010 -0.01170385
-8.42707859 -0.30630140 8.12163179
0.00018218 0.00048781 0.00059751
-0.00667520 -0.00648828 0.00325140
19.84849725 11.33443090 7.56331201
-0.00075919 -0.00034881 0.00063813
0.01797916 -0.00919655 0.03300035
19.56495037 13.00949376 5.41004705
-0.00059204 0.00026304 0.00089859
-0.00407170 0.00126830 -0.00219538
-3.20573231 -2.61440546 -22.06214277
0.00118951 -0.00002224 -0.00155242
0.01049206 -0.00307200 0.01212946
-4.76710762 -3.20555012 -24.21759665
-0.00037434 -0.00039693 0.00026161
0.01546906 -0.02450896 -0.00561767
-12.47858307 9.22093784 9.37854138
-0.00007381 -0.00014304 0.00045568
-0.00188737 -0.00365456 0.00541637
-13.13657751 8.80459481 6.58425650
-0.00019599 -0.00058000 0.00004800
-0.00129384 0.00114728 0.00988439
-12.57646281 7.42499488 -4.42770456
0.00015499 -0.00003626 -0.00009401
-0.00322002 -0.00579791 0.01016369
-11.47337580 9.17791819 -2.52628323
-0.00007553 -0.00026329 -0.00012405
0.01297171 0.04352019 0.00915898
-4.84948915 -17.34159417 20.17628981
-0.00086602 -0.00082885 -0.00066500
0.03087264 0.02021476 -0.00200663
-1.81712473 -17.22007284 19.73283643
-0.00026823 0.00057066 -0.00067792
-0.02534942 0.01289548 0.00762145
-3.62515562 5.50226288 -6.85056150
-0.00031549 -0.00018994 -0.00029635
0.00756154 0.00139442 -0.00599993
-3.57140599 8.52925529 -6.87184853
-0.00013730 -0.00050505 -0.00014541
0.00321286 -0.03810737 -0.02420692
-21.13091030 28.35067915 0.09141736
-0.00057816 -0.00057440 0.00035280
0.00321156 -0.00782590 -0.00337883
-18.95033638 29.32914365 1.71028733
0.00091605 0.00049570 0.00029541
0.03452194 -0.00560587 -0.00394353
8.95299245 2.50893700 6.12157233
-0.00015131 0.00016949 0.00096344
-0.03209599 -0.00819444 -0.02729757
9.10158324 4.98508272 7.90641963
0.00074339 -0.00098682 0.00004365
0.00664103 -0.02851597 -0.00715926
7.03996071 14.83221857 -14.86996100
0.00064977 0.00131830 -0.00032845
-0.00041317 0.00494388 0.00842497
6.22090741 12.52094899 -13.22681492
0.00097676 0.00058177 0.00011694
0.00674023 0.05758441 0.00431863
13.26349439 5.27833986 -3.46608715
0.00045274 -0.00072201 0.00014608
-0.00132690 0.00193149 -0.00603023
13.56522221 3.82017221 -1.16752734
-0.00065684 -0.00157707 0.00089711
-0.01431036 -0.01099272 0.03479777
-5.49032651 9.63887142 0.12851904
0.00043740 0.00002112 -0.00062471
0.02514002 -0.03733179 0.01192489
-8.03828354 10.81639017 0.12024311
0.00027734 -0.00168911 -0.00129025
0.00940445 0.00610691 -0.00171857
4.63435627 12.72443964 2.19141740
-0.00004224 0.00013982 -0.00003293
-0.01475574 0.00557645 -0.00620717
7.40285480 11.87637656 2.50364336
0.00012842 0.00068267 -0.00017141
-0.03262107 0.03869162 0.02796666
20.62093987 -12.87050754 -10.53556344
0.00116402 0.00022600 0.00041018
-0.02368316 -0.01309781 0.02520291
22.07917972 -13.62355908 -12.78949383
-0.00005666 0.00029334 0.00031907
0.01558535 -0.01575011 -0.01611158
18.09251626 -6.07460437 2.09570200
0.00027089 0.00079716 0.00035933
-0.03751777 -0.01549102 0.01597369
16.10353453 -8.01788377 3.30164103
0.00035433 -0.00034543 0.00006787
-0.00869592 -0.03456621 -0.01169565
14.12170563 8.25773638 10.81671763
0.00008914 -0.00023293 0.00061273
-0.01444193 0.01751044 0.01137032
16.53666670 6.67405118 11.13460490
0.00045056 -0.00045612 -0.00053649
-0.00805688 0.00584790 -0.00292527
2.62115042 -13.09911316 14.89296967
-0.00141357 0.00062005 0.00003413
-0.01180328 -0.02197811 -0.00667776
3.66788670 -12.20823524 17.16178149
-0.00056061 0.00016150 -0.00030463
0.00091122 -0.02637153 0.01344486
-3.40333854 -2.69568377 -10.18404684
-0.00038501 -0.00031777 0.00024631
0.00051808 0.02419576 -0.00056377
-1.99770698 -0.45312148 -11.52561280
0.00009394 -0.00022354 -0.00023796
0.03656000 0.00386635 -0.01992722
14.82410380 -7.58777370 -11.37768365
0.00047760 -0.00005058 0.00033104
0.01976482 -0.01102608 0.03864045
16.78422938 -6.98754507 -8.85838883
0.00005121 -0.00033061 -0.00036281
0.01263917 0.01141814 -0.01086059
7.19006550 -2.79276086 5.86938744
0.00033324 0.00017744 -0.00160866
-0.00006063 -0.00430326 0.00374762
9.92407764 -3.17714060 4.91250374
-0.00001654 -0.00112002 0.00012240
0.01855788 -0.00094777 -0.01995265
-21.62225360 1.33475191 22.68506230
0.00084872 -0.00077932 -0.00032620
0.00611547 0.00617524 0.02794122
-22.78531016 0.56757353 25.29668748
-0.00077610 0.00001073 -0.00012397
0.00993699 0.00948746 -0.01000111
25.56636717 -2.90664140 -7.73417243
0.00012449 0.00081948 -0.00024183
-0.00226446 0.00497456 -0.00388345
23.66225007 -0.55121813 -7.10915664
0.00003208 0.00006482 0.00026495
0.00166251 -0.00858194 -0.01118783
11.29779012 -12.86122158 -8.53864359
0.00061840 -0.00022714 -0.00076944
-0.01107379 -0.00024013 -0.00402611
12.54127940 -10.36979098 -9.39624559
-0.00029319 -0.00054100 -0.00017348
0.01168946 0.01036267 -0.00220988
-5.32554930 -10.44974281 18.37114335
-0.00030445 0.00006761 0.00038964
-0.01874974 0.00116429 0.00807109
-6.17169454 -9.79835601 15.40043308
0.00077567 -0.00059801 0.00046280
0.00251337 -0.00304715 0.01709458
8.83408979 1.08955242 -31.72894512
0.00096231 0.00047620 -0.00021758
0.00981193 -0.00963867 -0.00484116
6.41862623 2.50514968 -31.25481105
0.00005561 0.00036957 -0.00063787
0.01240532 0.00296109 0.00251421
11.44002435 18.33531854 13.38190472
0.00002821 -0.00066970 -0.00032004
-0.01465011 -0.01575514 0.02043132
12.04077883 15.76674499 14.61970882
-0.00021472 -0.00121922 0.00018607
-0.00958710 0.01256725 0.00032794
30.64314453 5.46045574 -8.09681774
0.00047145 -0.00019224 0.00053190
-0.00324914 0.00357786 0.00178835
28.86269466 7.85005369 -7.22578921
0.00043472 -0.00099372 -0.00046198
0.04353953 -0.02277386 -0.01293190
-8.41725941 4.89056225 5.64425007
-0.00004071 -0.00014900 -0.00002312
0.00920574 0.00604882 0.00717369
-10.75482696 10.14293074 3.43667916
0.00004750 0.00002407 -0.00013093
-0.00056028 -0.00602884 0.00343813
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08295748
0.31321406
417.34202783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.140 s
total exchange = -52.3663897675 (a.u.)
total exchange computation time: 2.8568859100 s
-154.2876643693
-931.39893576
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.138 s
total exchange = -52.3660342331 (a.u.)
total exchange computation time: 2.8573520184 s
-154.2916477661
Anderson extrapolation: theta=1.3592853307 (1.3592853307)
-931.39918766
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.138 s
total exchange = -52.3654854117 (a.u.)
total exchange computation time: 2.8575229645 s
-154.2974722707
Anderson extrapolation: theta=0.0579753415 (0.0579753415)
-931.39934139
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.139 s
total exchange = -52.3654013905 (a.u.)
total exchange computation time: 2.8571250439 s
-154.2981926986
Anderson extrapolation: theta=2.0869426850 (2.0000000000)
-931.39934834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.141 s
total exchange = -52.3652218160 (a.u.)
total exchange computation time: 2.8568058014 s
-154.2996685948
Anderson extrapolation: theta=0.2835853032 (0.2835853032)
-931.39935659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.139 s
total exchange = -52.3651753732 (a.u.)
total exchange computation time: 2.8553578854 s
-154.3000000593
Anderson extrapolation: theta=1.5218440582 (1.5218440582)
-931.39935847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.140 s
total exchange = -52.3651279667 (a.u.)
total exchange computation time: 2.8611459732 s
-154.3002793746
Anderson extrapolation: theta=0.3455212687 (0.3455212687)
-931.39936046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.138 s
total exchange = -52.3651345737 (a.u.)
total exchange computation time: 2.8580100536 s
-154.3001652434
Anderson extrapolation: theta=1.0758473211 (1.0758473211)
-931.39936104
-256.272166 77.542034 -35.901215
566.293158 1066.815410 -418.882026
310.020991 1144.357444 -454.783241
1269.840451
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1429745809
ExchangeOperator: bisection time: 2.140 s
total exchange = -52.3651582605 (a.u.)
total exchange computation time: 2.7758510113 s
678.75678283
-1083.62030860
89.79020690
-389.16345652
-174.79742781
78.23139213
551.60419304
0.00000000
-931.39936146
5.60944440 -31.21658603 -3.78113111
-0.00030072 -0.00013431 0.00015473
-0.02627674 0.01574957 -0.02418468
-11.81304918 -1.01563566 -11.83954097
-0.00018987 -0.00004619 0.00015707
0.00534444 -0.00954395 -0.00586183
-37.99032687 2.33181137 3.36680508
0.00029933 0.00004991 -0.00022876
0.01247326 -0.02093575 0.01920730
-9.62388304 -2.78973437 2.53147483
-0.00067572 0.00010255 -0.00022418
-0.03866845 0.03571126 -0.01107400
0.70057205 -0.21653931 8.98797211
0.00036606 -0.00011521 -0.00002942
-0.01391752 -0.00710898 -0.04413061
-32.38803173 2.74990263 1.81476993
-0.00003686 0.00002580 -0.00016599
-0.03873943 0.01675634 0.01823896
13.96088726 13.63600593 -14.35525555
-0.00002612 0.00036374 -0.00019428
-0.00506613 -0.00212501 -0.01065806
-3.99985108 7.09581081 4.09747611
-0.00043083 0.00004529 -0.00016240
-0.01536966 -0.01759062 0.01942896
5.76794231 16.70615974 -8.49174229
0.00014986 0.00000320 0.00016558
0.01036266 -0.00770978 -0.01643144
6.84150022 7.17151962 -21.04799862
-0.00016166 0.00031269 -0.00001187
-0.01407405 -0.01025173 0.02199186
23.48107556 17.10627460 -2.27827408
-0.00031761 0.00005124 0.00030051
-0.01457199 -0.01086288 0.01056778
1.36573303 12.87319362 -21.03351463
0.00011849 0.00022603 0.00033637
0.00303815 -0.02434180 0.00309730
10.37425006 -3.61523011 -1.71819096
0.00031332 0.00025996 0.00022188
-0.00206730 0.05253241 -0.01122185
-17.91468943 -2.66345102 4.68208367
0.00022726 -0.00007313 0.00013282
0.00577128 0.00140951 -0.01619925
-15.27837605 0.13047657 18.62152973
-0.00012209 0.00003558 -0.00010425
0.02415822 -0.00217830 0.00210687
2.77454967 2.75555223 -2.92032635
-0.00012613 0.00006540 0.00011803
-0.00134388 -0.01652448 -0.02373113
23.40579167 -7.80105439 -9.60212792
0.00018862 -0.00030241 -0.00011759
-0.01139426 -0.01480219 -0.01344177
1.41217168 -7.98377201 6.68405305
0.00022752 0.00019293 0.00012078
0.00446637 0.01402183 0.02092522
-3.77584989 -1.18799232 -18.18818965
0.00025814 0.00034713 0.00030351
0.00534185 -0.01847218 0.01275387
3.25729088 4.26743397 -10.68572784
-0.00037876 0.00005777 0.00016381
0.00299170 0.00025333 -0.01948043
-2.66843677 16.86484697 13.89598204
0.00014560 -0.00017395 0.00033106
0.02052837 0.00208185 -0.02483489
-2.26070596 2.05513905 -7.05963565
-0.00015010 0.00005973 -0.00004086
0.01903028 0.04836902 0.02336005
-6.66114853 -2.04335617 -4.41439519
-0.00028419 -0.00001781 -0.00022182
-0.01264741 0.02409006 0.00324084
0.34564215 28.21761767 7.27224883
-0.00003697 0.00020508 0.00004170
0.02094680 -0.00963819 0.04767037
10.02866697 -9.11881085 -1.46449646
0.00008613 -0.00007780 0.00000071
0.02205742 -0.01074374 0.01677618
-6.83901706 0.37676617 7.57805177
-0.00012206 0.00023730 -0.00008578
0.02183695 0.00891814 0.02077187
18.63791920 11.73063284 6.33432332
0.00038491 -0.00005222 0.00009000
-0.01531424 0.00576946 -0.02736761
-3.26055083 -3.96831529 -23.28834395
-0.00012893 0.00032895 0.00012038
-0.03266913 0.02482486 -0.01115130
-13.64305888 8.28635895 8.30124489
0.00006522 0.00017247 0.00028246
0.00150287 0.00175495 -0.01251943
-12.04666958 7.51171608 -2.62480824
-0.00042166 -0.00027915 -0.00034663
-0.00755940 -0.03408620 -0.02598775
-3.27119941 -16.25555071 20.43972226
-0.00028895 -0.00016745 0.00014642
-0.01080084 -0.03393901 -0.00737944
-3.24470011 6.92062835 -7.95015406
-0.00047618 0.00018440 0.00028212
-0.01350674 0.04610976 0.02233450
-20.67637791 29.54159937 1.36281999
-0.00009615 0.00019793 -0.00015214
-0.02444782 0.01971693 0.00721914
9.78963020 3.21435467 7.49891299
0.00005759 -0.00016413 -0.00012239
0.02718530 0.04417595 0.04164943
6.37580171 14.49138120 -13.16839447
-0.00001551 0.00020687 0.00054871
-0.00051998 -0.06039613 -0.02158323
14.13402974 3.80022646 -2.84605417
-0.00008280 -0.00001001 0.00002118
0.01821963 -0.00356205 -0.01665368
-6.29843305 11.06656497 -0.46218434
0.00006085 -0.00008782 0.00024379
-0.02726651 0.03345559 -0.01214824
6.09888276 13.18096612 3.16908394
0.00028771 0.00022036 -0.00009029
0.04371006 -0.03725299 -0.01442548
21.90087738 -12.27498680 -11.61292653
0.00001881 0.00015489 -0.00036373
0.01042674 0.03221786 -0.00015012
16.68114280 -6.35912939 3.35989646
0.00013663 0.00002723 -0.00000061
0.04381906 0.05109717 -0.01288772
15.27663882 7.23313934 9.89706894
0.00015508 -0.00018140 -0.00033995
0.02107560 -0.02350049 -0.01091741
3.05403383 -13.86971484 16.50298226
-0.00010880 0.00011234 -0.00018741
0.01457833 0.04731259 -0.01227163
-3.54783927 -0.87932971 -10.76789986
-0.00003582 -0.00049069 -0.00012671
-0.03935733 -0.02819295 0.01549009
15.36661615 -7.92861037 -9.51719092
0.00010230 0.00016457 -0.00007503
-0.04306230 -0.00393600 -0.02963925
8.88339255 -3.40496211 6.35629313
0.00052185 -0.00046898 0.00014311
-0.01886808 0.00053922 0.01664957
-21.43320454 1.61254176 24.53498795
-0.00025045 -0.00002483 -0.00012742
-0.01664111 -0.01682057 -0.01928267
24.90819364 -1.72003555 -6.48764269
-0.00001224 -0.00007970 -0.00009107
0.00344474 0.00350860 0.01352294
11.67406102 -11.82910877 -10.00203710
0.00027767 -0.00000146 0.00006586
-0.00342836 -0.01260513 -0.00585276
-4.86824508 -10.25638234 16.62554525
0.00007067 -0.00008374 -0.00030264
0.02459858 -0.01060092 -0.01102732
8.12967665 2.28559711 -30.54247507
0.00022619 0.00035820 -0.00052953
-0.02891380 0.00114852 -0.00443533
10.84966170 17.19141444 14.78340471
0.00016255 -0.00033185 -0.00025117
0.02684564 0.00583935 -0.02654730
30.67543183 7.27177325 -7.66534219
-0.00013506 0.00004660 0.00022289
-0.03474331 0.01434255 0.02087478
5.75903913 -30.08198155 -5.28644738
0.00033515 0.00005076 -0.00013097
-0.00174830 -0.01301296 0.01709742
3.91140253 -30.83080973 -3.10782656
0.00025514 -0.00056288 0.00023539
0.01763768 0.00305393 -0.00051721
-12.39262906 -2.04759833 -13.35148642
-0.00043939 0.00103032 -0.00084446
-0.00091940 0.00004705 0.01206248
-11.66379176 0.61702931 -12.65315768
0.00027130 0.00080683 0.00004216
-0.00282056 0.01129309 0.00011813
-37.90551806 3.69385040 2.20818162
-0.00060814 0.00004332 0.00089832
-0.01302312 0.02048623 -0.01547800
-39.67296799 1.60899122 3.37922297
-0.00019926 0.00105425 -0.00018938
-0.00199593 0.00365078 -0.00573914
-9.79853633 -3.21913958 0.73317000
0.00041284 -0.00074063 -0.00031198
-0.00817804 0.00052143 0.00609878
-8.22016635 -3.58226774 3.18403335
-0.00030483 0.00036507 0.00125443
0.04328778 -0.02846916 0.01524420
0.08895591 -0.36851737 7.18448017
-0.00033249 -0.00087556 -0.00043800
0.01268982 0.00019902 0.03652125
1.96883661 1.07244969 8.87396894
-0.00023935 0.00009122 0.00037922
0.00593529 0.00455342 0.00425104
-32.13327989 1.08522630 2.49199447
-0.00052869 -0.00030552 0.00039807
0.00876773 -0.02232289 -0.00388293
-34.22687622 2.99144057 2.25296672
0.00005433 0.00096639 -0.00052593
0.03243092 -0.00325777 -0.01397044
12.67185557 12.74066690 -15.31587450
0.00163697 0.00049869 0.00029028
-0.00155381 0.00577339 0.00623633
15.48160846 13.02004310 -15.17865884
0.00045385 -0.00133829 -0.00034296
0.00529509 0.00076544 0.01061561
-3.94665989 8.82735101 4.74013908
-0.00024398 -0.00004073 0.00051669
0.00392219 0.00527940 -0.01126597
-3.36289793 6.84585274 2.42182017
-0.00047703 -0.00045179 -0.00171528
0.00840059 0.00742550 -0.00696601
5.89048774 16.17801007 -10.32084297
0.00067952 -0.00063953 0.00111364
0.00022169 0.00476900 0.02443396
7.57206801 16.91374833 -8.00342088
0.00005276 -0.00013534 0.00011445
-0.00737928 0.00031187 -0.00330748
7.95218093 7.18304084 -22.46819663
-0.00047916 -0.00011151 -0.00009590
0.00973031 0.00097218 -0.03105248
8.04716462 7.56437866 -19.74983745
-0.00045750 0.00082899 0.00030354
0.00326167 0.00776776 0.01059586
21.78905196 17.92341316 -2.29014862
-0.00049374 0.00004378 -0.00061235
0.00944429 -0.00995683 0.00369295
24.53194999 18.09181856 -3.33045529
0.00008683 -0.00087633 0.00022234
0.01102349 0.01426520 -0.01518403
1.24795473 11.06487126 -21.58144488
0.00027388 -0.00020666 0.00029427
-0.00763002 0.02480974 0.00264777
0.75806555 14.11988178 -22.23103033
-0.00069783 -0.00042722 -0.00027317
0.00303865 -0.00723140 -0.00615980
9.86301818 -5.29469055 -1.57954305
-0.00069389 -0.00101800 -0.00008264
-0.01240046 -0.03882860 0.00131149
8.92591713 -2.50748875 -2.18510034
0.00047664 0.00052376 -0.00210218
0.01433208 -0.01806586 0.00261881
-18.94583700 -4.09647388 5.15742233
-0.00016783 -0.00023096 0.00079581
0.00073931 -0.00337352 -0.00228063
-17.13939343 -3.06416776 3.04023630
0.00079314 0.00033946 0.00006496
-0.01543587 -0.00114334 0.01347190
-15.40733095 0.10598679 16.78252902
-0.00032208 0.00041419 -0.00040029
0.00693140 0.00112626 0.00586084
-13.80998446 1.21472723 18.97154787
0.00051661 -0.00053965 0.00000096
-0.01722738 -0.00673212 -0.00570228
3.18972219 3.52504723 -4.55057420
-0.00014788 0.00053126 0.00035318
-0.00691295 0.00606059 0.01702676
3.56078490 1.06954514 -3.23240558
-0.00107020 -0.00035529 0.00008874
-0.00485238 0.02198549 0.01392289
22.81776967 -9.48263935 -10.28456833
0.00001786 -0.00017263 -0.00024265
0.01555195 0.01869552 0.00827732
24.93324598 -7.87765886 -8.62710802
-0.00077548 0.00025464 -0.00017527
0.00349798 -0.00366481 -0.00155466
2.23318751 -8.60738737 5.20264946
0.00049704 -0.00113791 0.00117058
0.00733020 -0.00378083 -0.00692632
2.73458689 -7.69479075 7.98611839
-0.00078390 -0.00134581 0.00050866
-0.01316727 -0.00563754 -0.01807007
-4.04581099 -2.89128128 -17.49241101
0.00090859 0.00071394 -0.00051231
0.00794853 0.00448194 -0.01358965
-4.86899838 -0.34828254 -16.94902857
-0.00042545 -0.00023180 0.00003429
-0.00583411 0.01019409 -0.00390704
2.23373362 4.76716766 -12.21361123
0.00006160 -0.00032469 0.00033645
0.00622471 -0.00691671 0.03285145
2.23068971 3.58570307 -9.34402942
-0.00008993 0.00061738 0.00070835
-0.01377100 0.00710253 -0.01062419
-0.92539367 16.18322524 13.33535971
0.00006651 0.00104260 -0.00081678
-0.02452783 -0.00283133 0.00468393
-2.44397172 17.09022324 15.65295508
-0.00033894 0.00017345 -0.00060598
-0.00307525 0.00344104 0.02069737
-1.67682888 1.07522080 -5.70546662
0.00020884 0.00023317 0.00058577
0.00184035 -0.01608342 0.01964240
-2.80397287 0.99170504 -8.35948148
0.00041850 0.00030107 0.00020595
-0.02106578 -0.03333360 -0.03018502
-8.11069725 -2.90317968 -5.10130094
0.00063453 0.00008961 0.00095674
-0.00352374 -0.01314104 0.00102087
-7.44128398 -0.38387354 -4.08097277
0.00018597 -0.00032135 0.00030972
0.01413885 -0.00804987 0.00000177
1.40476140 28.46907700 5.88756692
-0.00060796 -0.00067122 0.00037443
0.01802405 0.00528105 -0.03283119
-1.29311698 28.47299937 6.67477212
0.00105470 -0.00011583 0.00085334
-0.04075457 -0.00096180 -0.02362617
8.36111200 -9.10688564 -2.19325305
-0.00004435 0.00020540 -0.00052110
-0.01282726 -0.00476451 0.00226010
10.02416535 -10.06174685 0.16973748
0.00044760 -0.00003114 -0.00027967
-0.00132920 0.01686049 -0.02005868
-5.69394754 0.09120768 9.09917236
-0.00061248 0.00052157 0.00154475
-0.01385358 0.00104865 -0.01645608
-8.42455040 -0.29918310 8.13069407
0.00015144 0.00046031 0.00061000
-0.00837543 -0.00697240 0.00286089
19.83766038 11.32891687 7.57389524
-0.00068241 -0.00038655 0.00077536
0.01960312 -0.00927344 0.03417139
19.55594499 13.01347820 5.42345864
-0.00060227 0.00027481 0.00088523
-0.00093674 0.00449310 -0.00434650
-3.18756811 -2.61483322 -22.08505736
0.00123292 -0.00001961 -0.00148960
0.01075777 0.00436212 0.01862242
-4.77224877 -3.21225506 -24.21384461
-0.00031220 -0.00049574 0.00023857
0.01495186 -0.02386142 -0.00566109
-12.47974807 9.21868017 9.38554254
-0.00008005 -0.00015630 0.00047720
-0.00116897 -0.00283521 0.00511821
-13.13955701 8.79592991 6.58527933
-0.00020006 -0.00057381 0.00008863
-0.00069950 0.00188543 0.01000740
-12.57423660 7.42427332 -4.42880330
0.00014000 -0.00006021 -0.00005720
-0.00411701 -0.00592563 0.00785782
-11.47411119 9.17530244 -2.52786337
-0.00002409 -0.00008989 -0.00008664
0.01220589 0.04135879 0.00915746
-4.86153342 -17.35340746 20.16625331
-0.00073556 -0.00074168 -0.00067146
0.03298626 0.02245658 -0.00115621
-1.82192496 -17.21111782 19.72290115
-0.00037069 0.00062215 -0.00064685
-0.02480407 0.01231232 0.00758726
-3.62965624 5.49945649 -6.85519067
-0.00028491 -0.00018495 -0.00031959
0.00740637 0.00104710 -0.00537254
-3.57336701 8.52051179 -6.87477142
-0.00012587 -0.00065430 -0.00023938
0.00238118 -0.03494910 -0.02179415
-21.13948422 28.34182334 0.09660582
-0.00056242 -0.00060347 0.00034273
0.00449170 -0.00640341 -0.00154942
-18.93553779 29.33640734 1.71459759
0.00103749 0.00047430 0.00027414
0.02492634 -0.00486647 -0.00646842
8.94973928 2.51122829 6.13518739
-0.00029015 0.00012922 0.00083927
-0.03586601 -0.01151871 -0.03348315
9.11293760 4.96940668 7.90685493
0.00076655 -0.00109473 0.00001656
0.00469682 -0.02430937 -0.00610128
7.04969463 14.85214463 -14.87462953
0.00064173 0.00133458 -0.00027802
-0.00352373 0.00302179 0.01625717
6.23576538 12.53144016 -13.22492847
0.00100331 0.00081217 0.00013444
0.00625354 0.05519640 0.00424820
13.27024488 5.26756894 -3.46408081
0.00044028 -0.00070308 0.00011861
-0.00477263 0.00733386 -0.00741201
13.55493117 3.79617929 -1.15300440
-0.00071013 -0.00162079 0.00102015
-0.01177969 -0.01040837 0.02543278
-5.48299519 9.63804432 0.11951377
0.00054214 -0.00013340 -0.00057562
0.02613317 -0.03831138 0.01210804
-8.03383526 10.79124058 0.10083665
0.00030937 -0.00166420 -0.00129471
0.00627351 0.00609111 -0.00046223
4.63327046 12.72670787 2.19073317
-0.00009900 0.00016398 -0.00005602
-0.01302606 0.00624593 -0.00509228
7.40378153 11.88780218 2.50192925
-0.00000186 0.00083762 -0.00005862
-0.03115434 0.03715761 0.02724384
20.63767451 -12.86751895 -10.52863843
0.00106323 0.00017049 0.00051692
-0.02565635 -0.01407359 0.02704439
22.07880739 -13.61964160 -12.78520154
0.00000802 0.00022277 0.00024765
0.01607624 -0.01879355 -0.01884519
18.09542998 -6.06312170 2.10158140
0.00011815 0.00073253 0.00042355
-0.03725031 -0.01614388 0.01546263
16.10858294 -8.02412446 3.30230064
0.00032159 -0.00048026 0.00001957
-0.00732691 -0.03143178 -0.01194477
14.12260021 8.25477904 10.82625702
0.00003603 -0.00016652 0.00065412
-0.01155432 0.01499485 0.00888739
16.54317824 6.66738859 11.12646797
0.00041625 -0.00043154 -0.00054982
-0.00873749 0.00618124 -0.00360301
2.59958524 -13.09048590 14.89327705
-0.00145983 0.00052790 0.00001118
-0.01084091 -0.02313197 -0.00456035
3.65950542 -12.20662082 17.15762396
-0.00055528 0.00005521 -0.00024884
0.00169936 -0.02565956 0.01386921
-3.40909785 -2.69970888 -10.18036949
-0.00038214 -0.00021995 0.00024366
0.00088853 0.02368884 -0.00073374
-1.99517755 -0.45635613 -11.52979286
0.00023896 -0.00020972 -0.00031711
0.03442979 0.00290114 -0.01881812
14.83187346 -7.58887028 -11.37153401
0.00055693 -0.00009428 0.00048476
0.01906788 -0.01036682 0.03660632
16.78538486 -6.99215434 -8.86416375
0.00010674 -0.00028145 -0.00040497
0.01454300 0.01264599 -0.00977633
7.19506220 -2.79023108 5.84537238
0.00034083 0.00015574 -0.00158745
0.00377685 -0.00632199 0.00663370
9.92439825 -3.19396993 4.91372832
0.00006458 -0.00112380 0.00003678
0.02115188 -0.00090325 -0.02195615
-21.60933544 1.32325141 22.68102554
0.00087288 -0.00075354 -0.00020991
0.00571175 0.00644357 0.02898420
-22.79664719 0.56802522 25.29452139
-0.00073256 0.00005167 -0.00016677
0.01137637 0.01055228 -0.01094866
25.56816510 -2.89419675 -7.73791890
0.00011730 0.00083567 -0.00026169
-0.00125583 0.00294966 -0.00583611
23.66278220 -0.55050876 -7.10552522
0.00003841 0.00003048 0.00021875
0.00143533 -0.00823046 -0.01142720
11.30672677 -12.86463603 -8.55030856
0.00057118 -0.00023281 -0.00077787
-0.01203815 -0.00253724 -0.00010130
12.53723979 -10.37758845 -9.39891554
-0.00023925 -0.00048818 -0.00017799
0.01471449 0.01549349 0.00000397
-5.33069062 -10.44869299 18.37723521
-0.00037742 0.00007343 0.00041108
-0.01696804 0.00168388 0.00242423
-6.15998243 -9.80741957 15.40789897
0.00077393 -0.00060609 0.00052159
-0.00336570 -0.00090732 0.01168099
8.84882510 1.09640003 -31.73235724
0.00100084 0.00043687 -0.00023742
0.00905018 -0.00961417 -0.00486986
6.41984054 2.51078397 -31.26430209
0.00010913 0.00038066 -0.00062740
0.01379348 0.00246693 0.00261082
11.43999854 18.32479033 13.37773026
-0.00002995 -0.00073313 -0.00023855
-0.01381902 -0.01529821 0.01945794
12.03726428 15.74884181 14.62250997
-0.00025648 -0.00116248 0.00018697
-0.01085328 0.01520552 0.00011047
30.65011672 5.45768183 -8.08878441
0.00045854 -0.00017604 0.00053913
-0.00307079 0.00434926 0.00175226
28.87054970 7.83445003 -7.23311511
0.00060330 -0.00108195 -0.00051206
0.03898026 -0.02041375 -0.01158707
-8.41784537 4.88834345 5.64392261
-0.00003738 -0.00014681 -0.00002058
0.00943060 0.00620796 0.00699723
-10.75411538 10.14328125 3.43472121
0.00004736 0.00002264 -0.00013014
-0.00063468 -0.00625014 0.00338747
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08315643
0.31620503
421.32734945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.131 s
total exchange = -52.3725613310 (a.u.)
total exchange computation time: 2.7380847931 s
-154.3077906607
-931.40159746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.129 s
total exchange = -52.3721555566 (a.u.)
total exchange computation time: 2.7386720181 s
-154.3121967525
Anderson extrapolation: theta=1.3685057640 (1.3685057640)
-931.40184757
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.130 s
total exchange = -52.3715291990 (a.u.)
total exchange computation time: 2.7390768528 s
-154.3186721260
Anderson extrapolation: theta=0.0604080300 (0.0604080300)
-931.40200190
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.217 s
total exchange = -52.3714336307 (a.u.)
total exchange computation time: 2.7379860878 s
-154.3194828849
Anderson extrapolation: theta=2.0732816128 (2.0000000000)
-931.40200924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.220 s
total exchange = -52.3712254729 (a.u.)
total exchange computation time: 2.7375879288 s
-154.3211772874
Anderson extrapolation: theta=0.2715921943 (0.2715921943)
-931.40201813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.309 s
total exchange = -52.3711683425 (a.u.)
total exchange computation time: 2.7394320965 s
-154.3215861769
Anderson extrapolation: theta=1.5334035081 (1.5334035081)
-931.40202015
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.309 s
total exchange = -52.3711006989 (a.u.)
total exchange computation time: 2.7371120453 s
-154.3220112557
Anderson extrapolation: theta=0.3377380855 (0.3377380855)
-931.40202236
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.399 s
total exchange = -52.3710987005 (a.u.)
total exchange computation time: 2.7390921116 s
-154.3219586170
Anderson extrapolation: theta=1.1306842638 (1.1306842638)
-931.40202299
-256.257247 77.473728 -35.865949
566.312403 1066.780780 -418.865365
310.055155 1144.254508 -454.731314
1269.737432
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.401 s
total exchange = -52.3711124678 (a.u.)
total exchange computation time: 2.7371158600 s
678.85664918
-1083.81813081
89.77386538
-389.02982272
-174.81347202
78.33804853
551.60419304
0.00000000
-931.40202346
5.60483223 -31.21853997 -3.77890337
-0.00031300 -0.00012620 0.00014158
-0.02146509 0.01578011 -0.02695852
-11.81587666 -1.01636528 -11.83720755
-0.00018707 -0.00004961 0.00015300
0.00556812 -0.00378082 -0.00997615
-37.98578881 2.33247929 3.36344773
0.00030527 0.00003796 -0.00021806
0.01062049 -0.02555693 0.02242766
-9.63416803 -2.78805840 2.52806946
-0.00069368 0.00011979 -0.00022927
-0.03115882 0.03134465 -0.00871592
0.70600922 -0.21829495 8.98736061
0.00035801 -0.00011956 -0.00005260
-0.01739185 -0.00980223 -0.04602329
-32.38873400 2.75035426 1.81235049
-0.00005637 0.00003365 -0.00015635
-0.03713360 0.01376078 0.01923706
13.96047592 13.64145384 -14.35821086
-0.00002505 0.00036310 -0.00019938
0.00924069 -0.00034598 -0.00915628
-4.00637282 7.09642234 4.09511509
-0.00043777 0.00003591 -0.00015498
-0.01162925 -0.01890095 0.00939967
5.77023023 16.70617796 -8.48932196
0.00015509 -0.00000057 0.00015814
0.00998093 -0.00694762 -0.01250917
6.83902103 7.17617036 -21.04809190
-0.00016894 0.00030748 -0.00000017
-0.01421748 -0.00997583 0.02352947
23.47625521 17.10700130 -2.27372560
-0.00032556 0.00004557 0.00030614
-0.01634622 -0.01120288 0.01129460
1.36752210 12.87649020 -21.02845718
0.00011983 0.00021323 0.00033734
0.00215972 -0.02545190 0.00068431
10.37894185 -3.61112813 -1.71490599
0.00031053 0.00028382 0.00021597
-0.00876927 0.04024933 -0.01178383
-17.91125829 -2.66454260 4.68401347
0.00022994 -0.00007294 0.00012462
0.00467325 -0.00064283 -0.01570215
-15.28011419 0.13100186 18.61997403
-0.00010943 0.00003453 -0.00010367
0.02505020 -0.00188531 0.00015556
2.77265258 2.75646951 -2.91864737
-0.00012700 0.00005692 0.00010602
-0.00205825 -0.01643957 -0.02299919
23.40857699 -7.80564762 -9.60394356
0.00018118 -0.00030972 -0.00012547
-0.01752660 -0.01364328 -0.01720208
1.41560176 -7.98082397 6.68594553
0.00022886 0.00020010 0.00013115
0.00072559 0.01383931 0.01939583
-3.77195724 -1.18285663 -18.18358775
0.00026108 0.00033880 0.00030952
0.00608935 -0.01390219 0.01058917
3.25162107 4.26830149 -10.68334586
-0.00037671 0.00005763 0.00015448
0.00495687 -0.00078401 -0.01680607
-2.66617354 16.86224571 13.90085208
0.00015570 -0.00017295 0.00031604
0.01871836 0.00182341 -0.03355655
-2.26288403 2.05622159 -7.06015840
-0.00013967 0.00008453 -0.00002719
0.02154215 0.04805976 0.02977072
-6.66546020 -2.04353038 -4.41770998
-0.00028840 -0.00000486 -0.00021924
-0.00373165 0.02625363 0.00677318
0.34516834 28.22065675 7.27305822
-0.00002434 0.00019955 0.00006839
0.02819062 -0.01189717 0.05611460
10.03004406 -9.12001927 -1.46442112
0.00009697 -0.00008294 0.00000847
0.02006912 -0.00923720 0.01341099
-6.84076367 0.38036002 7.57684517
-0.00011018 0.00024174 -0.00007391
0.02434331 0.00837119 0.02537450
18.64363373 11.72987175 6.33556782
0.00037604 -0.00005019 0.00007648
-0.01918065 0.00214727 -0.02522010
-3.26261087 -3.96328536 -23.28658124
-0.00014567 0.00033960 0.00011298
-0.03240798 0.01659242 -0.01762077
-13.64207476 8.28895278 8.30543343
0.00006568 0.00017301 0.00027609
0.00028663 0.00033501 -0.01222792
-12.05302369 7.50739729 -2.63010794
-0.00042502 -0.00029561 -0.00035920
-0.00547868 -0.02992218 -0.02287697
-3.27557539 -16.25819333 20.44189005
-0.00029541 -0.00018515 0.00014254
-0.01431213 -0.03490636 -0.00770773
-3.25189488 6.92357220 -7.94583617
-0.00048274 0.00020710 0.00029265
-0.01199952 0.04218119 0.01861354
-20.67791446 29.54464439 1.36056575
-0.00010648 0.00020747 -0.00014827
-0.01573006 0.01737228 0.00783092
9.79059886 3.21206310 7.49723781
0.00007285 -0.00014209 -0.00010017
0.03217049 0.04154071 0.04477392
6.37556700 14.49425133 -13.16024715
-0.00001488 0.00017721 0.00053586
0.00300232 -0.05496970 -0.02835462
14.13285799 3.80006255 -2.84580065
-0.00007322 -0.00001346 0.00001555
0.01904520 -0.00984589 -0.00526899
-6.29762545 11.06537667 -0.45857439
0.00004772 -0.00007076 0.00023734
-0.02379371 0.03288805 -0.01293541
6.10336699 13.18412780 3.16767399
0.00030902 0.00020167 -0.00009775
0.03914637 -0.03542972 -0.01461301
21.90119973 -12.27253917 -11.61838309
0.00002419 0.00017216 -0.00036345
0.01050855 0.03494476 0.00126120
16.68336121 -6.35852383 3.35983755
0.00015841 0.00005243 -0.00000691
0.04091174 0.04689765 -0.01159792
15.27904634 7.23032771 9.89192764
0.00016516 -0.00019276 -0.00034470
0.01809934 -0.02067104 -0.00758158
3.05245799 -13.86784719 16.50012383
-0.00010181 0.00013656 -0.00019436
0.01261877 0.04684752 -0.01477607
-3.54852846 -0.88679883 -10.76974082
-0.00005530 -0.00050448 -0.00011921
-0.03637478 -0.02540685 0.01369711
15.36798451 -7.92615696 -9.51843075
0.00008001 0.00016212 -0.00008977
-0.04360888 -0.00560416 -0.02766143
8.89114753 -3.41199466 6.35850397
0.00051064 -0.00046812 0.00015134
-0.02474691 0.00280394 0.01536526
-21.43702545 1.61210448 24.53300224
-0.00025914 -0.00003368 -0.00013721
-0.01717038 -0.01760799 -0.01878845
24.90802329 -1.72121749 -6.48895659
-0.00001069 -0.00007750 -0.00008359
0.00258638 0.00505692 0.01556906
11.67821280 -11.82917931 -10.00107181
0.00027542 -0.00000860 0.00006138
-0.00530096 -0.01514001 -0.01155910
-4.86709012 -10.25767927 16.62096306
0.00008444 -0.00008987 -0.00030524
0.02893591 -0.01326260 0.00093395
8.13295794 2.29097449 -30.55043517
0.00021127 0.00035878 -0.00053183
-0.02910679 0.00110508 -0.00449495
10.85220355 17.18645921 14.77953479
0.00017630 -0.00032965 -0.00026432
0.02660533 0.00273802 -0.02460372
30.67327192 7.27252753 -7.66191837
-0.00015145 0.00005310 0.00023308
-0.02899791 0.01094860 0.01878302
5.76401281 -30.08161891 -5.28788804
0.00032597 -0.00000468 -0.00005764
-0.00274527 -0.01412445 0.01880057
3.91577009 -30.83915934 -3.10431160
0.00031994 -0.00054799 0.00023539
0.01408358 0.00423226 0.00051894
-12.39924815 -2.03214205 -13.36378364
-0.00044229 0.00102963 -0.00079278
-0.00050011 -0.00038436 0.01323310
-11.65980869 0.62947776 -12.65252162
0.00025893 0.00084178 0.00004855
-0.00323435 0.00581854 0.00300661
-37.91503924 3.69512793 2.22118206
-0.00065879 0.00013727 0.00082721
-0.01176957 0.02550477 -0.01932828
-39.67601799 1.62491681 3.37620645
-0.00020635 0.00106787 -0.00021135
-0.00147447 0.00301712 -0.00501903
-9.79259430 -3.23023305 0.72867719
0.00037939 -0.00073752 -0.00028466
-0.00819794 0.00099951 0.00727210
-8.22341228 -3.57766403 3.20331685
-0.00014248 0.00025707 0.00131023
0.03618392 -0.02440036 0.01207494
0.08435737 -0.38164473 7.17902925
-0.00027692 -0.00087246 -0.00028272
0.01451120 0.00131963 0.03949175
1.96542818 1.07395755 8.87978744
-0.00021241 0.00011296 0.00039463
0.00725571 0.00608768 0.00329466
-32.14094164 1.07995939 2.49784649
-0.00049467 -0.00039010 0.00037920
0.00788528 -0.01907783 -0.00535048
-34.22506754 3.00583657 2.24464963
0.00018553 0.00095234 -0.00058251
0.03179609 -0.00361995 -0.01372350
12.69636251 12.74832419 -15.31132918
0.00161158 0.00051183 0.00030481
-0.01087407 0.00065636 0.00087512
15.48857841 12.99999216 -15.18347801
0.00046519 -0.00132861 -0.00029171
0.00025832 0.00397256 0.01447553
-3.95019937 8.82690191 4.74754416
-0.00022742 -0.00002107 0.00046804
0.00418172 0.00434029 -0.01254847
-3.36979589 6.83930348 2.39587745
-0.00045090 -0.00041710 -0.00172136
0.00438557 0.00955244 0.00399360
5.90068728 16.16856327 -10.30338960
0.00067957 -0.00062200 0.00120410
-0.00019335 0.00381360 0.01984567
7.57263323 16.91172775 -8.00180552
0.00002424 -0.00013336 0.00010224
-0.00657888 0.00065816 -0.00266813
7.94529168 7.18139794 -22.47058673
-0.00043827 -0.00010739 -0.00022260
0.01028634 0.00104377 -0.03096563
8.04040205 7.57705150 -19.74495965
-0.00044511 0.00086033 0.00034368
0.00280196 0.00757207 0.00905213
21.78193526 17.92376468 -2.29922076
-0.00045293 0.00000228 -0.00059725
0.01053046 -0.01035362 0.00370132
24.53359020 18.07911069 -3.32758546
0.00013345 -0.00081657 0.00015851
0.01179621 0.01498744 -0.01606310
1.25182919 11.06253162 -21.57694966
0.00024295 -0.00010204 0.00030692
-0.00751468 0.02640124 0.00354354
0.74769128 14.11325191 -22.23531662
-0.00068377 -0.00045823 -0.00029528
0.00384078 -0.00795098 -0.00466553
9.85222983 -5.31115032 -1.58074244
-0.00073561 -0.00114830 -0.00007973
-0.00801968 -0.02495637 0.00011387
8.93350596 -2.50018588 -2.21655277
0.00053960 0.00044609 -0.00208836
0.01648555 -0.01995803 0.00414384
-18.94833186 -4.10004165 5.16928956
-0.00015934 -0.00023950 0.00078294
0.00341840 -0.00080908 -0.00401963
-17.12796938 -3.05911096 3.04162350
0.00072739 0.00033360 0.00012182
-0.01674675 -0.00172479 0.01436119
-15.41194976 0.11223408 16.77670431
-0.00029330 0.00041893 -0.00037211
0.00715746 0.00119575 0.00793016
-13.80276325 1.20642619 18.97138752
0.00044437 -0.00056778 -0.00002283
-0.01813595 -0.00703774 -0.00594352
3.18729211 3.53320192 -4.54475476
-0.00017528 0.00055512 0.00042224
-0.00649988 0.00561673 0.01678001
3.54458316 1.06488943 -3.23064782
-0.00108917 -0.00026499 0.00014433
-0.00443173 0.02222061 0.01328984
22.81851414 -9.48465589 -10.28795449
0.00008210 -0.00009656 -0.00020855
0.01589446 0.01854069 0.00841424
24.92172100 -7.87395156 -8.62978464
-0.00074923 0.00023819 -0.00017420
0.00935108 -0.00438739 0.00207599
2.24086767 -8.62457193 5.21999592
0.00052829 -0.00115474 0.00113879
0.00796857 -0.00445716 -0.00863280
2.72242484 -7.71515059 7.99319455
-0.00083118 -0.00136635 0.00044150
-0.00997571 -0.00442036 -0.01480363
-4.03193859 -2.88043485 -17.50051205
0.00093960 0.00072276 -0.00056364
0.00722968 -0.00016203 -0.01153718
-4.87555888 -0.35144722 -16.94863401
-0.00044913 -0.00018987 0.00001922
-0.00575941 0.01033351 -0.00346646
2.23484836 4.76208541 -12.20755782
0.00008327 -0.00035107 0.00046618
0.00438513 -0.00599655 0.03065101
2.22891875 3.59518143 -9.33372977
-0.00014616 0.00064663 0.00066402
-0.01375320 0.00721339 -0.01107551
-0.92514770 16.19877746 13.32325160
-0.00003287 0.00102976 -0.00079529
-0.02411692 -0.00345131 0.00583301
-2.44915008 17.09293047 15.64449955
-0.00034828 0.00018904 -0.00050574
-0.00149751 0.00418706 0.02837224
-1.67363985 1.07822546 -5.69607824
0.00021284 0.00017305 0.00065748
0.00011515 -0.01334247 0.01546243
-2.79834084 0.99519963 -8.35731720
0.00033067 0.00015986 0.00007775
-0.02193057 -0.03579162 -0.03257181
-8.10128723 -2.90223821 -5.08691851
0.00060439 0.00002666 0.00095351
-0.01123291 -0.01767552 -0.00260467
-7.43806121 -0.38894052 -4.07632690
0.00024113 -0.00034977 0.00031008
0.01286576 -0.00585787 0.00017474
1.39619424 28.45917046 5.89217726
-0.00052636 -0.00064823 0.00023018
0.02192174 0.00597531 -0.03777835
-1.27854526 28.47123238 6.68684828
0.00086531 -0.00011658 0.00074936
-0.05195667 0.00059830 -0.02727304
8.36005368 -9.10395071 -2.20100032
-0.00009228 0.00018492 -0.00050883
-0.01063519 -0.00526052 0.00374923
10.03083864 -10.06169727 0.16492781
0.00044110 0.00003558 -0.00035788
-0.00185099 0.01580066 -0.01822799
-5.70355933 0.09906336 9.12183936
-0.00067115 0.00052686 0.00146880
-0.01486538 0.00154244 -0.02072104
-8.42253550 -0.29249211 8.13993167
0.00011454 0.00043115 0.00062063
-0.00968761 -0.00729914 0.00234491
19.82802490 11.32283451 7.58657271
-0.00060133 -0.00042371 0.00091493
0.02008705 -0.00891884 0.03415004
19.54688220 13.01773801 5.43660385
-0.00059970 0.00029985 0.00086329
0.00219528 0.00776437 -0.00639184
-3.16874462 -2.61499364 -22.10683065
0.00127769 0.00001367 -0.00140064
0.01115644 0.01192692 0.02492328
-4.77647358 -3.22042237 -24.21043952
-0.00025196 -0.00059156 0.00021572
0.01453703 -0.02304000 -0.00552605
-12.48098471 9.21624876 9.39285737
-0.00008345 -0.00016627 0.00049742
-0.00049072 -0.00204198 0.00477829
-13.14257938 8.78738056 6.58691547
-0.00020158 -0.00056450 0.00012931
-0.00004393 0.00267104 0.00990269
-12.57226271 7.42318861 -4.42942046
0.00012128 -0.00008452 -0.00003032
-0.00504764 -0.00597545 0.00529936
-11.47409854 9.17522140 -2.52888229
0.00002290 0.00007112 -0.00004959
0.01079564 0.03745631 0.00897551
-4.87155609 -17.36384446 20.15614594
-0.00059658 -0.00064604 -0.00067444
0.03504753 0.02435936 -0.00030145
-1.82824533 -17.20140822 19.71343086
-0.00046946 0.00067091 -0.00061635
-0.02354721 0.01155558 0.00734596
-3.63370295 5.49671428 -6.86014911
-0.00025496 -0.00018157 -0.00034022
0.00725485 0.00060781 -0.00472853
-3.57518210 8.50962640 -6.87902999
-0.00011817 -0.00078868 -0.00032216
0.00138786 -0.03083235 -0.01872619
-21.14778285 28.33257508 0.10169932
-0.00054144 -0.00062640 0.00034031
0.00577891 -0.00482093 0.00036324
-18.91921156 29.34337278 1.71851144
0.00111917 0.00045597 0.00024242
0.01505444 -0.00410951 -0.00905479
8.94428801 2.51281364 6.14675039
-0.00044255 0.00007701 0.00069320
-0.03873772 -0.01403670 -0.03801626
9.12457982 4.95224080 7.90691631
0.00078118 -0.00118365 -0.00000567
0.00246550 -0.01921867 -0.00478002
7.05921260 14.87225589 -14.87830171
0.00062162 0.00134318 -0.00019738
-0.00631847 0.00119009 0.02321641
6.25100660 12.54531412 -13.22278166
0.00102772 0.00103015 0.00015159
0.00569577 0.05150768 0.00414660
13.27670287 5.25724749 -3.46252872
0.00041391 -0.00066226 0.00008565
-0.00813858 0.01264496 -0.00872405
13.54391819 3.77154849 -1.13692278
-0.00075262 -0.00166156 0.00110376
-0.00901627 -0.00955094 0.01549147
-5.47406226 9.63486927 0.11125056
0.00064866 -0.00028806 -0.00052734
0.02600813 -0.03739383 0.01152102
-8.02900249 10.76646430 0.08140186
0.00032840 -0.00163965 -0.00129405
0.00304236 0.00592584 0.00078268
4.63138633 12.72935890 2.18973685
-0.00014797 0.00019103 -0.00007413
-0.01094794 0.00699639 -0.00377333
7.40279893 11.90150504 2.50188482
-0.00012440 0.00098454 0.00005023
-0.02883003 0.03476111 0.02603666
20.65283677 -12.86539288 -10.52005597
0.00095700 0.00011202 0.00062893
-0.02634220 -0.01454587 0.02778927
22.07942031 -13.61687589 -12.78206421
0.00007440 0.00014105 0.00016648
0.01641952 -0.02121040 -0.02089163
18.09606077 -6.05262842 2.10840845
-0.00003183 0.00066574 0.00048436
-0.03616787 -0.01655018 0.01430289
16.11318231 -8.03229148 3.30222819
0.00029528 -0.00059931 -0.00002953
-0.00555149 -0.02684368 -0.01208903
14.12278666 8.25274067 10.83634109
-0.00000442 -0.00011114 0.00068448
-0.00824914 0.01211489 0.00597519
16.54915429 6.66110484 11.11811022
0.00037963 -0.00040584 -0.00056551
-0.00918838 0.00640050 -0.00407630
2.57735566 -13.08327631 14.89330493
-0.00150197 0.00043132 -0.00000315
-0.00979051 -0.02414179 -0.00245258
3.65122829 -12.20657897 17.15431642
-0.00054654 -0.00004719 -0.00019127
0.00258008 -0.02446524 0.01431131
-3.41480270 -2.70228219 -10.17673711
-0.00037775 -0.00012526 0.00024060
0.00125782 0.02266290 -0.00076266
-1.99053805 -0.45941299 -11.53512621
0.00037268 -0.00020052 -0.00039046
0.03102508 0.00159930 -0.01708526
14.84081171 -7.59060219 -11.36314091
0.00063282 -0.00013492 0.00062833
0.01808140 -0.00952609 0.03367420
16.78743163 -6.99598858 -8.87053782
0.00016920 -0.00022797 -0.00044298
0.01603275 0.01353164 -0.00883293
7.20029038 -2.78808876 5.82176388
0.00036344 0.00012605 -0.00155457
0.00729355 -0.00821150 0.00945982
9.92601518 -3.21085460 4.91360729
0.00015491 -0.00112769 -0.00005527
0.02306118 -0.00100265 -0.02310496
-21.59606723 1.31214581 22.67876512
0.00089524 -0.00072686 -0.00009090
0.00523310 0.00661307 0.02927106
-22.80728700 0.56912362 25.29168430
-0.00068387 0.00009635 -0.00021292
0.01246072 0.01131869 -0.01164051
25.56988606 -2.88157133 -7.74202304
0.00011427 0.00084368 -0.00028940
-0.00022740 0.00097273 -0.00773005
23.66340229 -0.55030380 -7.10259413
0.00004368 -0.00000226 0.00017165
0.00114513 -0.00779435 -0.01162710
11.31492564 -12.86820597 -8.56197973
0.00052010 -0.00024789 -0.00077025
-0.01296660 -0.00484367 0.00383042
12.53410199 -10.38443638 -9.40158524
-0.00017348 -0.00041526 -0.00017371
0.01747734 0.02019974 0.00208882
-5.33687184 -10.44753998 18.38347564
-0.00044290 0.00008128 0.00040947
-0.01508681 0.00216191 -0.00320892
-6.14847660 -9.81653875 15.41608074
0.00074725 -0.00060515 0.00055724
-0.00969576 0.00137004 0.00577074
8.86411506 1.10265842 -31.73606782
0.00103583 0.00039823 -0.00025678
0.00807854 -0.00929822 -0.00460683
6.42190021 2.51656946 -31.27363312
0.00016749 0.00038979 -0.00061688
0.01477123 0.00200172 0.00253972
11.43912581 18.31332455 13.37474829
-0.00008420 -0.00079373 -0.00016223
-0.01273811 -0.01436383 0.01790157
12.03308457 15.73187053 14.62531790
-0.00030273 -0.00109578 0.00018689
-0.01178707 0.01744534 -0.00014802
30.65690071 5.45517447 -8.08064369
0.00044647 -0.00015679 0.00054616
-0.00283902 0.00507522 0.00168685
28.88079370 7.81759528 -7.24115113
0.00075058 -0.00115967 -0.00055612
0.03311329 -0.01763406 -0.00998086
-8.41838069 4.88615798 5.64363270
-0.00003396 -0.00014456 -0.00001810
0.00963647 0.00637845 0.00683202
-10.75340602 10.14361000 3.43277506
0.00004721 0.00002117 -0.00012936
-0.00069827 -0.00646804 0.00333508
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08284522
0.31917824
425.28900553
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.220 s
total exchange = -52.3789313748 (a.u.)
total exchange computation time: 2.7402930260 s
-154.3269325341
-931.40443809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.219 s
total exchange = -52.3784230255 (a.u.)
total exchange computation time: 2.7369890213 s
-154.3319497461
Anderson extrapolation: theta=1.3526033366 (1.3526033366)
-931.40467977
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.221 s
total exchange = -52.3776290176 (a.u.)
total exchange computation time: 2.7397999763 s
-154.3393636632
Anderson extrapolation: theta=0.0550754025 (0.0550754025)
-931.40482513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.224 s
total exchange = -52.3775000738 (a.u.)
total exchange computation time: 2.7380840778 s
-154.3403258958
Anderson extrapolation: theta=1.9559727910 (1.9559727910)
-931.40483107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.219 s
total exchange = -52.3772196942 (a.u.)
total exchange computation time: 2.7395551205 s
-154.3423270528
Anderson extrapolation: theta=0.2264423867 (0.2264423867)
-931.40483767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.220 s
total exchange = -52.3771466610 (a.u.)
total exchange computation time: 2.7380099297 s
-154.3427695342
Anderson extrapolation: theta=1.7877361962 (1.7877361962)
-931.40483902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.131 s
total exchange = -52.3770341126 (a.u.)
total exchange computation time: 2.7395720482 s
-154.3433664647
Anderson extrapolation: theta=0.2829055526 (0.2829055526)
-931.40484070
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.130 s
total exchange = -52.3770215188 (a.u.)
total exchange computation time: 2.7372970581 s
-154.3433489088
Anderson extrapolation: theta=1.3021453757 (1.3021453757)
-931.40484114
-256.240531 77.405781 -35.833502
566.332668 1066.745559 -418.847212
310.092137 1144.151340 -454.680715
1269.635370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 3.132 s
total exchange = -52.3770201581 (a.u.)
total exchange computation time: 2.7392151356 s
678.95227988
-1084.00634714
89.75758907
-388.90271116
-174.82863204
78.43978341
551.60419304
0.00000000
-931.40484155
5.60005446 -31.22037217 -3.77688362
-0.00032269 -0.00011820 0.00012710
-0.01621116 0.01536641 -0.02935012
-11.81866117 -1.01712406 -11.83495108
-0.00018413 -0.00005010 0.00014688
0.00586159 0.00190732 -0.01381783
-37.98116883 2.33295005 3.36026340
0.00031025 0.00002385 -0.00020591
0.00875445 -0.02928905 0.02478807
-9.64469340 -2.78614061 2.52459686
-0.00070745 0.00013463 -0.00023289
-0.02238250 0.02636541 -0.00536224
0.71131221 -0.22012621 8.98639406
0.00034833 -0.00012521 -0.00007649
-0.02023995 -0.01216397 -0.04688178
-32.38972274 2.75091206 1.81007945
-0.00007481 0.00003981 -0.00014621
-0.03456617 0.01021388 0.02018481
13.96013586 13.64689908 -14.36123681
-0.00001666 0.00036351 -0.00020351
0.02335964 0.00193515 -0.00690867
-4.01298427 7.09688806 4.09282658
-0.00044287 0.00002591 -0.00015251
-0.00820346 -0.01999463 0.00024134
5.77259514 16.70614258 -8.48699814
0.00016007 -0.00000389 0.00015286
0.00937196 -0.00596981 -0.00801409
6.83643216 7.18074413 -21.04800366
-0.00017609 0.00030243 0.00001216
-0.01360277 -0.00966876 0.02440462
23.47130876 17.10764156 -2.26908998
-0.00033419 0.00003983 0.00031198
-0.01719645 -0.01111786 0.01143320
1.36932783 12.87959044 -21.02339445
0.00012071 0.00020002 0.00033710
0.00128336 -0.02589926 -0.00161022
10.38356599 -3.60671563 -1.71171192
0.00030439 0.00030130 0.00020975
-0.01513014 0.02775380 -0.01240265
-17.90779109 -2.66563915 4.68582213
0.00023201 -0.00007375 0.00011679
0.00335913 -0.00252622 -0.01473941
-15.28165907 0.13151261 18.61841954
-0.00009643 0.00003357 -0.00010407
0.02550150 -0.00186872 -0.00169500
2.77073961 2.75725997 -2.91714583
-0.00012833 0.00004859 0.00009451
-0.00308904 -0.01596192 -0.02173459
23.41122710 -7.81034611 -9.60589191
0.00017069 -0.00031633 -0.00013521
-0.02326775 -0.01205273 -0.02069875
1.41903743 -7.97776916 6.68798764
0.00022828 0.00020711 0.00014046
-0.00298160 0.01344520 0.01679364
-3.76801762 -1.17782818 -18.17890415
0.00026437 0.00033296 0.00031440
0.00673618 -0.00883234 0.00839806
3.24598951 4.26916295 -10.68109353
-0.00037360 0.00005692 0.00014667
0.00713664 -0.00200146 -0.01353517
-2.66376591 16.85965851 13.90546324
0.00016479 -0.00017205 0.00029681
0.01665017 0.00168667 -0.04122743
-2.26489591 2.05767490 -7.06045148
-0.00012807 0.00010877 -0.00001055
0.02356043 0.04620003 0.03495996
-6.66980066 -2.04350205 -4.42097252
-0.00028796 0.00000908 -0.00021496
0.00547629 0.02796314 0.00987189
0.34491201 28.22360404 7.27430051
-0.00000815 0.00019300 0.00009890
0.03475405 -0.01357155 0.06255127
10.03157597 -9.12129896 -1.46424230
0.00010669 -0.00008721 0.00001432
0.01775308 -0.00737865 0.00932820
-6.84232248 0.38401846 7.57583432
-0.00009725 0.00024589 -0.00005978
0.02593718 0.00777505 0.02957793
18.64920028 11.72912722 6.33661775
0.00036551 -0.00005012 0.00006433
-0.02176009 -0.00186817 -0.02202258
-3.26492093 -3.95812742 -23.28495446
-0.00016218 0.00034598 0.00010247
-0.03177709 0.00822651 -0.02326753
-13.64108843 8.29154919 8.30952763
0.00006551 0.00017282 0.00026995
-0.00094913 -0.00106208 -0.01165772
-12.05942006 7.50284766 -2.63558414
-0.00042715 -0.00030959 -0.00037005
-0.00281638 -0.02442531 -0.01931110
-3.28006179 -16.26110523 20.44399838
-0.00030363 -0.00020314 0.00013859
-0.01764818 -0.03506028 -0.00765017
-3.25918223 6.92684146 -7.94137468
-0.00048847 0.00022753 0.00030109
-0.01029617 0.03726594 0.01420515
-20.67957236 29.54782343 1.35837192
-0.00011238 0.00021578 -0.00014411
-0.00720119 0.01493059 0.00835545
9.79181571 3.21009199 7.49590804
0.00009045 -0.00012190 -0.00007693
0.03625102 0.03695340 0.04558648
6.37535545 14.49669739 -13.15231857
-0.00001251 0.00015065 0.00051981
0.00621259 -0.04830079 -0.03409224
14.13183318 3.79982269 -2.84558778
-0.00006327 -0.00002013 0.00001571
0.01964101 -0.01609582 0.00592062
-6.29700141 11.06444208 -0.45506424
0.00003666 -0.00005443 0.00023067
-0.01922766 0.03063400 -0.01297881
6.10815322 13.18701615 3.16615130
0.00032767 0.00018413 -0.00010523
0.03339619 -0.03275674 -0.01445979
21.90160316 -12.26982195 -11.62382991
0.00002933 0.00019049 -0.00036235
0.00946610 0.03632195 0.00298481
16.68589523 -6.35755646 3.35968916
0.00017842 0.00007511 -0.00001240
0.03688500 0.04128793 -0.00974843
15.28159348 7.22735661 9.88672785
0.00017357 -0.00020258 -0.00034773
0.01463656 -0.01751089 -0.00418175
3.05097950 -13.86561812 16.49715141
-0.00009587 0.00016036 -0.00020259
0.01047630 0.04571581 -0.01722139
-3.54949827 -0.89446396 -10.77147610
-0.00007296 -0.00051662 -0.00011279
-0.03229049 -0.02181013 0.01125132
15.36901646 -7.92374680 -9.51988398
0.00005766 0.00015887 -0.00010318
-0.04329330 -0.00702247 -0.02449846
8.89871161 -3.41900558 6.36083335
0.00049671 -0.00046610 0.00015868
-0.02941205 0.00503200 0.01316053
-21.44097881 1.61153135 24.53087158
-0.00026800 -0.00004283 -0.00014662
-0.01726229 -0.01796993 -0.01779819
24.90787289 -1.72236042 -6.49015037
-0.00000957 -0.00007455 -0.00007510
0.00179314 0.00640240 0.01744881
11.68232367 -11.82936665 -10.00019569
0.00027231 -0.00001688 0.00005406
-0.00679953 -0.01708638 -0.01689595
-4.86571193 -10.25907852 16.61638807
0.00010049 -0.00009737 -0.00030167
0.03346674 -0.01588807 0.01294691
8.13601468 2.29636040 -30.55842994
0.00019641 0.00035925 -0.00053418
-0.02865424 0.00072630 -0.00464743
10.85495065 17.18152509 14.77547505
0.00018977 -0.00032905 -0.00027632
0.02576754 -0.00040642 -0.02204136
30.67088829 7.27336627 -7.65834965
-0.00016454 0.00005777 0.00024214
-0.02190232 0.00722421 0.01643559
5.76881825 -30.08212191 -5.28817648
0.00031283 -0.00006386 0.00002161
-0.00368631 -0.01484413 0.01999118
3.92100078 -30.84724956 -3.10076484
0.00036926 -0.00052816 0.00024005
0.01005920 0.00547867 0.00176003
-12.40589790 -2.01670933 -13.37526985
-0.00044355 0.00102706 -0.00073660
-0.00011215 -0.00087718 0.01426839
-11.65602384 0.64228282 -12.65170130
0.00024479 0.00085468 0.00006638
-0.00368671 0.00049450 0.00572277
-37.92528174 3.69796854 2.23299794
-0.00070433 0.00025006 0.00074207
-0.01052463 0.02970604 -0.02234637
-39.67915835 1.64102730 3.37288232
-0.00021117 0.00107879 -0.00023030
-0.00088860 0.00232660 -0.00425676
-9.78715469 -3.24126527 0.72463006
0.00034587 -0.00073249 -0.00025280
-0.00820809 0.00146544 0.00832536
-8.22444063 -3.57455572 3.22334039
-0.00001181 0.00016697 0.00135134
0.02777925 -0.01970199 0.00804647
0.08064817 -0.39469121 7.17599863
-0.00021467 -0.00086493 -0.00011756
0.01596081 0.00236553 0.04135270
1.96246443 1.07583850 8.88580785
-0.00018064 0.00014045 0.00040625
0.00829338 0.00737103 0.00239118
-32.14812013 1.07352327 2.50337059
-0.00046436 -0.00046056 0.00035394
0.00695202 -0.01541245 -0.00701741
-34.22131020 3.02001072 2.23549148
0.00031237 0.00093710 -0.00063766
0.03029004 -0.00383903 -0.01327376
12.72020301 12.75602172 -15.30673024
0.00154752 0.00050319 0.00029653
-0.02048590 -0.00488625 -0.00492979
15.49556418 12.98018467 -15.18741003
0.00045691 -0.00130602 -0.00022543
-0.00430934 0.00708885 0.01796679
-3.95348257 8.82671881 4.75418020
-0.00020989 -0.00000529 0.00041432
0.00440039 0.00338377 -0.01374596
-3.37642507 6.83333966 2.37017947
-0.00044029 -0.00037415 -0.00168447
0.00081027 0.01147219 0.01406353
5.91087497 16.15935020 -10.28471997
0.00067802 -0.00060884 0.00127459
-0.00056637 0.00262517 0.01465788
7.57279525 16.90974750 -8.00035368
-0.00000069 -0.00012990 0.00009281
-0.00562540 0.00103768 -0.00194829
7.93903285 7.17981901 -22.47487459
-0.00039637 -0.00010295 -0.00034702
0.01022479 0.00113141 -0.02994158
8.03381120 7.59018841 -19.73952708
-0.00043489 0.00089070 0.00037695
0.00220431 0.00729817 0.00723544
21.77546394 17.92348167 -2.30806605
-0.00040835 -0.00004049 -0.00058210
0.01129309 -0.01058374 0.00371246
24.53595336 18.06732134 -3.32570007
0.00018188 -0.00075504 0.00009234
0.01191156 0.01513291 -0.01632447
1.25524310 11.06181002 -21.57223726
0.00021244 0.00000769 0.00032286
-0.00741740 0.02731517 0.00425801
0.73755240 14.10613475 -22.23988885
-0.00066639 -0.00049208 -0.00031118
0.00466622 -0.00861620 -0.00311808
9.84094998 -5.32913957 -1.58193486
-0.00075913 -0.00122230 -0.00008144
-0.00349658 -0.01126721 -0.00095012
8.94210512 -2.49410617 -2.24775123
0.00061043 0.00036142 -0.00206841
0.01818654 -0.02148428 0.00562513
-18.95061722 -4.10365901 5.18091045
-0.00014010 -0.00023778 0.00076309
0.00599897 0.00165129 -0.00569342
-17.11757167 -3.05415986 3.04389084
0.00065688 0.00032522 0.00018123
-0.01776958 -0.00237648 0.01471940
-15.41612991 0.11855465 16.77136560
-0.00026371 0.00042390 -0.00033598
0.00732701 0.00123732 0.00975646
-13.79665351 1.19769384 18.97086292
0.00036937 -0.00059649 -0.00004731
-0.01857372 -0.00701559 -0.00603710
3.18446369 3.54170084 -4.53790693
-0.00020081 0.00057745 0.00048951
-0.00599354 0.00531614 0.01614719
3.52810982 1.06159555 -3.22807557
-0.00110593 -0.00017482 0.00019706
-0.00377105 0.02191653 0.01251823
22.82023272 -9.48553615 -10.29082497
0.00014729 -0.00002221 -0.00017433
0.01601771 0.01785303 0.00833919
24.91076912 -7.87051315 -8.63233403
-0.00069939 0.00021895 -0.00015837
0.01504665 -0.00503084 0.00567192
2.24903619 -8.64202965 5.23681331
0.00056143 -0.00117390 0.00110118
0.00825152 -0.00492080 -0.00977942
2.70965142 -7.73578135 7.99936346
-0.00086476 -0.00138192 0.00038875
-0.00646088 -0.00320101 -0.01101773
-4.01762311 -2.86959835 -17.50932015
0.00096759 0.00071197 -0.00060630
0.00647118 -0.00512114 -0.00934635
-4.88247234 -0.35397860 -16.94845189
-0.00047222 -0.00014777 0.00000568
-0.00554149 0.01027474 -0.00316088
2.23623184 4.75663564 -12.19962593
0.00009677 -0.00037323 0.00058552
0.00222364 -0.00485101 0.02776772
2.22630492 3.60510188 -9.32410890
-0.00020212 0.00067628 0.00061801
-0.01363862 0.00730123 -0.01144600
-0.92637976 16.21411816 13.31150097
-0.00012986 0.00101427 -0.00076930
-0.02336161 -0.00413127 0.00688968
-2.45442022 17.09589430 15.63778285
-0.00035144 0.00020752 -0.00037601
-0.00004781 0.00486318 0.03513247
-1.67044377 1.08041241 -5.68574222
0.00020940 0.00012465 0.00071127
-0.00179545 -0.01035346 0.01086748
-2.79405285 0.99650070 -8.35714912
0.00024066 0.00001123 -0.00005696
-0.02213025 -0.03696063 -0.03336802
-8.09256564 -2.90238000 -5.07269570
0.00054282 -0.00005447 0.00093566
-0.01890525 -0.02203379 -0.00613377
-7.43404994 -0.39436651 -4.07167032
0.00029062 -0.00036850 0.00031131
0.01135762 -0.00331078 0.00042636
1.38897059 28.44963012 5.89447231
-0.00043121 -0.00062303 0.00006858
0.02465569 0.00636209 -0.04132358
-1.26715776 28.46950206 6.69725298
0.00063382 -0.00011153 0.00063179
-0.06135763 0.00187232 -0.03028084
8.35834356 -9.10133817 -2.20851782
-0.00013075 0.00016242 -0.00049030
-0.00819672 -0.00575050 0.00531950
10.03739850 -10.06067934 0.15900102
0.00043254 0.00009727 -0.00042731
-0.00234255 0.01439479 -0.01575573
-5.71408215 0.10701358 9.14323644
-0.00073304 0.00053395 0.00137646
-0.01542817 0.00192645 -0.02448374
-8.42111432 -0.28624846 8.14931299
0.00007315 0.00040102 0.00062886
-0.01056937 -0.00745174 0.00168235
19.81962049 11.31620554 7.60134311
-0.00052056 -0.00045851 0.00105186
0.01944941 -0.00811528 0.03287889
19.53795395 13.02247367 5.44935733
-0.00058457 0.00033806 0.00083342
0.00521389 0.01093790 -0.00823129
-3.14923738 -2.61442310 -22.12707649
0.00132412 0.00007728 -0.00128716
0.01157074 0.01921175 0.03062544
-4.77980747 -3.23000172 -24.20737310
-0.00019489 -0.00068314 0.00019280
0.01339577 -0.02179302 -0.00569275
-12.48225143 9.21369219 9.40046505
-0.00008417 -0.00017307 0.00051615
0.00013731 -0.00128805 0.00439377
-13.14560444 8.77899490 6.58915852
-0.00020030 -0.00055190 0.00016908
0.00066902 0.00349605 0.00956839
-12.57059816 7.42173768 -4.42971285
0.00009873 -0.00010894 -0.00001439
-0.00598971 -0.00597916 0.00249737
-11.47342426 9.17743592 -2.52935113
0.00006300 0.00021329 -0.00001365
0.00883329 0.03213943 0.00862013
-4.87943084 -17.37278858 20.14602010
-0.00045096 -0.00054371 -0.00067408
0.03623440 0.02573050 0.00047567
-1.83600882 -17.19099043 19.70441078
-0.00056192 0.00071589 -0.00058745
-0.02171116 0.01046295 0.00679959
-3.63730503 5.49400931 -6.86539734
-0.00022563 -0.00018014 -0.00035822
0.00710051 0.00009567 -0.00408159
-3.57691214 8.49685140 -6.88443621
-0.00011490 -0.00090414 -0.00039097
0.00021240 -0.02568606 -0.01495733
-21.15572732 28.32303137 0.10681507
-0.00051521 -0.00064263 0.00034579
0.00705735 -0.00312395 0.00232020
-18.90196270 29.35008637 1.72187034
0.00116094 0.00044067 0.00020027
0.00539396 -0.00338050 -0.01157924
8.93646267 2.51353873 6.15598352
-0.00060429 0.00001660 0.00053274
-0.04043463 -0.01553773 -0.04053444
9.13637314 4.93389709 7.90668474
0.00078612 -0.00124994 -0.00002196
-0.00004730 -0.01323064 -0.00319274
7.06834334 14.89244008 -14.88055105
0.00059083 0.00134458 -0.00009025
-0.00875638 -0.00050444 0.02922599
6.26659689 12.56234478 -13.22038073
0.00104976 0.00123030 0.00016822
0.00509470 0.04646448 0.00399249
13.28266208 5.24770100 -3.46151130
0.00037405 -0.00060036 0.00004762
-0.01137261 0.01765810 -0.00989200
13.53235264 3.74633235 -1.11989174
-0.00078377 -0.00169818 0.00114671
-0.00623077 -0.00837279 0.00553693
-5.46353539 9.62940250 0.10369343
0.00075237 -0.00043526 -0.00048289
0.02476008 -0.03465901 0.01023806
-8.02398328 10.74205118 0.06201504
0.00033427 -0.00161607 -0.00128841
-0.00016760 0.00561726 0.00197840
4.62883124 12.73243870 2.18850928
-0.00018792 0.00022124 -0.00008656
-0.00860486 0.00779487 -0.00231119
7.40004945 11.91733828 2.50343608
-0.00023558 0.00111981 0.00015310
-0.02559225 0.03145687 0.02431824
20.66638462 -12.86415827 -10.50977041
0.00085063 0.00005272 0.00074156
-0.02572685 -0.01448461 0.02734175
22.08103952 -13.61541010 -12.78020724
0.00014184 0.00005104 0.00007855
0.01659008 -0.02285121 -0.02214841
18.09447497 -6.04314943 2.11611207
-0.00017573 0.00059784 0.00053908
-0.03427192 -0.01668780 0.01248308
16.11744145 -8.04210365 3.30141486
0.00027683 -0.00069727 -0.00007902
-0.00348324 -0.02111035 -0.01213627
14.12246756 8.25144478 10.84679136
-0.00003089 -0.00006795 0.00070234
-0.00470714 0.00902898 0.00276905
16.55456722 6.65521334 11.10950265
0.00034166 -0.00037948 -0.00058270
-0.00939991 0.00650155 -0.00434007
2.55452605 -13.07754627 14.89318251
-0.00153970 0.00033100 -0.00000901
-0.00867626 -0.02496680 -0.00041700
3.64310929 -12.20803650 17.15188597
-0.00053403 -0.00014373 -0.00013185
0.00354330 -0.02278996 0.01477168
-3.42043047 -2.70346658 -10.17315146
-0.00037186 -0.00003580 0.00023773
0.00162608 0.02112526 -0.00064484
-1.98399714 -0.46237183 -11.54150665
0.00049037 -0.00019721 -0.00045570
0.02658609 0.00002051 -0.01484990
14.85085811 -7.59291793 -11.35268404
0.00070406 -0.00017177 0.00075792
0.01678863 -0.00850985 0.02976153
16.79046098 -6.99899353 -8.87745323
0.00023676 -0.00017167 -0.00047749
0.01703546 0.01403067 -0.00805854
7.20596554 -2.78644968 5.79873514
0.00039962 0.00008896 -0.00151032
0.01041672 -0.00994306 0.01220205
9.92904544 -3.22780073 4.91207024
0.00025138 -0.00113226 -0.00014995
0.02416495 -0.00123511 -0.02324304
-21.58247830 1.30144551 22.67829860
0.00091553 -0.00069974 0.00002775
0.00469887 0.00666529 0.02880946
-22.81716314 0.57091570 25.28813380
-0.00063151 0.00014353 -0.00026135
0.01316709 0.01177656 -0.01206750
25.57159309 -2.86888629 -7.74660093
0.00011540 0.00084385 -0.00032457
0.00078048 -0.00088885 -0.00948730
23.66409257 -0.55057654 -7.10037562
0.00004765 -0.00003306 0.00012383
0.00079765 -0.00728338 -0.01178231
11.32232984 -12.87207276 -8.57341615
0.00046537 -0.00027221 -0.00074684
-0.01382584 -0.00705825 0.00763013
12.53203530 -10.39004635 -9.40412693
-0.00009726 -0.00032452 -0.00016140
0.01983602 0.02421874 0.00393692
-5.34397767 -10.44625447 18.38951941
-0.00050061 0.00009096 0.00038536
-0.01316032 0.00257427 -0.00859669
-6.13756498 -9.82557396 15.42461617
0.00069421 -0.00059477 0.00056814
-0.01626682 0.00370879 -0.00043557
8.87990012 1.10834696 -31.74006073
0.00106644 0.00036145 -0.00027451
0.00690429 -0.00870564 -0.00406888
6.42486514 2.52247762 -31.28280850
0.00022895 0.00039709 -0.00060700
0.01531618 0.00157450 0.00229905
11.43747242 18.30097846 13.37286345
-0.00013355 -0.00084956 -0.00009345
-0.01141942 -0.01296517 0.01576419
12.02818248 15.71596840 14.62811675
-0.00035208 -0.00102083 0.00018568
-0.01237229 0.01924145 -0.00044417
30.66351071 5.45297815 -8.07239959
0.00043545 -0.00013474 0.00055285
-0.00255336 0.00572026 0.00158559
28.89306708 7.79965981 -7.24979885
0.00087103 -0.00122521 -0.00059309
0.02584848 -0.01444431 -0.00811227
-8.41886428 4.88400675 5.64337948
-0.00003048 -0.00014224 -0.00001569
0.00982039 0.00655527 0.00666927
-10.75269908 10.14391622 3.43084052
0.00004704 0.00001964 -0.00012859
-0.00073746 -0.00668433 0.00328140
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08290095
0.32194060
428.96971188
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3844358775 (a.u.)
total exchange computation time: 2.8070919514 s
-154.3455599750
-931.40695138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3838923998 (a.u.)
total exchange computation time: 2.8087248802 s
-154.3509499378
Anderson extrapolation: theta=1.3414432571 (1.3414432571)
-931.40718852
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3830623090 (a.u.)
total exchange computation time: 2.8055589199 s
-154.3588307823
Anderson extrapolation: theta=0.0511704047 (0.0511704047)
-931.40732867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3829380928 (a.u.)
total exchange computation time: 2.8075380325 s
-154.3598125965
Anderson extrapolation: theta=1.8599951447 (1.8599951447)
-931.40733374
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.413 s
total exchange = -52.3826772173 (a.u.)
total exchange computation time: 2.8060739040 s
-154.3617992205
Anderson extrapolation: theta=0.2177192810 (0.2177192810)
-931.40733888
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.410 s
total exchange = -52.3826082343 (a.u.)
total exchange computation time: 2.8049919605 s
-154.3622600817
Anderson extrapolation: theta=1.8383422906 (1.8383422906)
-931.40733987
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.412 s
total exchange = -52.3824969727 (a.u.)
total exchange computation time: 2.8071880341 s
-154.3629347453
Anderson extrapolation: theta=0.2918177914 (0.2918177914)
-931.40734110
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.409 s
total exchange = -52.3824821455 (a.u.)
total exchange computation time: 2.8059821129 s
-154.3629560135
Anderson extrapolation: theta=1.2973755531 (1.2973755531)
-931.40734142
-256.221847 77.338726 -35.804602
566.353365 1066.710435 -418.827796
310.131518 1144.049161 -454.632398
1269.535608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 2.411 s
total exchange = -52.3824776621 (a.u.)
total exchange computation time: 2.7781958580 s
679.04068001
-1084.18075989
89.74254693
-388.78465696
-174.84267413
78.53417690
551.60419304
0.00000000
-931.40734170
5.59515163 -31.22208582 -3.77509029
-0.00032960 -0.00011051 0.00011149
-0.01065909 0.01450735 -0.03136970
-11.82140047 -1.01786813 -11.83280122
-0.00018102 -0.00004771 0.00013888
0.00621805 0.00735572 -0.01728760
-37.97648130 2.33319485 3.35727030
0.00031428 0.00000813 -0.00019282
0.00690149 -0.03185271 0.02611655
-9.65539145 -2.78401943 2.52108289
-0.00071654 0.00014685 -0.00023460
-0.01299277 0.02114024 -0.00129043
0.71645905 -0.22205131 8.98506582
0.00033736 -0.00013197 -0.00010057
-0.02240069 -0.01411452 -0.04673846
-32.39097816 2.75154866 1.80796414
-0.00009170 0.00004405 -0.00013561
-0.03111669 0.00626207 0.02104695
13.95997603 13.65235925 -14.36431606
-0.00000119 0.00036518 -0.00020634
0.03681776 0.00456019 -0.00410338
-4.01965901 7.09719953 4.09053993
-0.00044632 0.00001540 -0.00015446
-0.00518359 -0.02085319 -0.00782595
5.77503235 16.70606114 -8.48473614
0.00016468 -0.00000666 0.00015001
0.00855977 -0.00479861 -0.00307233
6.83373834 7.18524332 -21.04772715
-0.00018275 0.00029754 0.00002476
-0.01229998 -0.00935900 0.02459004
23.46622964 17.10819606 -2.26436616
-0.00034299 0.00003423 0.00031774
-0.01703572 -0.01064772 0.01095433
1.37114345 12.88249087 -21.01834415
0.00012115 0.00018674 0.00033572
0.00043685 -0.02575015 -0.00374706
10.38807341 -3.60208902 -1.70861354
0.00029511 0.00031248 0.00020318
-0.02095710 0.01571385 -0.01311992
-17.90429799 -2.66675518 4.68751708
0.00023336 -0.00007547 0.00010956
0.00188433 -0.00416708 -0.01335128
-15.28300722 0.13200895 18.61685197
-0.00008331 0.00003254 -0.00010538
0.02552931 -0.00212675 -0.00341490
2.76880281 2.75792728 -2.91581196
-0.00013026 0.00004061 0.00008378
-0.00442423 -0.01509530 -0.01999279
23.41369770 -7.81513758 -9.60799995
0.00015742 -0.00032201 -0.00014664
-0.02834948 -0.01003166 -0.02375434
1.42245011 -7.97461062 6.69015932
0.00022583 0.00021387 0.00014817
-0.00654178 0.01284509 0.01317668
-3.76402603 -1.17286788 -18.17415576
0.00026797 0.00032981 0.00031817
0.00725633 -0.00341458 0.00627854
3.24041300 4.27000897 -10.67894563
-0.00036929 0.00005551 0.00014073
0.00964904 -0.00345422 -0.00959726
-2.66122983 16.85708433 13.90975634
0.00017277 -0.00017116 0.00027402
0.01436221 0.00175565 -0.04739312
-2.26672603 2.05948463 -7.06047486
-0.00011558 0.00013168 0.00000838
0.02498854 0.04289317 0.03863634
-6.67409888 -2.04325800 -4.42415890
-0.00028288 0.00002375 -0.00020921
0.01425682 0.02906956 0.01249881
0.34492380 28.22644663 7.27602536
0.00001107 0.00018577 0.00013209
0.04000855 -0.01451716 0.06648460
10.03324484 -9.12263558 -1.46399153
0.00011517 -0.00009045 0.00001790
0.01522639 -0.00521957 0.00460983
-6.84368119 0.38773687 7.57505167
-0.00008373 0.00024973 -0.00004358
0.02664219 0.00712119 0.03342499
18.65459896 11.72836828 6.33749779
0.00035398 -0.00005217 0.00005406
-0.02306403 -0.00610830 -0.01793262
-3.26747614 -3.95290602 -23.28350719
-0.00017826 0.00034817 0.00008931
-0.03075431 0.00031633 -0.02789935
-13.64010942 8.29413741 8.31353189
0.00006471 0.00017192 0.00026417
-0.00218516 -0.00242463 -0.01081595
-12.06583817 7.49810960 -2.64120932
-0.00042780 -0.00032048 -0.00037898
0.00027944 -0.01793254 -0.01544175
-3.28468434 -16.26428761 20.44604769
-0.00031351 -0.00022103 0.00013476
-0.02076042 -0.03447873 -0.00722130
-3.26654900 6.93039822 -7.93680361
-0.00049328 0.00024517 0.00030708
-0.00842173 0.03132261 0.00911135
-20.68128582 29.55111766 1.35624255
-0.00011402 0.00022283 -0.00013971
0.00080036 0.01248346 0.00875500
9.79331222 3.20840598 7.49492995
0.00010986 -0.00010459 -0.00005390
0.03925348 0.03035603 0.04394674
6.37519183 14.49877081 -13.14465300
-0.00000857 0.00012784 0.00050106
0.00908348 -0.04038820 -0.03878379
14.13095989 3.79945866 -2.84532924
-0.00005307 -0.00002994 0.00002146
0.02001195 -0.02203363 0.01643765
-6.29652570 11.06374382 -0.45165421
0.00002816 -0.00003963 0.00022415
-0.01381979 0.02691758 -0.01237671
6.11319709 13.18965179 3.16451707
0.00034308 0.00016821 -0.00011252
0.02652174 -0.02917428 -0.01388622
21.90207961 -12.26682452 -11.62925370
0.00003367 0.00020916 -0.00036031
0.00740074 0.03629233 0.00496855
16.68871381 -6.35627057 3.35946557
0.00019610 0.00009464 -0.00001679
0.03188476 0.03464593 -0.00732224
15.28425355 7.22425041 9.88149580
0.00018013 -0.00021073 -0.00034902
0.01086321 -0.01418626 -0.00085287
3.04958183 -13.86303636 16.49404613
-0.00009106 0.00018342 -0.00021205
0.00821799 0.04393654 -0.01957755
-3.55071719 -0.90229735 -10.77312459
-0.00008831 -0.00052673 -0.00010776
-0.02741839 -0.01752468 0.00832472
15.36971440 -7.92139081 -9.52152622
0.00003570 0.00015497 -0.00011464
-0.04210592 -0.00816911 -0.02006884
8.90604877 -3.42597767 6.36326426
0.00048071 -0.00046296 0.00016465
-0.03281303 0.00716693 0.01007063
-21.44506535 1.61081960 24.52860361
-0.00027679 -0.00005206 -0.00015540
-0.01693653 -0.01790791 -0.01634102
24.90773632 -1.72345396 -6.49120955
-0.00000882 -0.00007097 -0.00006570
0.00111216 0.00749683 0.01908466
11.68638210 -11.82968580 -9.99944992
0.00026855 -0.00002599 0.00004416
-0.00783868 -0.01832040 -0.02162947
-4.86407555 -10.26060034 16.61191296
0.00011886 -0.00010618 -0.00029203
0.03798334 -0.01837952 0.02454081
8.13885036 2.30175191 -30.56646058
0.00018195 0.00035945 -0.00053663
-0.02759198 0.00004803 -0.00486702
10.85789654 17.17658784 14.77124527
0.00020266 -0.00033005 -0.00028684
0.02437774 -0.00351826 -0.01889551
30.66833570 7.27426074 -7.65465414
-0.00017363 0.00006046 0.00024994
-0.01342968 0.00322998 0.01389529
5.77339777 -30.08353464 -5.28723974
0.00029599 -0.00012517 0.00010463
-0.00455895 -0.01516831 0.02064657
3.92684795 -30.85500402 -3.09711021
0.00040140 -0.00050313 0.00025011
0.00567325 0.00677086 0.00316849
-12.41255451 -2.00133036 -13.38588161
-0.00044329 0.00102234 -0.00067648
0.00023852 -0.00142931 0.01516208
-11.65246493 0.65511818 -12.65053025
0.00022877 0.00084647 0.00009480
-0.00415418 -0.00451148 0.00819029
-37.93616925 3.70262973 2.24344430
-0.00074481 0.00037774 0.00064672
-0.00928888 0.03279598 -0.02432871
-39.68235317 1.65728038 3.36929732
-0.00021351 0.00108676 -0.00024607
-0.00025748 0.00157702 -0.00346017
-9.78221812 -3.25220767 0.72109316
0.00031232 -0.00072558 -0.00021691
-0.00821599 0.00191617 0.00924284
-8.22376651 -3.57265488 3.24385706
0.00008315 0.00009664 0.00137482
0.01870398 -0.01472543 0.00344628
0.07791715 -0.40759272 7.17550235
-0.00014727 -0.00085332 0.00005298
0.01703612 0.00331895 0.04212764
1.96000895 1.07817120 8.89197482
-0.00014533 0.00017255 0.00041433
0.00899212 0.00833821 0.00156414
-32.15487256 1.06614259 2.50846462
-0.00043792 -0.00051554 0.00032162
0.00599069 -0.01149955 -0.00880275
-34.21569650 3.03394959 2.22551984
0.00043127 0.00092129 -0.00069057
0.02791235 -0.00390138 -0.01262533
12.74278802 12.76341978 -15.30243342
0.00144437 0.00047153 0.00026416
-0.03000770 -0.01060866 -0.01091191
15.50228585 12.96081164 -15.19024093
0.00043115 -0.00127104 -0.00014579
-0.00830353 0.01003403 0.02101653
-3.95649608 8.82674308 4.75997380
-0.00019155 0.00000659 0.00035591
0.00457743 0.00243366 -0.01484558
-3.38300459 6.82807893 2.34534339
-0.00044326 -0.00032388 -0.00160872
-0.00226285 0.01313831 0.02301421
5.92102796 16.15029801 -10.26515202
0.00067505 -0.00060103 0.00132274
-0.00088674 0.00120119 0.00891434
7.57261251 16.90783085 -7.99902124
-0.00002144 -0.00012483 0.00008646
-0.00453163 0.00144202 -0.00115752
7.93340065 7.17830942 -22.48099745
-0.00035592 -0.00009809 -0.00046545
0.00957682 0.00124875 -0.02802725
8.02735544 7.60377260 -19.73365107
-0.00042731 0.00091982 0.00040236
0.00150655 0.00695466 0.00520148
21.76968472 17.92255002 -2.31668383
-0.00036131 -0.00008385 -0.00056694
0.01173261 -0.01064082 0.00370789
24.53904653 18.05645944 -3.32481514
0.00022941 -0.00069407 0.00002640
0.01135410 0.01471209 -0.01595518
1.25820243 11.06276245 -21.56726391
0.00018231 0.00011979 0.00034134
-0.00733457 0.02755564 0.00479014
0.72769949 14.09848954 -22.24465217
-0.00064563 -0.00052846 -0.00032073
0.00549593 -0.00919333 -0.00155430
9.82945584 -5.34781934 -1.58318550
-0.00076435 -0.00124205 -0.00008715
0.00094312 0.00160069 -0.00184510
8.95181886 -2.48934315 -2.27860495
0.00068730 0.00027128 -0.00204256
0.01944318 -0.02264371 0.00702787
-18.95253493 -4.10717516 5.19218241
-0.00011066 -0.00022639 0.00073662
0.00841403 0.00392590 -0.00726821
-17.10826299 -3.04935441 3.04706028
0.00058280 0.00031405 0.00024102
-0.01849226 -0.00309074 0.01454804
-15.41986101 0.12495105 16.76662484
-0.00023355 0.00042898 -0.00029299
0.00743401 0.00125221 0.01129090
-13.79168209 1.18853152 18.96996832
0.00029357 -0.00062446 -0.00007186
-0.01853227 -0.00667395 -0.00598254
3.18126793 3.55052556 -4.53006951
-0.00022408 0.00059885 0.00055344
-0.00539905 0.00515816 0.01514849
3.51140536 1.05964484 -3.22473613
-0.00111952 -0.00008700 0.00024635
-0.00288280 0.02107020 0.01161048
22.82293296 -9.48532226 -10.29318438
0.00021252 0.00004821 -0.00014086
0.01591319 0.01661814 0.00804517
24.90073938 -7.86738306 -8.63453580
-0.00062715 0.00019727 -0.00012829
0.02031454 -0.00558095 0.00905288
2.25771042 -8.65978895 5.25303135
0.00059494 -0.00119442 0.00106009
0.00815227 -0.00512172 -0.01033381
2.69648204 -7.75660828 8.00485713
-0.00088349 -0.00139258 0.00035237
-0.00270906 -0.00201605 -0.00679105
-4.00291104 -2.85907570 -17.51870106
0.00099244 0.00068059 -0.00063987
0.00569568 -0.01023955 -0.00708543
-4.88972542 -0.35588028 -16.94846350
-0.00049411 -0.00010632 -0.00000688
-0.00517424 0.01001464 -0.00298876
2.23775160 4.75088858 -12.18999226
0.00010071 -0.00039021 0.00069156
-0.00029654 -0.00346364 0.02414188
2.22285523 3.61546979 -9.31518951
-0.00025750 0.00070624 0.00057064
-0.01347232 0.00736450 -0.01174156
-0.92904357 16.22920567 13.30017258
-0.00022301 0.00099588 -0.00073923
-0.02223467 -0.00487266 0.00782932
-2.45969328 17.09915618 15.63321928
-0.00034903 0.00022848 -0.00022148
0.00122525 0.00539458 0.04051146
-1.66735773 1.08196484 -5.67474018
0.00019800 0.00008863 0.00074591
-0.00378597 -0.00727480 0.00608909
-2.79112114 0.99553658 -8.35902603
0.00015121 -0.00013936 -0.00019149
-0.02165654 -0.03675658 -0.03248543
-8.08500268 -2.90387216 -5.05884881
0.00045091 -0.00015274 0.00090420
-0.02608554 -0.02607142 -0.00926480
-7.42934261 -0.39999541 -4.06698761
0.00033355 -0.00037624 0.00031370
0.00965908 -0.00047898 0.00074442
1.38325798 28.44047969 5.89423479
-0.00032763 -0.00059687 -0.00010412
0.02604500 0.00644269 -0.04321757
-1.25953064 28.46788648 6.70580188
0.00036931 -0.00010210 0.00050373
-0.06812425 0.00274354 -0.03240507
8.35613110 -9.09907806 -2.21570930
-0.00015897 0.00013794 -0.00046529
-0.00561695 -0.00623113 0.00692324
10.04381478 -10.05877920 0.15210861
0.00042204 0.00015255 -0.00048542
-0.00279840 0.01266528 -0.01268990
-5.72555051 0.11508186 9.16313302
-0.00079638 0.00054241 0.00126978
-0.01557863 0.00221654 -0.02773596
-8.42034090 -0.28046150 8.15879742
0.00002908 0.00037063 0.00063406
-0.01100567 -0.00742432 0.00086481
19.81240805 11.30907923 7.61812852
-0.00044447 -0.00048914 0.00118113
0.01779746 -0.00687739 0.03039967
19.52934523 13.02787967 5.46160635
-0.00055756 0.00038870 0.00079666
0.00800637 0.01385400 -0.00976127
-3.12902103 -2.61267515 -22.14544541
0.00137225 0.00016913 -0.00115229
0.01198897 0.02574738 0.03539469
-4.78232038 -3.24091668 -24.20465557
-0.00014306 -0.00076901 0.00016910
0.01197876 -0.02024120 -0.00590994
-12.48350973 9.21105669 9.40834201
-0.00008245 -0.00017690 0.00053323
0.00070281 -0.00058841 0.00396284
-13.14858850 8.77082351 6.59198797
-0.00019602 -0.00053588 0.00020704
0.00143035 0.00434779 0.00901229
-12.56930070 7.41992031 -4.42985218
0.00007234 -0.00013325 -0.00001023
-0.00692868 -0.00591814 -0.00045840
-11.47220862 9.18162015 -2.52929167
0.00009420 0.00033154 0.00002051
0.00643925 0.02574422 0.00810153
-4.88508491 -17.38015577 20.13592341
-0.00030191 -0.00043676 -0.00067067
0.03672656 0.02662216 0.00119683
-1.84510290 -17.17993140 19.69580742
-0.00064576 0.00075589 -0.00056134
-0.01932739 0.00911552 0.00598121
-3.64047195 5.49131020 -6.87089571
-0.00019693 -0.00018089 -0.00037361
0.00695194 -0.00046629 -0.00345064
-3.57862915 8.48250221 -6.89075911
-0.00011683 -0.00099637 -0.00044288
-0.00115553 -0.01946179 -0.01045371
-21.16323927 28.31329620 0.11207303
-0.00048387 -0.00065183 0.00035920
0.00828728 -0.00137737 0.00424465
-18.88438327 29.35659278 1.72451960
0.00116443 0.00042823 0.00014812
-0.00368619 -0.00270849 -0.01394803
8.92615923 2.51331158 6.16273245
-0.00077018 -0.00004762 0.00036649
-0.04076692 -0.01589722 -0.04084154
9.14816355 4.91474252 7.90625749
0.00078025 -0.00128999 -0.00003123
-0.00282794 -0.00637248 -0.00134434
7.07693743 14.91259335 -14.88100924
0.00055084 0.00133940 0.00003941
-0.01081821 -0.00203415 0.03424381
6.28249942 12.58222307 -13.21773510
0.00106932 0.00140690 0.00018409
0.00447728 0.03998148 0.00377542
13.28792430 5.23923670 -3.46110012
0.00032164 -0.00051921 0.00000536
-0.01428199 0.02206511 -0.01079551
13.52040523 3.72060307 -1.10252137
-0.00080369 -0.00172945 0.00114987
-0.00352381 -0.00693490 -0.00399089
-5.45149108 9.62181160 0.09676375
0.00084889 -0.00056800 -0.00044485
0.02248578 -0.03032014 0.00838675
-8.01897433 10.71798233 0.04274947
0.00032733 -0.00159398 -0.00127806
-0.00322829 0.00519284 0.00308815
4.62574880 12.73599622 2.18714007
-0.00021793 0.00025475 -0.00009286
-0.00608458 0.00860503 -0.00077258
7.39573151 11.93509939 2.50647770
-0.00033154 0.00123963 0.00024783
-0.02138118 0.02719471 0.02205670
20.67835577 -12.86381137 -10.49780917
0.00074926 -0.00000528 0.00084992
-0.02389541 -0.01390372 0.02569887
22.08367548 -13.61534476 -12.77970766
0.00020961 -0.00004388 -0.00001275
0.01658231 -0.02361219 -0.02254254
18.09078878 -6.03469318 2.12458072
-0.00031022 0.00052995 0.00058502
-0.03156052 -0.01654339 0.01000511
16.12148712 -8.05320959 3.29985774
0.00026716 -0.00077021 -0.00012851
-0.00125058 -0.01459294 -0.01209066
14.12185997 8.25070225 10.85741133
-0.00004275 -0.00003748 0.00070679
-0.00109931 0.00588447 -0.00059269
16.55940407 6.64972030 11.10062910
0.00030332 -0.00035296 -0.00060054
-0.00936567 0.00648129 -0.00439049
2.53116471 -13.07334636 14.89303454
-0.00157279 0.00022774 -0.00000682
-0.00752349 -0.02558008 0.00149277
3.63520744 -12.21089074 17.15036082
-0.00051744 -0.00023248 -0.00007052
0.00457558 -0.02065815 0.01525021
-3.42595858 -2.70335628 -10.16960534
-0.00036447 0.00004636 0.00023565
0.00199164 0.01909226 -0.00037142
-1.97582687 -0.46532941 -11.54879719
0.00058841 -0.00020076 -0.00051106
0.02140347 -0.00175542 -0.01224949
14.86193341 -7.59575520 -11.34040321
0.00076935 -0.00020412 0.00086937
0.01517486 -0.00732490 0.02479148
16.79453438 -7.00113858 -8.88486251
0.00030730 -0.00011416 -0.00050921
0.01749684 0.01411840 -0.00746985
7.21227911 -2.78541998 5.77645421
0.00044767 0.00004519 -0.00145516
0.01310347 -0.01148106 0.01479999
9.93355668 -3.24482255 4.90910872
0.00035072 -0.00113801 -0.00024310
0.02446271 -0.00157796 -0.02235268
-21.56860140 1.29115369 22.67959771
0.00093357 -0.00067266 0.00014300
0.00413236 0.00659052 0.02760540
-22.82623232 0.57342952 25.28384374
-0.00057705 0.00019195 -0.00031099
0.01348991 0.01192730 -0.01222881
25.57334794 -2.85625573 -7.75176026
0.00012052 0.00083679 -0.00036649
0.00172683 -0.00256631 -0.01102962
23.66483173 -0.55129564 -7.09887920
0.00005010 -0.00006164 0.00007547
0.00040039 -0.00670617 -0.01189164
11.32888671 -12.87637212 -8.58438495
0.00040733 -0.00030515 -0.00070847
-0.01458471 -0.00906793 0.01115231
12.53118429 -10.39417204 -9.40642734
-0.00001250 -0.00021927 -0.00014223
0.02165301 0.02730377 0.00544992
-5.35189006 -10.44481119 18.39503632
-0.00055044 0.00010215 0.00034009
-0.01123264 0.00290268 -0.01355964
-6.12765029 -9.83438188 15.43312492
0.00061440 -0.00057491 0.00055362
-0.02279921 0.00601157 -0.00667317
8.89610831 1.11350196 -31.74430301
0.00109187 0.00032760 -0.00028953
0.00554201 -0.00786506 -0.00328496
6.42876875 2.52848228 -31.29184298
0.00029175 0.00040274 -0.00059844
0.01542283 0.00118854 0.00188904
11.43511917 18.28783779 13.37194474
-0.00017706 -0.00089876 -0.00003456
-0.00987630 -0.01111818 0.01306471
12.02252214 15.70124551 14.63088838
-0.00040310 -0.00093952 0.00018320
-0.01260191 0.02056438 -0.00077215
30.66996423 5.45113241 -8.06405832
0.00042571 -0.00011027 0.00055904
-0.00221371 0.00625804 0.00144554
28.90692461 7.78083910 -7.25894373
0.00095885 -0.00127694 -0.00062189
0.01713922 -0.01087849 -0.00598919
-8.41929515 4.88189072 5.64316207
-0.00002694 -0.00013986 -0.00001333
0.00997998 0.00673678 0.00651303
-10.75199471 10.14419918 3.42891740
0.00004687 0.00001806 -0.00012783
-0.00077868 -0.00688844 0.00323428
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08295401
0.32438769
432.23033874
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.961 s
total exchange = -52.3894593692 (a.u.)
total exchange computation time: 2.7765619755 s
-154.3614685072
-931.40907279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.960 s
total exchange = -52.3888617379 (a.u.)
total exchange computation time: 2.7778949738 s
-154.3672627902
Anderson extrapolation: theta=1.3398985898 (1.3398985898)
-931.40930939
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.960 s
total exchange = -52.3879560923 (a.u.)
total exchange computation time: 2.7795729637 s
-154.3757089127
Anderson extrapolation: theta=0.0509621299 (0.0509621299)
-931.40944861
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.962 s
total exchange = -52.3878257540 (a.u.)
total exchange computation time: 2.7792110443 s
-154.3767399786
Anderson extrapolation: theta=1.8504034426 (1.8504034426)
-931.40945355
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.960 s
total exchange = -52.3875545662 (a.u.)
total exchange computation time: 2.7793660164 s
-154.3788144538
Anderson extrapolation: theta=0.2175649328 (0.2175649328)
-931.40945847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.961 s
total exchange = -52.3874836286 (a.u.)
total exchange computation time: 2.7789080143 s
-154.3792965647
Anderson extrapolation: theta=1.8356764805 (1.8356764805)
-931.40945940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.961 s
total exchange = -52.3873698293 (a.u.)
total exchange computation time: 2.7783520222 s
-154.3800058169
Anderson extrapolation: theta=0.2921467451 (0.2921467451)
-931.40946052
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.962 s
total exchange = -52.3873551148 (a.u.)
total exchange computation time: 2.7789468765 s
-154.3800335467
Anderson extrapolation: theta=1.2913147635 (1.2913147635)
-931.40946080
-256.200835 121.650324 -35.779549
566.373872 1066.676077 -418.807377
310.173037 1188.326401 -454.586925
1309.571006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.961 s
total exchange = -52.3873516243 (a.u.)
total exchange computation time: 2.7767579556 s
679.12089939
-1084.33756352
89.72838806
-388.67855649
-174.85527684
78.61873955
551.60419304
0.00000000
-931.40946103
5.59016657 -31.22368755 -3.77353896
-0.00033361 -0.00010339 0.00009495
-0.00494334 0.01321028 -0.03293828
-11.82409179 -1.01855546 -11.83078473
-0.00017772 -0.00004262 0.00012921
0.00661317 0.01243758 -0.02032584
-37.97174054 2.33319392 3.35447868
0.00031735 -0.00000855 -0.00017935
0.00505018 -0.03299247 0.02625944
-9.66618974 -2.78173515 2.51755896
-0.00072079 0.00015638 -0.00023410
-0.00350745 0.01593003 0.00323106
0.72143308 -0.22408531 8.98337702
0.00032548 -0.00013960 -0.00012431
-0.02380833 -0.01556996 -0.04557762
-32.39247363 2.75223356 1.80601119
-0.00010659 0.00004619 -0.00012461
-0.02678423 0.00204801 0.02173183
13.96010022 13.65785460 -14.36742697
0.00002090 0.00036822 -0.00020766
0.04908519 0.00725896 -0.00103413
-4.02637374 7.09735012 4.08819291
-0.00044831 0.00000452 -0.00016025
-0.00257979 -0.02145176 -0.01471780
5.77753561 16.70594268 -8.48249785
0.00016882 -0.00000878 0.00014979
0.00754673 -0.00344080 0.00222898
6.83094963 7.18967030 -21.04726094
-0.00018859 0.00029280 0.00003728
-0.01040266 -0.00905768 0.02409788
23.46101909 17.10866841 -2.25955784
-0.00035145 0.00002896 0.00032310
-0.01588492 -0.00982104 0.00989589
1.37296245 12.88519264 -21.01332275
0.00012117 0.00017369 0.00033330
-0.00037101 -0.02501571 -0.00569285
10.39241915 -3.59734119 -1.70561638
0.00028301 0.00031768 0.00019624
-0.02609198 0.00451185 -0.01389208
-17.90079034 -2.66790336 4.68910903
0.00023392 -0.00007796 0.00010316
0.00028974 -0.00550699 -0.01155725
-15.28415842 0.13248887 18.61525806
-0.00007029 0.00003131 -0.00010754
0.02510692 -0.00264996 -0.00495970
2.76683188 2.75847814 -2.91463233
-0.00013295 0.00003317 0.00007407
-0.00604333 -0.01381825 -0.01777698
23.41594960 -7.82000644 -9.61029124
0.00014178 -0.00032654 -0.00015948
-0.03247305 -0.00756387 -0.02615227
1.42581231 -7.97135299 6.69243264
0.00022162 0.00022027 0.00015378
-0.00983921 0.01202277 0.00863866
-3.75997845 -1.16793391 -18.16935894
0.00027180 0.00032949 0.00032089
0.00761907 0.00215653 0.00427818
3.23491094 4.27082834 -10.67687176
-0.00036361 0.00005332 0.00013695
0.01241974 -0.00508341 -0.00509118
-2.65858294 16.85452369 13.91368383
0.00017951 -0.00017017 0.00024856
0.01184889 0.00209917 -0.05160200
-2.26836337 2.06162527 -7.06020017
-0.00010253 0.00015255 0.00002876
0.02575874 0.03825560 0.04061402
-6.67828710 -2.04278968 -4.42724886
-0.00027349 0.00003876 -0.00020227
0.02226795 0.02930801 0.01449538
0.34524424 28.22917722 7.27826312
0.00003251 0.00017827 0.00016655
0.04336211 -0.01466253 0.06751351
10.03503117 -9.12401246 -1.46370519
0.00012232 -0.00009251 0.00001892
0.01257979 -0.00278226 -0.00063955
-6.84483436 0.39151022 7.57452687
-0.00007007 0.00025320 -0.00002550
0.02647762 0.00639444 0.03688879
18.65981971 11.72756222 6.33823948
0.00034210 -0.00005640 0.00004606
-0.02314829 -0.01036401 -0.01315492
-3.27026861 -3.94768217 -23.28227515
-0.00019371 0.00034654 0.00007413
-0.02935002 -0.00666503 -0.03113320
-13.63914726 8.29670692 8.31745271
0.00006327 0.00017034 0.00025889
-0.00340354 -0.00373441 -0.00970415
-12.07225411 7.49323320 -2.64695362
-0.00042680 -0.00032787 -0.00038587
0.00362367 -0.01080877 -0.01133934
-3.28946706 -16.26773598 20.44804129
-0.00032494 -0.00023843 0.00013126
-0.02367891 -0.03318977 -0.00641497
-3.27398075 6.93419662 -7.93216224
-0.00049709 0.00025947 0.00031028
-0.00637579 0.02429082 0.00331364
-20.68299309 29.55450819 1.35418073
-0.00011175 0.00022863 -0.00013514
0.00805807 0.01008334 0.00901578
9.79511156 3.20695415 7.49429090
0.00013051 -0.00009118 -0.00003236
0.04103710 0.02179523 0.03984007
6.37509828 14.50053266 -13.13728663
-0.00000326 0.00010945 0.00048019
0.01155997 -0.03112592 -0.04239209
14.13024098 3.79892464 -2.84494388
-0.00004277 -0.00004262 0.00003234
0.02004409 -0.02731206 0.02584999
-6.29615661 11.06325323 -0.44833967
0.00002259 -0.00002705 0.00021808
-0.00784216 0.02199202 -0.01123889
6.11844557 13.19206236 3.16277570
0.00035466 0.00015439 -0.00011938
0.01851819 -0.02456890 -0.01277999
21.90261315 -12.26354711 -11.63463917
0.00003672 0.00022745 -0.00035720
0.00447095 0.03481711 0.00711076
16.69177837 -6.35471740 3.35918549
0.00021099 0.00011056 -0.00001978
0.02601555 0.02728690 -0.00431779
15.28699742 7.22103477 9.87625717
0.00018470 -0.00021715 -0.00034865
0.00691450 -0.01080527 0.00228495
3.04824756 -13.86011565 16.49078982
-0.00008744 0.00020538 -0.00022269
0.00587464 0.04148439 -0.02179045
-3.55214763 -0.91026594 -10.77470885
-0.00010102 -0.00053449 -0.00010432
-0.02200637 -0.01264054 0.00504262
15.37008751 -7.91909784 -9.52332327
0.00001459 0.00015054 -0.00012348
-0.03997988 -0.00904267 -0.01428606
8.91313280 -3.43289448 6.36577286
0.00046329 -0.00045877 0.00016882
-0.03492954 0.00915248 0.00614494
-21.44928255 1.60996970 24.52620957
-0.00028531 -0.00006113 -0.00016331
-0.01619818 -0.01739921 -0.01441283
24.90760834 -1.72448966 -6.49212149
-0.00000839 -0.00006692 -0.00005555
0.00056950 0.00828422 0.02038663
11.69038005 -11.83014629 -9.99887102
0.00026439 -0.00003552 0.00003203
-0.00833381 -0.01873454 -0.02553018
-4.86214614 -10.26226395 16.60762718
0.00013947 -0.00011621 -0.00027665
0.04215469 -0.02060251 0.03525450
8.14147318 2.30714378 -30.57452875
0.00016819 0.00035923 -0.00053919
-0.02591290 -0.00088789 -0.00511332
10.86103050 17.17162345 14.76686972
0.00021470 -0.00033265 -0.00029561
0.02242131 -0.00655543 -0.01518017
30.66567950 7.27518014 -7.65085143
-0.00017800 0.00006105 0.00025639
-0.00357725 -0.00096110 0.01117060
5.77769789 -30.08587699 -5.28503766
0.00027574 -0.00018698 0.00018922
-0.00535130 -0.01509089 0.02076208
3.93304282 -30.86234352 -3.09326139
0.00041515 -0.00047279 0.00026619
0.00105685 0.00808072 0.00469905
-12.41919651 -1.98603899 -13.39556415
-0.00044168 0.00101526 -0.00061301
0.00054874 -0.00203674 0.01590667
-11.64916062 0.66767705 -12.64885725
0.00021086 0.00081872 0.00013268
-0.00461570 -0.00907527 0.01035378
-37.94762605 3.70930085 2.25239964
-0.00078022 0.00051530 0.00054568
-0.00804552 0.03453783 -0.02513370
-39.68556376 1.67363012 3.36550026
-0.00021322 0.00109155 -0.00025853
0.00040345 0.00076870 -0.00263809
-9.77778508 -3.26303264 0.71812272
0.00027875 -0.00071687 -0.00017757
-0.00821928 0.00234877 0.01001704
-8.22194608 -3.57165650 3.26458494
0.00014081 0.00004660 0.00137892
0.00952122 -0.00977129 -0.00144087
0.07623021 -0.42029082 7.17758792
-0.00007625 -0.00083804 0.00022449
0.01772742 0.00415952 0.04182753
1.95810456 1.08101491 8.89823764
-0.00010795 0.00020781 0.00041917
0.00930407 0.00892509 0.00080944
-32.16125784 1.05805714 2.51301916
-0.00041543 -0.00055434 0.00028192
0.00502206 -0.00749430 -0.01063018
-34.20837216 3.04764936 2.21477443
0.00053870 0.00090557 -0.00074044
0.02467735 -0.00379470 -0.01178553
12.76353397 12.77016768 -15.29880535
0.00130346 0.00041681 0.00020772
-0.03896413 -0.01617784 -0.01671698
15.50849863 12.94205355 -15.19178381
0.00039035 -0.00122450 -0.00005469
-0.01166785 0.01274495 0.02357921
-3.95922906 8.82691651 4.76485757
-0.00017257 0.00001465 0.00029323
0.00471236 0.00151252 -0.01583551
-3.38972280 6.82362339 2.32191777
-0.00045773 -0.00026736 -0.00149892
-0.00482010 0.01452434 0.03073762
5.93112659 16.14131944 -10.24503774
0.00067090 -0.00059946 0.00134655
-0.00114865 -0.00043272 0.00274173
7.57215205 16.90600258 -7.99775974
-0.00003748 -0.00011807 0.00008348
-0.00332188 0.00186629 -0.00030511
7.92835538 7.17687636 -22.48883800
-0.00031918 -0.00009267 -0.00057440
0.00840648 0.00140249 -0.02530581
8.02099201 7.61778301 -19.72745629
-0.00042269 0.00094741 0.00041915
0.00075068 0.00655144 0.00301618
21.76462455 17.92096623 -2.32507436
-0.00031316 -0.00012708 -0.00055185
0.01184012 -0.01052240 0.00368117
24.54283554 18.04649917 -3.32490805
0.00027331 -0.00063589 -0.00003678
0.01013646 0.01376929 -0.01497338
1.26071225 11.06540367 -21.56199698
0.00015248 0.00023151 0.00036163
-0.00726380 0.02713083 0.00514146
0.71818340 14.09028091 -22.24951075
-0.00062152 -0.00056695 -0.00032393
0.00630516 -0.00964715 -0.00001266
9.81801949 -5.36640101 -1.58454923
-0.00075193 -0.00121174 -0.00009614
0.00513440 0.01323419 -0.00255583
8.96272420 -2.48596788 -2.30902796
0.00076843 0.00017714 -0.00201120
0.02026691 -0.02343705 0.00832288
-18.95393697 -4.11045071 5.20300893
-0.00007180 -0.00020622 0.00070396
0.01060585 0.00594861 -0.00871475
-17.10008764 -3.04473839 3.05112131
0.00050640 0.00029985 0.00029904
-0.01890702 -0.00385899 0.01385697
-15.42313651 0.13142419 16.76257605
-0.00020310 0.00043408 -0.00024440
0.00747163 0.00124223 0.01249397
-13.78784644 1.17896018 18.96870708
0.00021892 -0.00065039 -0.00009589
-0.01800784 -0.00602232 -0.00577766
3.17774130 3.55966640 -4.52130369
-0.00024476 0.00061988 0.00061260
-0.00472407 0.00513651 0.01381081
3.49452423 1.05898544 -3.22068513
-0.00112905 -0.00000376 0.00029166
-0.00178054 0.01968015 0.01057039
22.82660846 -9.48408991 -10.29505072
0.00027685 0.00011244 -0.00010905
0.01557309 0.01482481 0.00752514
24.89195465 -7.86459500 -8.63618276
-0.00053485 0.00017355 -0.00008523
0.02486844 -0.00602939 0.01202376
2.26688426 -8.67786213 5.26861608
0.00062724 -0.00121514 0.00101795
0.00766219 -0.00502302 -0.01029501
2.68314663 -7.77755877 8.00993460
-0.00088664 -0.00139855 0.00033393
0.00116637 -0.00090359 -0.00223695
-3.98784990 -2.84918060 -17.52851621
0.00101414 0.00062837 -0.00066422
0.00492792 -0.01532292 -0.00483710
-4.89729562 -0.35716820 -16.94865827
-0.00051419 -0.00006634 -0.00001900
-0.00465675 0.00955411 -0.00294420
2.23925318 4.74492924 -12.17887903
0.00009369 -0.00040109 0.00078140
-0.00314104 -0.00186212 0.01983556
2.21857986 3.62628905 -9.30698972
-0.00031210 0.00073638 0.00052226
-0.01325368 0.00739116 -0.01193839
-0.93307005 16.24399455 13.28932402
-0.00031074 0.00097433 -0.00070561
-0.02071238 -0.00567598 0.00862720
-2.46489126 17.10274867 15.63113851
-0.00034187 0.00025117 -0.00004862
0.00228125 0.00571049 0.04410342
-1.66450371 1.08307142 -5.66336497
0.00017849 0.00006511 0.00076108
-0.00576293 -0.00424227 0.00133942
-2.78951668 0.99231980 -8.36289385
0.00006498 -0.00028636 -0.00031909
-0.02055126 -0.03519978 -0.02997447
-8.07903840 -2.90696214 -5.04556973
0.00033161 -0.00026622 0.00086113
-0.03230978 -0.02947840 -0.01181618
-7.42404331 -0.40565366 -4.06225928
0.00036923 -0.00037198 0.00031753
0.00780315 0.00256376 0.00113152
1.37914157 28.43172410 5.89134864
-0.00022136 -0.00057095 -0.00028087
0.02597605 0.00624280 -0.04330242
-1.25607859 28.46643905 6.71236480
0.00008391 -0.00009011 0.00036920
-0.07157713 0.00312350 -0.03344696
8.35357440 -9.09719983 -2.22247649
-0.00017657 0.00011154 -0.00043375
-0.00299627 -0.00669524 0.00851437
10.05005957 -10.05610286 0.14443849
0.00040976 0.00020017 -0.00052991
-0.00321224 0.01064387 -0.00908822
-5.73797362 0.12328599 9.18132976
-0.00085957 0.00055190 0.00115086
-0.01535092 0.00242765 -0.03047614
-8.42024197 -0.27512955 8.16833484
-0.00001588 0.00034072 0.00063560
-0.01100158 -0.00721855 -0.00011111
19.80628635 11.30153142 7.63677702
-0.00037685 -0.00051391 0.00129805
0.01530579 -0.00525076 0.02683493
19.52122720 13.03413472 5.47325713
-0.00051983 0.00045039 0.00075449
0.01046028 0.01634409 -0.01088338
-3.10806991 -2.60934925 -22.16164513
0.00142188 0.00028518 -0.00100060
0.01230357 0.03105874 0.03885533
-4.78409917 -3.25307214 -24.20230023
-0.00009764 -0.00084794 0.00014435
0.01025267 -0.01839521 -0.00620277
-12.48472495 9.20838512 9.41646183
-0.00007857 -0.00017801 0.00054844
0.00119697 0.00004547 0.00348409
-13.15148491 8.76291858 6.59536975
-0.00018854 -0.00051634 0.00024230
0.00223085 0.00521414 0.00824601
-12.56842787 7.41774024 -4.43001960
0.00004217 -0.00015717 -0.00001829
-0.00784288 -0.00579287 -0.00348748
-11.47059834 9.18738214 -2.52873571
0.00011502 0.00042228 0.00005226
0.00375162 0.01867163 0.00743846
-4.88848815 -17.38589139 20.12590008
-0.00015228 -0.00032713 -0.00066445
0.03651689 0.02704069 0.00184442
-1.85538149 -17.16831371 19.68757063
-0.00071883 0.00078989 -0.00053914
-0.01644217 0.00752952 0.00488420
-3.64321281 5.48858252 -6.87660556
-0.00016880 -0.00018400 -0.00038648
0.00681380 -0.00105675 -0.00284822
-3.58041699 8.46696028 -6.89772268
-0.00012475 -0.00106094 -0.00047487
-0.00272046 -0.01214492 -0.00520346
-21.17024332 28.30347661 0.11759112
-0.00044766 -0.00065389 0.00038030
0.00943815 0.00036513 0.00608160
-18.86702974 29.36293319 1.72631404
0.00113253 0.00041839 0.00008676
-0.01192952 -0.00210771 -0.01608786
8.91335735 2.51211014 6.16697835
-0.00093447 -0.00011093 0.00020350
-0.03965481 -0.01509440 -0.03894303
9.15978066 4.89519741 7.90574786
0.00076254 -0.00130042 -0.00003246
-0.00584064 0.00126518 0.00074159
7.08486851 14.93262196 -14.87936876
0.00050321 0.00132835 0.00018754
-0.01249822 -0.00337539 0.03826522
6.29867634 12.60455168 -13.21485810
0.00108638 0.00155391 0.00019891
0.00387509 0.03198412 0.00348050
13.29231124 5.23212469 -3.46135055
0.00025831 -0.00042183 -0.00003986
-0.01671681 0.02560427 -0.01133981
13.50824186 3.69444877 -1.08539559
-0.00081294 -0.00175440 0.00111561
-0.00100140 -0.00527953 -0.01278081
-5.43806869 9.61236250 0.09034807
0.00093435 -0.00068039 -0.00041520
0.01934799 -0.02469543 0.00612557
-8.01416323 10.69423173 0.02367316
0.00030848 -0.00157380 -0.00126342
-0.00600350 0.00468796 0.00407914
4.62229345 12.74008111 2.18572351
-0.00023745 0.00029151 -0.00009285
-0.00347244 0.00938981 0.00077905
7.39010321 11.95452716 2.51087110
-0.00040819 0.00133998 0.00033216
-0.01613722 0.02192742 0.01922346
20.68886246 -12.86431658 -10.48427296
0.00065752 -0.00005993 0.00094927
-0.02101304 -0.01285097 0.02293822
22.08732770 -13.61672653 -12.78058962
0.00027697 -0.00013999 -0.00010385
0.01639152 -0.02343488 -0.02205141
18.08516836 -6.02725081 2.13366256
-0.00043198 0.00046326 0.00061949
-0.02804145 -0.01610428 0.00686767
16.12545615 -8.06520988 3.29755963
0.00026670 -0.00081566 -0.00017763
0.00102490 -0.00765408 -0.01195719
14.12118502 8.25032035 10.86799498
-0.00004004 -0.00001972 0.00069744
0.00242503 0.00280937 -0.00398217
16.56366694 6.64462448 11.09148647
0.00026563 -0.00032677 -0.00061815
-0.00908420 0.00633980 -0.00422946
2.50734228 -13.07071416 14.89297805
-0.00160115 0.00012246 0.00000284
-0.00635706 -0.02595465 0.00323357
3.62758600 -12.21501104 17.14977029
-0.00049653 -0.00031166 -0.00000721
0.00565925 -0.01809951 0.01574335
-3.43136463 -2.70207589 -10.16608199
-0.00035559 0.00011924 0.00023502
0.00235463 0.01658561 0.00006331
-1.96634487 -0.46839458 -11.55683844
0.00066436 -0.00021179 -0.00055534
0.01577305 -0.00364463 -0.00942697
14.87393873 -7.59904139 -11.32660299
0.00082739 -0.00023130 0.00095822
0.01323409 -0.00598116 0.01870233
16.79968008 -7.00241837 -8.89272960
0.00037858 -0.00005715 -0.00053891
0.01739161 0.01378902 -0.00706705
7.21939574 -2.78509391 5.75508031
0.00050576 -0.00000442 -0.00138976
0.01533188 -0.01280630 0.01721403
9.93956714 -3.26194108 4.90477728
0.00044967 -0.00114532 -0.00033056
0.02397252 -0.00200060 -0.02046045
-21.55447124 1.28126578 22.68258864
0.00094927 -0.00064616 0.00025184
0.00355463 0.00637875 0.02567198
-22.83447476 0.57667432 25.27880421
-0.00052208 0.00024037 -0.00036074
0.01342032 0.01177074 -0.01212363
25.57520863 -2.84378244 -7.75759555
0.00012930 0.00082338 -0.00041410
0.00257171 -0.00399866 -0.01227946
23.66559543 -0.55242573 -7.09811158
0.00005084 -0.00008775 0.00002676
-0.00003681 -0.00607419 -0.01194969
11.33454973 -12.88122722 -8.59467027
0.00034647 -0.00034565 -0.00065658
-0.01520880 -0.01075560 0.01424892
12.53166031 -10.39662439 -9.40839374
0.00007834 -0.00010374 -0.00011772
0.02281494 0.02924669 0.00654457
-5.36049084 -10.44319002 18.39972222
-0.00059246 0.00011449 0.00027570
-0.00933755 0.00313656 -0.01795973
-6.11913288 -9.84282136 15.44122468
0.00050870 -0.00054596 0.00051422
-0.02894158 0.00816126 -0.01261417
8.91265616 1.11817495 -31.74874661
0.00111138 0.00029762 -0.00030092
0.00401117 -0.00681159 -0.00229195
6.43361756 2.53455978 -31.30076169
0.00035407 0.00040690 -0.00059190
0.01508672 0.00084881 0.00131115
11.43216063 18.27401572 13.37182671
-0.00021384 -0.00093955 0.00001221
-0.00812869 -0.00885052 0.00983043
12.01608947 15.68778293 14.63361269
-0.00045432 -0.00085382 0.00017932
-0.01247050 0.02138352 -0.00112658
30.67628207 5.44967020 -8.05562845
0.00041747 -0.00008388 0.00056457
-0.00182266 0.00666001 0.00126164
28.92183255 7.76135169 -7.26845567
0.00100818 -0.00131345 -0.00064156
0.00700684 -0.00699342 -0.00363967
-8.41967244 4.87981086 5.64297962
-0.00002334 -0.00013742 -0.00001102
0.01010918 0.00691679 0.00636196
-10.75129305 10.14445815 3.42700554
0.00004668 0.00001644 -0.00012709
-0.00081713 -0.00708034 0.00319742
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08300697
0.32645407
434.98367961
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3944388686 (a.u.)
total exchange computation time: 2.7528059483 s
-154.3748248948
-931.41141545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3937535363 (a.u.)
total exchange computation time: 2.7529911995 s
-154.3811439652
Anderson extrapolation: theta=1.3667866429 (1.3667866429)
-931.41165991
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3926924628 (a.u.)
total exchange computation time: 2.7567329407 s
-154.3905324773
Anderson extrapolation: theta=0.0611003806 (0.0611003806)
-931.41180990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3925309004 (a.u.)
total exchange computation time: 2.7536590099 s
-154.3917416232
Anderson extrapolation: theta=2.1122853765 (2.0000000000)
-931.41181720
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.690 s
total exchange = -52.3921802471 (a.u.)
total exchange computation time: 2.7542290688 s
-154.3942782098
Anderson extrapolation: theta=0.3037188137 (0.3037188137)
-931.41182637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3920715006 (a.u.)
total exchange computation time: 2.7550840378 s
-154.3949877329
Anderson extrapolation: theta=1.4313891450 (1.4313891450)
-931.41182865
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3919427948 (a.u.)
total exchange computation time: 2.7532238960 s
-154.3957439632
Anderson extrapolation: theta=0.3679668564 (0.3679668564)
-931.41183098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3919243744 (a.u.)
total exchange computation time: 2.7548840046 s
-154.3957660367
Anderson extrapolation: theta=1.0158912667 (1.0158912667)
-931.41183166
-256.178426 121.587091 -35.761388
566.393562 1066.643106 -418.786226
310.215136 1188.230197 -454.547614
1309.480036
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425851812
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3919286987 (a.u.)
total exchange computation time: 2.7535541058 s
679.18753000
-1084.46942866
89.71624219
-388.58867243
-174.86557451
78.69109207
551.60419304
0.00000000
-931.41183211
5.58514337 -31.22518737 -3.77224175
-0.00033469 -0.00009703 0.00007773
0.00074419 0.01151916 -0.03403617
-11.82673210 -1.01914683 -11.82892504
-0.00017421 -0.00003504 0.00011809
0.00704389 0.01706761 -0.02291399
-37.96696081 2.33293846 3.35188965
0.00031947 -0.00002542 -0.00016612
0.00319750 -0.03260549 0.02520684
-9.67701508 -2.77932798 2.51405995
-0.00072025 0.00016330 -0.00023122
0.00561381 0.01098648 0.00795427
0.72622344 -0.22623941 8.98133659
0.00031307 -0.00014785 -0.00014720
-0.02444642 -0.01648371 -0.04344719
-32.39417573 2.75293426 1.80422590
-0.00011903 0.00004611 -0.00011341
-0.02160079 -0.00235524 0.02182768
13.96060310 13.66340595 -14.37054585
0.00004887 0.00037258 -0.00020743
0.05966072 0.00969075 0.00190751
-4.03310838 7.09733522 4.08573234
-0.00044908 -0.00000660 -0.00016929
-0.00039347 -0.02181815 -0.02041608
5.78009708 16.70579768 -8.48024236
0.00017240 -0.00001016 0.00015235
0.00636806 -0.00192976 0.00773389
6.82808067 7.19402741 -21.04660881
-0.00019334 0.00028821 0.00004939
-0.00806105 -0.00879411 0.02301131
23.45568600 17.10906499 -2.25467316
-0.00035909 0.00002420 0.00032779
-0.01380526 -0.00872515 0.00833313
1.37477859 12.88770143 -21.00834526
0.00012079 0.00016114 0.00032992
-0.00112160 -0.02376492 -0.00741987
10.39656359 -3.59255854 -1.70272639
0.00026846 0.00031740 0.00018888
-0.03047001 -0.00561222 -0.01471073
-17.89728046 -2.66909403 4.69061182
0.00023364 -0.00008105 0.00009777
-0.00138739 -0.00651036 -0.00941099
-15.28511592 0.13294836 18.61362588
-0.00005759 0.00002975 -0.00011043
0.02427401 -0.00343383 -0.00630808
2.76481433 2.75892240 -2.91358985
-0.00013654 0.00002649 0.00006560
-0.00793008 -0.01214491 -0.01515322
23.41795097 -7.82493366 -9.61278429
0.00012432 -0.00032968 -0.00017333
-0.03539421 -0.00465852 -0.02772422
1.42909861 -7.96800261 6.69477261
0.00021581 0.00022619 0.00015687
-0.01275698 0.01100929 0.00337414
-3.75587210 -1.16298331 -18.16452911
0.00027577 0.00033201 0.00032263
0.00781242 0.00764839 0.00248213
3.22950469 4.27160850 -10.67483717
-0.00035644 0.00005024 0.00013562
0.01544826 -0.00687058 -0.00009099
-2.65584465 16.85197925 13.91721321
0.00018490 -0.00016891 0.00022151
0.00912487 0.00278074 -0.05359412
-2.26980199 2.06406104 -7.05961216
-0.00008924 0.00017076 0.00004973
0.02591033 0.03258569 0.04094630
-6.68230354 -2.04209527 -4.43022699
-0.00026030 0.00005364 -0.00019452
0.02900628 0.02854686 0.01563662
0.34589921 28.23179470 7.28102173
0.00005510 0.00017089 0.00020078
0.04448314 -0.01404021 0.06560922
10.03691456 -9.12541081 -1.46342378
0.00012811 -0.00009326 0.00001714
0.00992709 -0.00012708 -0.00629541
-6.84578327 0.39533291 7.57428666
-0.00005670 0.00025629 -0.00000573
0.02552826 0.00560592 0.04001016
18.66486187 11.72667620 6.33887969
0.00033044 -0.00006277 0.00004063
-0.02217900 -0.01441347 -0.00799227
-3.27328750 -3.94250975 -23.28128329
-0.00020832 0.00034167 0.00005772
-0.02747294 -0.01227118 -0.03269122
-13.63821137 8.29924762 8.32129867
0.00006121 0.00016810 0.00025425
-0.00458867 -0.00498094 -0.00835184
-12.07864210 7.48827341 -2.65278540
-0.00042405 -0.00033154 -0.00039063
0.00706332 -0.00345469 -0.00715623
-3.29443244 -16.27144041 20.44998540
-0.00033781 -0.00025501 0.00012826
-0.02640085 -0.03129957 -0.00525758
-3.28146169 6.93818242 -7.92749531
-0.00049981 0.00026990 0.00031032
-0.00420787 0.01624847 -0.00313737
-20.68463821 29.55797651 1.35218846
-0.00010596 0.00023323 -0.00013046
0.01444142 0.00779764 0.00915318
9.79722749 3.20567046 7.49395920
0.00015177 -0.00008260 -0.00001348
0.04164675 0.01157063 0.03357150
6.37509392 14.50205438 -13.13024731
0.00000321 0.00009617 0.00045772
0.01361678 -0.02053647 -0.04497164
14.12967671 3.79817992 -2.84435910
-0.00003254 -0.00005782 0.00004766
0.01973571 -0.03178959 0.03371777
-6.29584802 11.06293230 -0.44511183
0.00002015 -0.00001722 0.00021269
-0.00164917 0.01622494 -0.00972146
6.12383691 13.19428339 3.16093574
0.00036186 0.00014320 -0.00012551
0.00946012 -0.01891715 -0.01108084
21.90318119 -12.26000109 -11.63996977
0.00003810 0.00024464 -0.00035298
0.00090418 0.03202334 0.00930308
16.69504364 -6.35295372 3.35887210
0.00022268 0.00012261 -0.00002108
0.01944420 0.01958027 -0.00074568
15.28979463 7.21773578 9.87103616
0.00018723 -0.00022186 -0.00034675
0.00292982 -0.00749288 0.00513179
3.04695861 -13.85687490 16.48736540
-0.00008503 0.00022594 -0.00023443
0.00351423 0.03844152 -0.02384408
-3.55374785 -0.91833204 -10.77625421
-0.00011089 -0.00053962 -0.00010262
-0.01635790 -0.00729609 0.00156426
15.37015219 -7.91687463 -9.52523054
-0.00000520 0.00014573 -0.00012899
-0.03699041 -0.00966721 -0.00715530
8.91994735 -3.43974068 6.36832887
0.00044508 -0.00045360 0.00017079
-0.03586593 0.01094299 0.00151914
-21.45362472 1.60898556 24.52370434
-0.00029336 -0.00006984 -0.00017011
-0.01508750 -0.01645940 -0.01205442
24.90748475 -1.72546146 -6.49287616
-0.00000819 -0.00006254 -0.00004483
0.00019205 0.00873591 0.02130503
11.69431370 -11.83075131 -9.99848907
0.00026012 -0.00004505 0.00001815
-0.00825369 -0.01832043 -0.02843797
-4.85989153 -10.26408651 16.60361337
0.00016205 -0.00012728 -0.00025610
0.04566399 -0.02245682 0.04465059
8.14389609 2.31252881 -30.58263638
0.00015544 0.00035848 -0.00054189
-0.02368140 -0.00203033 -0.00535618
10.86433743 17.16660849 14.76237706
0.00022560 -0.00033676 -0.00030233
0.01996181 -0.00945532 -0.01097110
30.66299570 7.27609212 -7.64696254
-0.00017699 0.00005945 0.00026141
0.00751297 -0.00523299 0.00835063
5.78167004 -30.08914419 -5.28156314
0.00025245 -0.00024766 0.00027318
-0.00605215 -0.01460956 0.02033482
3.93930246 -30.86918778 -3.08912459
0.00040990 -0.00043713 0.00028864
-0.00362760 0.00937761 0.00629285
-12.42580487 -1.97087245 -13.40427182
-0.00043889 0.00100560 -0.00054681
0.00081559 -0.00269567 0.01649841
-11.64613919 0.67967973 -12.64654971
0.00019111 0.00077339 0.00017872
-0.00505326 -0.01311146 0.01217904
-37.95957592 3.71808867 2.25981464
-0.00081049 0.00065695 0.00044385
-0.00676897 0.03480108 -0.02471422
-39.68874964 1.69002696 3.36154152
-0.00021019 0.00109293 -0.00026759
0.00107765 -0.00009669 -0.00179997
-9.77385577 -3.27371366 0.71576619
0.00024516 -0.00070643 -0.00013537
-0.00821871 0.00276202 0.01064024
-8.21954214 -3.57125696 3.28522451
0.00016168 0.00001627 0.00136299
0.00069421 -0.00507421 -0.00635499
0.07562971 -0.43273400 7.18223694
-0.00000321 -0.00081960 0.00039259
0.01802648 0.00486934 0.04046227
1.95677039 1.08440561 8.90455006
-0.00007014 0.00024462 0.00042109
0.00920596 0.00909221 0.00012669
-32.16733534 1.04951239 2.51692222
-0.00039671 -0.00057693 0.00023479
0.00413838 -0.00356361 -0.01243931
-34.19953544 3.06111656 2.20330674
0.00063121 0.00089081 -0.00078665
0.02060757 -0.00342603 -0.01083526
12.78189195 12.77592410 -15.29620181
0.00112820 0.00034046 0.00012877
-0.04682763 -0.02119505 -0.02192960
15.51399633 12.92407655 -15.19188161
0.00033713 -0.00116746 0.00004585
-0.01438454 0.01517572 0.02563646
-3.96167324 8.82718263 4.76877085
-0.00015313 0.00001904 0.00022675
0.00480560 0.00063648 -0.01670961
-3.39673641 6.82005799 2.30037594
-0.00048164 -0.00020578 -0.00136010
-0.00688304 0.01561977 0.03721117
5.94115483 16.13231434 -10.22475543
0.00066579 -0.00060492 0.00134459
-0.00134977 -0.00223979 -0.00370382
7.57148800 16.90428868 -7.99651694
-0.00004840 -0.00010955 0.00008407
-0.00202318 0.00230503 0.00059498
7.92382531 7.17552926 -22.49822944
-0.00028809 -0.00008655 -0.00067085
0.00681222 0.00159494 -0.02190544
8.01467459 7.63219494 -19.72107665
-0.00042120 0.00097326 0.00042683
-0.00002045 0.00610172 0.00074518
21.76029002 17.91873757 -2.33323929
-0.00026525 -0.00016947 -0.00053692
0.01161143 -0.01022948 0.00362865
24.54724579 18.03738278 -3.32591862
0.00031101 -0.00058247 -0.00009483
0.00831806 0.01238060 -0.01343951
1.26277690 11.06970763 -21.55641496
0.00012293 0.00034016 0.00038299
-0.00720431 0.02605421 0.00531533
0.70905374 14.08148104 -22.25437010
-0.00059420 -0.00060699 -0.00032095
0.00707205 -0.00995077 0.00147104
9.80689782 -5.38417161 -1.58606959
-0.00072312 -0.00113688 -0.00010767
0.00896817 0.02341267 -0.00308800
8.97487163 -2.48402897 -2.33894089
0.00085207 0.00008049 -0.00197483
0.02067520 -0.02387336 0.00948159
-18.95468902 -4.11336169 5.21330135
-0.00002454 -0.00017840 0.00066571
0.01252873 0.00766866 -0.01000952
-17.09307102 -3.04035886 3.05603159
0.00042893 0.00028242 0.00035323
-0.01901551 -0.00467318 0.01266691
-15.42595411 0.13797347 16.75929297
-0.00017265 0.00043909 -0.00019162
0.00743573 0.00120910 0.01333771
-13.78511442 1.16901976 18.96709174
0.00014739 -0.00067307 -0.00011877
-0.01700939 -0.00507688 -0.00542217
3.17392514 3.56912204 -4.51169146
-0.00026254 0.00064108 0.00066569
-0.00397911 0.00524102 0.01217473
3.47753397 1.05953217 -3.21598630
-0.00113367 0.00007273 0.00033247
-0.00048170 0.01776158 0.00940568
22.83123838 -9.48194900 -10.29645588
0.00033930 0.00016820 -0.00007984
0.01499722 0.01247156 0.00677574
24.88469401 -7.86217647 -8.63709283
-0.00042594 0.00014821 -0.00003126
0.02844395 -0.00637515 0.01439665
2.27652770 -8.69624316 5.28356986
0.00065678 -0.00123481 0.00097710
0.00679535 -0.00460700 -0.00970028
2.66988270 -7.79856464 8.01487498
-0.00087400 -0.00140018 0.00033445
0.00502531 0.00010156 0.00249274
-3.97248674 -2.84022458 -17.53862780
0.00103278 0.00055591 -0.00067960
0.00419311 -0.02014650 -0.00269122
-4.90515120 -0.35787058 -16.94903348
-0.00053187 -0.00002864 -0.00003118
-0.00399448 0.00890283 -0.00301788
2.24056227 4.73885578 -12.16655015
0.00007445 -0.00040504 0.00085239
-0.00627523 -0.00007097 0.01491213
2.21349224 3.63756128 -9.29952158
-0.00036573 0.00076655 0.00047332
-0.01300018 0.00737358 -0.01202256
-0.93836592 16.25843557 13.27900419
-0.00039142 0.00094937 -0.00066907
-0.01877634 -0.00654293 0.00925971
-2.46994942 17.10669114 15.63176066
-0.00033087 0.00027458 0.00013467
0.00310242 0.00574914 0.04562022
-1.66200288 1.08391801 -5.65190766
0.00015111 0.00005365 0.00075729
-0.00764404 -0.00136749 -0.00319884
-2.78917173 0.98694575 -8.36859870
-0.00001563 -0.00042452 -0.00043351
-0.01890902 -0.03242941 -0.02603523
-8.07505426 -2.91185873 -5.03301481
0.00018973 -0.00039176 0.00080918
-0.03714324 -0.03197285 -0.01361461
-7.41826578 -0.41115479 -4.05746160
0.00039708 -0.00035507 0.00032306
0.00583050 0.00571487 0.00157321
1.37661714 28.42335112 5.88580864
-0.00011830 -0.00054633 -0.00045426
0.02447338 0.00581169 -0.04157147
-1.25701323 28.46518304 6.71687789
-0.00020810 -0.00007765 0.00023282
-0.07136353 0.00297985 -0.03331277
8.35083406 -9.09573192 -2.22872186
-0.00018356 0.00008328 -0.00039583
-0.00042647 -0.00713596 0.01004973
10.05610749 -10.05277419 0.13621139
0.00039589 0.00023902 -0.00055876
-0.00357717 0.00837551 -0.00503315
-5.75133753 0.13163889 9.19765873
-0.00092113 0.00056212 0.00102178
-0.01478227 0.00257395 -0.03270994
-8.42081729 -0.27023999 8.17786546
-0.00005998 0.00031198 0.00063284
-0.01058564 -0.00684659 -0.00123908
19.80110269 11.29366181 7.65707012
-0.00032066 -0.00053140 0.00139860
0.01219959 -0.00331042 0.02238284
19.51375024 13.04139145 5.48424092
-0.00047298 0.00052106 0.00070873
0.01247671 0.01824839 -0.01151637
-3.08636475 -2.60411987 -22.17546355
0.00147233 0.00041954 -0.00083805
0.01239612 0.03471416 0.04071563
-4.78524960 -3.26635498 -24.20032504
-0.00005984 -0.00091877 0.00011828
0.00824890 -0.01627640 -0.00656130
-12.48586682 9.20571634 9.42479518
-0.00007283 -0.00017668 0.00056160
0.00161350 0.00060441 0.00295837
-13.15424459 8.75533320 6.59925690
-0.00017772 -0.00049326 0.00027403
0.00306155 0.00608422 0.00728716
-12.56803571 7.41520515 -4.43040076
0.00000834 -0.00018044 -0.00003867
-0.00871663 -0.00559884 -0.00649018
-11.46875814 9.19428844 -2.52772387
0.00012454 0.00048352 0.00008106
0.00091109 0.01130580 0.00665734
-4.88965342 -17.38996979 20.11598978
-0.00000480 -0.00021672 -0.00065570
0.03567586 0.02700783 0.00244111
-1.86666776 -17.15623457 19.67963317
-0.00077920 0.00081703 -0.00052196
-0.01311151 0.00575574 0.00352797
-3.64553609 5.48579007 -6.88248997
-0.00014120 -0.00018954 -0.00039697
0.00669646 -0.00165082 -0.00228793
-3.58237155 8.45067403 -6.90500515
-0.00013945 -0.00109349 -0.00048394
-0.00447553 -0.00378758 0.00076255
-21.17666894 28.29367941 0.12348194
-0.00040696 -0.00064896 0.00040862
0.01048074 0.00205023 0.00778060
-18.85040733 29.36914444 1.72712252
0.00106897 0.00041085 0.00001722
-0.01918220 -0.00158215 -0.01795260
8.89812518 2.50998363 6.16883759
-0.00109138 -0.00016878 0.00005233
-0.03715628 -0.01322366 -0.03505741
9.17103981 4.87572983 7.90528368
0.00073218 -0.00127841 -0.00002478
-0.00902224 0.00950992 0.00301964
7.09203363 14.95244371 -14.87538315
0.00044948 0.00131223 0.00035010
-0.01380081 -0.00451160 0.04131013
6.31509075 12.62884047 -13.21176779
0.00110109 0.00166510 0.00021235
0.00332743 0.02244502 0.00309592
13.29567367 5.22658187 -3.46229596
0.00018618 -0.00031215 -0.00008621
-0.01859236 0.02808586 -0.01134740
13.49601711 3.66797092 -1.06905309
-0.00081315 -0.00177233 0.00105077
0.00089504 -0.00349648 -0.01895877
-5.42346054 9.60139991 0.08430779
0.00100566 -0.00076798 -0.00039527
0.01555897 -0.01817925 0.00362879
-8.00972007 10.67076843 0.00484684
0.00027912 -0.00155576 -0.00124502
-0.00836395 0.00414263 0.00492615
4.61862529 12.74474147 2.18435469
-0.00024628 0.00033135 -0.00008659
-0.00085074 0.01011511 0.00228386
7.38348591 11.97529878 2.51644263
-0.00046123 0.00141672 0.00040373
-0.00982781 0.01563824 0.01580827
20.69808133 -12.86560937 -10.46933094
0.00057922 -0.00010949 0.00103539
-0.01731306 -0.01140732 0.01921805
22.09198450 -13.61954453 -12.78282304
0.00034319 -0.00023348 -0.00019121
0.01602326 -0.02232798 -0.02071535
18.07782939 -6.02079541 2.14316528
-0.00053777 0.00039897 0.00063982
-0.02374472 -0.01536625 0.00308502
16.12948799 -8.07767925 3.29452871
0.00027539 -0.00083259 -0.00022605
0.00323187 -0.00063739 -0.01174178
14.12065868 8.25011062 10.87833457
-0.00002336 -0.00001417 0.00067442
0.00574282 -0.00009036 -0.00728683
16.56737306 6.63991719 11.08208463
0.00022959 -0.00030139 -0.00063469
-0.00856105 0.00608204 -0.00386542
2.48313026 -13.06967261 14.89311973
-0.00162476 0.00001617 0.00001920
-0.00520110 -0.02607376 0.00477323
3.62031141 -12.22024059 17.15014462
-0.00047113 -0.00037961 0.00005814
0.00677482 -0.01516171 0.01624647
-3.43662638 -2.69977904 -10.16255475
-0.00034524 0.00018099 0.00023650
0.00271502 0.01364166 0.00066174
-1.95589619 -0.47168311 -11.56545744
0.00071697 -0.00023060 -0.00058792
0.00998165 -0.00556325 -0.00652041
14.88675511 -7.60269414 -11.31165659
0.00087685 -0.00025270 0.00101987
0.01097501 -0.00449731 0.01147412
16.80589166 -7.00285309 -8.90102980
0.00044827 -0.00000230 -0.00056731
0.01672598 0.01305881 -0.00683638
7.22745200 -2.78555268 5.73476140
0.00057201 -0.00005899 -0.00131495
0.01709660 -0.01390672 0.01940828
9.94704679 -3.27918222 4.89919191
0.00054516 -0.00115445 -0.00040845
0.02276943 -0.00246713 -0.01766895
-21.54012323 1.27176880 22.68715292
0.00096264 -0.00062082 0.00035135
0.00298812 0.00602499 0.02303876
-22.84189471 0.58064051 25.27302168
-0.00046820 0.00028753 -0.00040952
0.01295604 0.01131455 -0.01175877
25.57722693 -2.83155422 -7.76418340
0.00014125 0.00080472 -0.00046609
0.00327944 -0.00513609 -0.01316809
23.66635687 -0.55392810 -7.09807631
0.00004974 -0.00011120 -0.00002207
-0.00049958 -0.00540408 -0.01195291
11.33928067 -12.88674150 -8.60408232
0.00028339 -0.00039215 -0.00059318
-0.01566938 -0.01200997 0.01678643
12.53353456 -10.39728432 -9.40995906
0.00017245 0.00001711 -0.00008971
0.02325068 0.02991178 0.00716710
-5.36966389 -10.44137663 18.40330743
-0.00062687 0.00012758 0.00019468
-0.00750438 0.00327096 -0.02169963
-6.11238918 -9.85076068 15.44855138
0.00037951 -0.00050879 0.00045188
-0.03430172 0.01003163 -0.01789733
8.92944984 1.12243047 -31.75333068
0.00112436 0.00027228 -0.00030793
0.00233940 -0.00559104 -0.00113651
6.43939098 2.54068930 -31.30960005
0.00041414 0.00040978 -0.00058806
0.01431609 0.00055921 0.00056964
11.42870393 18.25965124 13.37231115
-0.00024313 -0.00097031 0.00004478
-0.00620695 -0.00620722 0.00611153
12.00889253 15.67563086 14.63626795
-0.00050427 -0.00076585 0.00017395
-0.01197906 0.02167853 -0.00150260
30.68248821 5.44861615 -8.04712127
0.00041091 -0.00005617 0.00056925
-0.00138447 0.00690403 0.00103151
28.93716990 7.74143568 -7.27819067
0.00101349 -0.00133362 -0.00065128
-0.00440793 -0.00288263 -0.00111761
-8.41999545 4.87776813 5.64283133
-0.00001971 -0.00013491 -0.00000877
0.01021453 0.00709669 0.00620850
-10.75059424 10.14469248 3.42510482
0.00004649 0.00001478 -0.00012635
-0.00085323 -0.00725897 0.00317304
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08375134
0.32808077
437.15117530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3970976618 (a.u.)
total exchange computation time: 2.7645668983 s
-154.3857529361
-931.41225060
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3964723091 (a.u.)
total exchange computation time: 2.7660088539 s
-154.3919665572
Anderson extrapolation: theta=1.3788574745 (1.3788574745)
-931.41249593
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3955492216 (a.u.)
total exchange computation time: 2.7664940357 s
-154.4009907603
Anderson extrapolation: theta=0.0658642967 (0.0658642967)
-931.41264822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3954438728 (a.u.)
total exchange computation time: 2.7654249668 s
-154.4019718758
Anderson extrapolation: theta=2.2212490050 (2.0000000000)
-931.41265618
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3952295348 (a.u.)
total exchange computation time: 2.7658519745 s
-154.4039284299
Anderson extrapolation: theta=0.3590789386 (0.3590789386)
-931.41266619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3951659409 (a.u.)
total exchange computation time: 2.7649438381 s
-154.4044763123
Anderson extrapolation: theta=1.1488943727 (1.1488943727)
-931.41266869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3951202745 (a.u.)
total exchange computation time: 2.7683811188 s
-154.4048329814
Anderson extrapolation: theta=0.4397173213 (0.4397173213)
-931.41267062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.3951263058 (a.u.)
total exchange computation time: 2.7667720318 s
-154.4047378464
Anderson extrapolation: theta=0.8469323463 (0.8469323463)
-931.41267121
-256.156287 121.529169 -35.747392
566.411821 1066.612056 -418.764549
310.255534 1188.141225 -454.511941
1309.396492
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3951497443 (a.u.)
total exchange computation time: 2.7669210434 s
679.24656478
-1084.57953755
89.70430077
-388.51428787
-174.87456187
78.74896599
551.60419304
0.00000000
-931.41267148
5.58012591 -31.22659833 -3.77120712
-0.00033290 -0.00009164 0.00006009
0.00621841 0.00944304 -0.03454077
-11.82931806 -1.01960653 -11.82724213
-0.00017047 -0.00002520 0.00010576
0.00748308 0.02116232 -0.02501442
-37.96215641 2.33243146 3.34949508
0.00032063 -0.00004168 -0.00015373
0.00131638 -0.03063430 0.02295910
-9.68779711 -2.77683605 2.51062232
-0.00071518 0.00016779 -0.00022592
0.01407923 0.00645930 0.01265358
0.73082520 -0.22852069 8.97896099
0.00030055 -0.00015640 -0.00016873
-0.02426080 -0.01679734 -0.04027533
-32.39604447 2.75361680 1.80260901
-0.00012860 0.00004379 -0.00010211
-0.01561397 -0.00664424 0.02209732
13.96156624 13.66903206 -14.37365001
0.00008169 0.00037802 -0.00020584
0.06796302 0.01145764 0.00430103
-4.03984604 7.09715200 4.08311427
-0.00044881 -0.00001786 -0.00018095
0.00141386 -0.02193494 -0.02494694
5.78270768 16.70563779 -8.47792720
0.00017534 -0.00001074 0.00015775
0.00504372 -0.00030967 0.01325724
6.82514953 7.19831667 -21.04577916
-0.00019680 0.00028375 0.00006081
-0.00539162 -0.00857310 0.02137362
23.45024640 17.10939426 -2.24972421
-0.00036543 0.00002004 0.00033156
-0.01086061 -0.00743292 0.00634612
1.37658607 12.89002687 -21.00342502
0.00012004 0.00014937 0.00032573
-0.00179975 -0.02199193 -0.00888982
10.40047297 -3.58781920 -1.69994989
0.00025188 0.00031221 0.00018111
-0.03401004 -0.01457428 -0.01550231
-17.89378128 -2.67033492 4.69204200
0.00023248 -0.00008456 0.00009356
-0.00310145 -0.00713746 -0.00693257
-15.28588616 0.13338135 18.61194504
-0.00004543 0.00002772 -0.00011396
0.02300875 -0.00445616 -0.00740729
2.76273560 2.75927296 -2.91266426
-0.00014116 0.00002078 0.00005858
-0.01003637 -0.01006093 -0.01215051
23.41967929 -7.82989681 -9.61549123
0.00010574 -0.00033121 -0.00018773
-0.03686367 -0.00129832 -0.02827282
1.43228650 -7.96456730 6.69713862
0.00020863 0.00023154 0.00015712
-0.01515177 0.00980827 -0.00238236
-3.75170548 -1.15797371 -18.15968014
0.00027978 0.00033726 0.00032351
0.00781020 0.01279667 0.00094802
3.22421761 4.27233565 -10.67280328
-0.00034770 0.00004622 0.00013695
0.01856159 -0.00879335 0.00528775
-2.65303595 16.84945625 13.92032914
0.00018883 -0.00016721 0.00019406
0.00615672 0.00384440 -0.05315839
-2.27104072 2.06674819 -7.05870825
-0.00007603 0.00018586 0.00007047
0.02546935 0.02609989 0.03972046
-6.68609620 -2.04118062 -4.43308449
-0.00024409 0.00006781 -0.00018642
0.03404989 0.02657098 0.01585583
0.34689735 28.23430386 7.28428649
0.00007765 0.00016400 0.00023329
0.04320070 -0.01272795 0.06080762
10.03887453 -9.12681013 -1.46319095
0.00013255 -0.00009260 0.00001238
0.00733468 0.00268910 -0.01221117
-6.84653523 0.39919884 7.57435512
-0.00004400 0.00025895 0.00001555
0.02382788 0.00475381 0.04271386
18.66973293 11.72567898 6.33945824
0.00031952 -0.00007111 0.00003787
-0.02030754 -0.01799873 -0.00270705
-3.27651834 -3.93743199 -23.28054364
-0.00022181 0.00033436 0.00004099
-0.02496099 -0.01617141 -0.03233683
-13.63731087 8.30174990 8.32508020
0.00005856 0.00016524 0.00025036
-0.00572149 -0.00615067 -0.00677186
-12.08497560 7.48328696 -2.65867239
-0.00041955 -0.00033145 -0.00039324
0.01043204 0.00381960 -0.00299466
-3.29960150 -16.27538630 20.45188895
-0.00035201 -0.00027047 0.00012594
-0.02880645 -0.02881620 -0.00374916
-3.28897508 6.94229358 -7.92285258
-0.00050139 0.00027595 0.00030690
-0.00192976 0.00729104 -0.01017429
-20.68617191 29.56150499 1.35026680
-0.00009713 0.00023669 -0.00012575
0.01990285 0.00565152 0.00917524
9.79966471 3.20447603 7.49388650
0.00017304 -0.00007960 0.00000172
0.04107757 0.00011732 0.02552560
6.37519460 14.50341767 -13.12355493
0.00001062 0.00008867 0.00043420
0.01519746 -0.00862544 -0.04648645
14.12926470 3.79718995 -2.84351419
-0.00002261 -0.00007497 0.00006665
0.01887261 -0.03488553 0.04015135
-6.29555215 11.06273654 -0.44195899
0.00002086 -0.00001050 0.00020815
0.00442403 0.00992641 -0.00794235
6.12930123 13.19635848 3.15901030
0.00036413 0.00013521 -0.00013060
-0.00060020 -0.01217385 -0.00871861
21.90375621 -12.25620803 -11.64522861
0.00003755 0.00026008 -0.00034765
-0.00305517 0.02801891 0.01142530
16.69845891 -6.35103899 3.35855296
0.00023084 0.00013068 -0.00002041
0.01227260 0.01177693 0.00337141
15.29261445 7.21437898 9.86585475
0.00018773 -0.00022490 -0.00034347
-0.00099929 -0.00431201 0.00760239
3.04569677 -13.85333759 16.48375704
-0.00008382 0.00024477 -0.00024716
0.00117197 0.03480217 -0.02567524
-3.55547426 -0.92645443 -10.77778750
-0.00011784 -0.00054190 -0.00010274
-0.01067372 -0.00159409 -0.00201348
15.36993150 -7.91472601 -9.52719301
-0.00002324 0.00014066 -0.00013051
-0.03314285 -0.01003944 0.00126626
8.92648521 -3.44650245 6.37089659
0.00042668 -0.00044757 0.00017024
-0.03568051 0.01248409 -0.00365017
-21.45808328 1.60787444 24.52110612
-0.00030073 -0.00007795 -0.00017560
-0.01359847 -0.01506774 -0.00927228
24.90736264 -1.72636585 -6.49346647
-0.00000815 -0.00005803 -0.00003376
-0.00002992 0.00880608 0.02176326
11.69818369 -11.83149767 -9.99832651
0.00025605 -0.00005415 0.00000307
-0.00759328 -0.01708217 -0.03019193
-4.85728463 -10.26608231 16.59994403
0.00018616 -0.00013917 -0.00023118
0.04808135 -0.02378964 0.05226795
8.14613630 2.31789818 -30.59078533
0.00014394 0.00035709 -0.00054471
-0.02101315 -0.00337175 -0.00561378
10.86779835 17.16152058 14.75779976
0.00023510 -0.00034231 -0.00030678
0.01700420 -0.01213606 -0.00631534
30.66036987 7.27696372 -7.64300923
-0.00017003 0.00005568 0.00026497
0.01954152 -0.00942598 0.00550402
5.78527129 -30.09330676 -5.27684238
0.00022650 -0.00030552 0.00035426
-0.00664810 -0.01371503 0.01935587
3.94533978 -30.87545733 -3.08460212
0.00038575 -0.00039626 0.00031759
-0.00819206 0.01062508 0.00787607
-12.43236326 -1.95587111 -13.41196837
-0.00043510 0.00099315 -0.00047851
0.00104136 -0.00339653 0.01693474
-11.64342745 0.69087886 -12.64349576
0.00016964 0.00071278 0.00023149
-0.00545192 -0.01655864 0.01365205
-37.97194063 3.72900931 2.26571499
-0.00083538 0.00079657 0.00034616
-0.00541809 0.03354402 -0.02310202
-39.69186946 1.70641788 3.35747246
-0.00020439 0.00109066 -0.00027322
0.00176182 -0.00100985 -0.00095609
-9.77043015 -3.28422541 0.71406176
0.00021160 -0.00069435 -0.00009092
-0.00821030 0.00315042 0.01111530
-8.21709565 -3.57116841 3.30547462
0.00014786 0.00000429 0.00132735
-0.00746009 -0.00078920 -0.01109191
0.07613399 -0.44487876 7.18936574
0.00007022 -0.00079857 0.00055291
0.01791427 0.00542614 0.03801229
1.95600041 1.08835353 8.91087026
-0.00003358 0.00028121 0.00042033
0.00868740 0.00881833 -0.00049690
-32.17315922 1.04074924 2.52006293
-0.00038173 -0.00058372 0.00018051
0.00319353 0.00024204 -0.01413414
-34.18943576 3.07437380 2.19117500
0.00070554 0.00087778 -0.00082848
0.01577822 -0.00295687 -0.00964245
12.79738005 12.78038156 -15.29494224
0.00092416 0.00024564 0.00003065
-0.05305044 -0.02522212 -0.02610010
15.51861246 12.90702961 -15.19040825
0.00027413 -0.00110114 0.00015375
-0.01645565 0.01729218 0.02718228
-3.96382290 8.82748776 4.77166005
-0.00013338 0.00002000 0.00015696
0.00485925 -0.00016632 -0.01745254
-3.40417185 6.81744988 2.28111464
-0.00051299 -0.00014030 -0.00119736
-0.00846578 0.01643297 0.04245572
5.95110035 16.12317198 -10.20470011
0.00065999 -0.00061800 0.00131615
-0.00149254 -0.00416341 -0.01021753
7.57069995 16.90271605 -7.99523768
-0.00005389 -0.00009922 0.00008840
-0.00066372 0.00275116 0.00152655
7.91971274 7.17427990 -22.50896339
-0.00026417 -0.00007955 -0.00075231
0.00489368 0.00182998 -0.01796938
8.00835592 7.64698081 -19.71465135
-0.00042283 0.00099719 0.00042520
-0.00077372 0.00561401 -0.00154440
21.75666711 17.91588198 -2.34118183
-0.00021896 -0.00021032 -0.00052226
0.01104529 -0.00976277 0.00354455
24.55216581 18.02902515 -3.32775285
0.00034023 -0.00053544 -0.00014565
0.00598378 0.01063934 -0.01143833
1.26440003 11.07560835 -21.55050718
0.00009359 0.00044309 0.00040471
-0.00715343 0.02433260 0.00531307
0.70035749 14.07207132 -22.25913930
-0.00056387 -0.00064790 -0.00031210
0.00777281 -0.01007530 0.00286085
9.79632577 -5.40050733 -1.58777920
-0.00067951 -0.00102355 -0.00012103
0.01238140 0.03206427 -0.00345541
8.98828616 -2.48355317 -2.36827274
0.00093655 -0.00001722 -0.00193406
0.02067850 -0.02395444 0.01047566
-18.95467323 -4.11580269 5.22298033
0.00002995 -0.00014425 0.00062253
0.01414560 0.00904707 -0.01113146
-17.08721979 -3.03626574 3.06171817
0.00035164 0.00026159 0.00040158
-0.01881597 -0.00552197 0.01100111
-15.42831600 0.14459684 16.75682730
-0.00014245 0.00044392 -0.00013618
0.00734764 0.00115741 0.01380256
-13.78342484 1.15876820 18.96514410
0.00008088 -0.00069132 -0.00013991
-0.01554720 -0.00385677 -0.00493005
3.16986512 3.57889889 -4.50133309
-0.00027717 0.00066293 0.00071161
-0.00318466 0.00545548 0.01030357
3.46051419 1.06116743 -3.21071104
-0.00113263 0.00014033 0.00036829
0.00099195 0.01532785 0.00812660
22.83678741 -9.47904376 -10.29744578
0.00039892 0.00021322 -0.00005415
0.01418552 0.00956390 0.00579639
24.87917658 -7.86014864 -8.63712058
-0.00030489 0.00012166 0.00003084
0.03080828 -0.00662197 0.01600194
2.28658760 -8.71490654 5.29792915
0.00068206 -0.00125213 0.00093970
0.00558219 -0.00387029 -0.00860863
2.65692675 -7.81956429 8.01996813
-0.00084595 -0.00139800 0.00035428
0.00870275 0.00096899 0.00721303
-3.95686661 -2.83250327 -17.54890433
0.00104852 0.00046479 -0.00068661
0.00351468 -0.02445941 -0.00073825
-4.91325160 -0.35802735 -16.94959364
-0.00054656 0.00000604 -0.00004385
-0.00320009 0.00807110 -0.00318682
2.24148677 4.73277798 -12.15330736
0.00004198 -0.00040135 0.00090227
-0.00961804 0.00187852 0.00950450
2.20760788 3.64928541 -9.29279026
-0.00041824 0.00079654 0.00042422
-0.01270169 0.00730673 -0.01201221
-0.94481251 16.27247561 13.26925186
-0.00046330 0.00092074 -0.00063034
-0.01640940 -0.00747017 0.00970221
-2.47481746 17.11098595 15.63517871
-0.00031700 0.00029749 0.00031961
0.00369106 0.00546795 0.04490798
-1.65997053 1.08468079 -5.64064640
0.00011635 0.00005343 0.00073567
-0.00936777 0.00126412 -0.00738380
-2.78998564 0.97958423 -8.37589914
-0.00008869 -0.00054930 -0.00052950
-0.01685316 -0.02865130 -0.02095046
-8.07334650 -2.91871482 -5.02129428
0.00003172 -0.00052506 0.00075168
-0.04020206 -0.03328080 -0.01453136
-7.41213093 -0.41630567 -4.05256751
0.00041673 -0.00032522 0.00033043
0.00378791 0.00889552 0.00203533
1.37559259 28.41533431 5.87772089
-0.00002404 -0.00052381 -0.00061709
0.02166519 0.00521060 -0.03813484
-1.26232147 28.46410965 6.71934936
-0.00049172 -0.00006678 0.00009939
-0.06747188 0.00233723 -0.03200359
8.34806759 -9.09470135 -2.23435133
-0.00018032 0.00005330 -0.00035183
0.00201102 -0.00754253 0.01148725
10.06193618 -10.04893222 0.12767583
0.00038063 0.00026822 -0.00057032
-0.00389146 0.00591946 -0.00062847
-5.76560740 0.14014954 9.21198304
-0.00097971 0.00057282 0.00088463
-0.01389686 0.00266644 -0.03442424
-8.42204136 -0.26577004 8.18732014
-0.00010164 0.00028508 0.00062520
-0.00980533 -0.00632443 -0.00250378
19.79666669 11.28558932 7.67873498
-0.00027793 -0.00054050 0.00147962
0.00871419 -0.00114415 0.01727750
19.50703793 13.04976655 5.49451890
-0.00041895 0.00059802 0.00066151
0.01397160 0.01942193 -0.01159536
-3.06389989 -2.59676299 -22.18678667
0.00152244 0.00056477 -0.00067158
0.01212938 0.03637798 0.04077139
-4.78589449 -3.28063534 -24.19875197
-0.00003079 -0.00098043 0.00009057
0.00597124 -0.01390266 -0.00700146
-12.48690981 9.20308461 9.43330984
-0.00006555 -0.00017324 0.00057252
0.00194928 0.00108104 0.00238925
-13.15681663 8.74812070 6.60359065
-0.00016349 -0.00046665 0.00030151
0.00390770 0.00694165 0.00616349
-12.56817775 7.41232692 -4.43117968
-0.00002892 -0.00020280 -0.00007107
-0.00951899 -0.00534656 -0.00937011
-11.46686211 9.20188763 -2.52630403
0.00012240 0.00051475 0.00010646
-0.00196089 0.00398155 0.00578005
-4.88863224 -17.39239299 20.10622908
0.00013789 -0.00010740 -0.00064477
0.03417229 0.02650522 0.00290865
-1.87875758 -17.14380268 19.67191192
-0.00082520 0.00083664 -0.00051080
-0.00940367 0.00384280 0.00193246
-3.64744896 5.48289646 -6.88851459
-0.00011407 -0.00019747 -0.00040526
0.00658831 -0.00223199 -0.00177247
-3.58460040 8.43415565 -6.91224089
-0.00016166 -0.00109007 -0.00046737
-0.00639577 0.00546217 0.00735014
-21.18245224 28.28400786 0.12984959
-0.00036228 -0.00063736 0.00044350
0.01139095 0.00362874 0.00929601
-18.83496053 29.37525872 1.72683074
0.00097797 0.00040531 -0.00005931
-0.02536675 -0.00113020 -0.01951064
8.88061584 2.50704669 6.16854829
-0.00123557 -0.00021717 -0.00007967
-0.03342437 -0.01046105 -0.02955702
9.18174603 4.85684508 7.90500456
0.00068868 -0.00122204 -0.00000754
-0.01227264 0.01808204 0.00541949
7.09835294 14.97198896 -14.86886580
0.00039120 0.00129193 0.00052314
-0.01472758 -0.00542449 0.04339365
6.33170909 12.65450483 -13.20848774
0.00111377 0.00173423 0.00022401
0.00287904 0.01139304 0.00261419
13.29789664 5.22276032 -3.46393680
0.00010800 -0.00019508 -0.00013171
-0.01967941 0.02921904 -0.01092782
13.48384723 3.64127877 -1.05387250
-0.00080528 -0.00178259 0.00095924
0.00295780 -0.00152272 -0.02584610
-5.40789884 9.58932319 0.07848991
0.00106063 -0.00082789 -0.00038572
0.01134802 -0.01114878 0.00104912
-8.00578950 10.64755902 -0.01367757
0.00024122 -0.00153990 -0.00122351
-0.01018853 0.00361866 0.00560672
4.61490499 12.75002174 2.18312584
-0.00024453 0.00037398 -0.00007439
0.00170774 0.01074882 0.00368877
7.37626631 11.99702881 2.52298299
-0.00048633 0.00146572 0.00046017
-0.00245918 0.00834890 0.01181967
20.70623916 -12.86760127 -10.45321113
0.00051720 -0.00015254 0.00110477
-0.01305024 -0.00966535 0.01473950
22.09762329 -13.62373093 -12.78632602
0.00040756 -0.00032066 -0.00027156
0.01548591 -0.02034633 -0.01861457
18.06903519 -6.01528175 2.15285708
-0.00062451 0.00033831 0.00064343
-0.01871464 -0.01432848 -0.00131546
16.13371789 -8.09018769 3.29077818
0.00029278 -0.00082130 -0.00027342
0.00528066 0.00616588 -0.01144608
14.12048430 8.24989536 10.88822758
0.00000627 -0.00001995 0.00063827
0.00875880 -0.00273874 -0.01041084
16.57055451 6.63558266 11.07244590
0.00019615 -0.00027730 -0.00064933
-0.00780523 0.00570974 -0.00330390
2.45859948 -13.07022903 14.89355394
-0.00164372 -0.00009004 0.00004137
-0.00407894 -0.02591666 0.00608226
3.61345201 -12.22639935 17.15151463
-0.00044116 -0.00043490 0.00012554
0.00789750 -0.01190394 0.01674482
-3.44172173 -2.69664613 -10.15898696
-0.00033341 0.00022992 0.00024076
0.00307181 0.01030746 0.00142079
-1.94483577 -0.47531259 -11.57447606
0.00074607 -0.00025716 -0.00060868
0.00426247 -0.00743908 -0.00364238
14.90024411 -7.60662251 -11.29600697
0.00091648 -0.00026781 0.00104973
0.00842573 -0.00289577 0.00314356
16.81312830 -7.00248748 -8.90974897
0.00051417 0.00004881 -0.00059507
0.01553191 0.01196245 -0.00675095
7.23655605 -2.78686375 5.71563195
0.00064453 -0.00011758 -0.00123168
0.01840198 -0.01477276 0.02134990
9.95592188 -3.29657456 4.89252367
0.00063447 -0.00116548 -0.00047340
0.02095085 -0.00293342 -0.01412031
-21.52559209 1.26264107 22.69312915
0.00097376 -0.00059724 0.00043873
0.00245671 0.00552166 0.01973587
-22.84852064 0.58530012 25.26651850
-0.00041702 0.00033222 -0.00045630
0.01209747 0.01056113 -0.01113673
25.57944621 -2.81964077 -7.77157828
0.00015573 0.00078210 -0.00052082
0.00380948 -0.00594004 -0.01362362
23.66708770 -0.55576165 -7.09877359
0.00004673 -0.00013189 -0.00007077
-0.00097556 -0.00472440 -0.01188579
11.34305129 -12.89299181 -8.61246560
0.00021882 -0.00044271 -0.00052079
-0.01593517 -0.01273562 0.01864673
12.53683377 -10.39611108 -9.41108512
0.00026678 0.00013794 -0.00006018
0.02292570 0.02923382 0.00729099
-5.37929686 -10.43936276 18.40556275
-0.00065395 0.00014101 0.00009985
-0.00575259 0.00330619 -0.02472297
-6.10774771 -9.85808519 15.45478121
0.00023084 -0.00046482 0.00037006
-0.03846982 0.01149566 -0.02215675
8.94638688 1.12634335 -31.75798440
0.00113037 0.00025227 -0.00030987
0.00060246 -0.00420586 0.00018571
6.44604178 2.54685309 -31.31840349
0.00047152 0.00041139 -0.00058718
0.01377311 0.00022934 -0.00013796
11.42486682 18.24490635 13.37317014
-0.00026428 -0.00098962 0.00006130
-0.00414709 -0.00324344 0.00197669
12.00096145 15.66480739 14.63883113
-0.00055147 -0.00067779 0.00016701
-0.01112768 0.02142703 -0.00189415
30.68860950 5.44798522 -8.03855086
0.00040627 -0.00002789 0.00057290
-0.00088941 0.00693475 0.00075173
28.95223711 7.72134300 -7.28799416
0.00097015 -0.00133680 -0.00065052
-0.01680623 0.00132507 0.00148875
-8.42026362 4.87576350 5.64271637
-0.00001604 -0.00013234 -0.00000658
0.01027767 0.00726044 0.00606663
-10.74989839 10.14490153 3.42321514
0.00004628 0.00001308 -0.00012561
-0.00091213 -0.00740640 0.00317419
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08352016
0.32915132
438.57763450
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.4001979536 (a.u.)
total exchange computation time: 2.7435040474 s
-154.3877159928
-931.41268215
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3994386522 (a.u.)
total exchange computation time: 2.7444019318 s
-154.3945722605
Anderson extrapolation: theta=1.3524830846 (1.3524830846)
-931.41291665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3982842072 (a.u.)
total exchange computation time: 2.7466511726 s
-154.4046598559
Anderson extrapolation: theta=0.0550429515 (0.0550429515)
-931.41305619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3981203324 (a.u.)
total exchange computation time: 2.7439451218 s
-154.4059100786
Anderson extrapolation: theta=1.9746495583 (1.9746495583)
-931.41306164
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3977652080 (a.u.)
total exchange computation time: 2.7439410686 s
-154.4085473944
Anderson extrapolation: theta=0.2320385359 (0.2320385359)
-931.41306744
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3976726941 (a.u.)
total exchange computation time: 2.7455699444 s
-154.4091717656
Anderson extrapolation: theta=1.7881295006 (1.7881295006)
-931.41306853
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3975289431 (a.u.)
total exchange computation time: 2.7433409691 s
-154.4100758927
Anderson extrapolation: theta=0.2819655151 (0.2819655151)
-931.41306968
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.600 s
total exchange = -52.3975115727 (a.u.)
total exchange computation time: 2.7444491386 s
-154.4101217270
Anderson extrapolation: theta=1.2755095641 (1.2755095641)
-931.41306992
-256.131779 121.477238 -35.738920
566.428165 1066.583367 -418.742621
310.296386 1188.060605 -454.481541
1309.322466
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3975078644 (a.u.)
total exchange computation time: 2.7433550358 s
679.29072906
-1084.65925428
89.69420786
-388.46046040
-174.88078440
78.79053888
551.60419304
0.00000000
-931.41307002
5.57515642 -31.22793643 -3.77043895
-0.00032841 -0.00008741 0.00004239
0.01124573 0.00700365 -0.03430436
-11.83184630 -1.01990297 -11.82575220
-0.00016651 -0.00001343 0.00009250
0.00791351 0.02463886 -0.02655686
-37.95734186 2.33168813 3.34727764
0.00032080 -0.00005653 -0.00014278
-0.00065876 -0.02711333 0.01962810
-9.69847053 -2.77429429 2.50728230
-0.00070599 0.00017007 -0.00021826
0.02166150 0.00239357 0.01715093
0.73523980 -0.23093155 8.97627467
0.00028834 -0.00016496 -0.00018834
-0.02320549 -0.01646124 -0.03596450
-32.39803367 2.75424807 1.80116258
-0.00013494 0.00003926 -0.00009078
-0.00903063 -0.01098751 0.02197025
13.96305369 13.67474656 -14.37672100
0.00011804 0.00038409 -0.00020326
0.07340638 0.01216105 0.00573004
-4.04657280 7.09679956 4.08030374
-0.00044772 -0.00002910 -0.00019465
0.00283952 -0.02179804 -0.02832130
5.78535719 16.70547551 -8.47550977
0.00017756 -0.00001047 0.00016593
0.00361758 0.00135139 0.01853827
6.82217678 7.20253980 -21.04478462
-0.00019884 0.00027939 0.00007125
-0.00254355 -0.00836895 0.01925027
23.44472302 17.10966619 -2.24472629
-0.00037006 0.00001658 0.00033423
-0.00715277 -0.00603693 0.00403831
1.37837967 12.89218266 -20.99857337
0.00011896 0.00013865 0.00032086
-0.00238551 -0.01969319 -0.01005233
10.40411998 -3.58319229 -1.69729298
0.00023371 0.00030271 0.00017296
-0.03664195 -0.02234768 -0.01620707
-17.89030603 -2.67163087 4.69341870
0.00023045 -0.00008829 0.00009071
-0.00481436 -0.00735583 -0.00415427
-15.28647890 0.13377996 18.61020706
-0.00003404 0.00002511 -0.00011799
0.02128806 -0.00567841 -0.00825654
2.76057944 2.75954590 -2.91183242
-0.00014691 0.00001625 0.00005319
-0.01230099 -0.00757087 -0.00882432
23.42112322 -7.83486998 -9.61841628
0.00008683 -0.00033090 -0.00020211
-0.03667683 0.00250145 -0.02762969
1.43535749 -7.96105631 6.69948624
0.00020040 0.00023623 0.00015437
-0.01686459 0.00843215 -0.00831532
-3.74747860 -1.15286538 -18.15482385
0.00028375 0.00034500 0.00032369
0.00759682 0.01729796 -0.00025703
3.21907374 4.27299496 -10.67072860
-0.00033730 0.00004121 0.00014111
0.02188351 -0.01069079 0.01088534
-2.65017977 16.84696292 13.92303497
0.00019116 -0.00016486 0.00016747
0.00290916 0.00529204 -0.05022026
-2.27208296 2.06963670 -7.05749792
-0.00006319 0.00019748 0.00009023
0.02447059 0.01909579 0.03711153
-6.68962618 -2.04006098 -4.43581966
-0.00022581 0.00008063 -0.00017847
0.03702830 0.02327210 0.01508149
0.34822877 28.23671483 7.28802037
0.00009894 0.00015794 0.00026265
0.03958345 -0.01085146 0.05335971
10.04089108 -9.12818872 -1.46305231
0.00013569 -0.00009047 0.00000456
0.00487498 0.00556513 -0.01819040
-6.84710337 0.40310145 7.57475310
-0.00003237 0.00026116 0.00003808
0.02142098 0.00385018 0.04489891
18.67444733 11.72454291 6.34001590
0.00030974 -0.00008110 0.00003780
-0.01770465 -0.02086718 0.00242054
-3.27994174 -3.93247899 -23.28005345
-0.00023380 0.00032553 0.00002497
-0.02166204 -0.01814538 -0.02996779
-13.63645452 8.30420473 8.32880948
0.00005535 0.00016180 0.00024734
-0.00676917 -0.00721075 -0.00499274
-12.09122862 7.47832999 -2.66458249
-0.00041337 -0.00032771 -0.00039375
0.01361981 0.01070190 0.00101469
-3.30499279 -16.27955449 20.45376358
-0.00036733 -0.00028450 0.00012448
-0.03076678 -0.02575150 -0.00190989
-3.29650337 6.94646098 -7.91828835
-0.00050178 0.00027723 0.00029976
0.00040325 -0.00232880 -0.01759936
-20.68755207 29.56507707 1.34841592
-0.00008574 0.00023909 -0.00012105
0.02437946 0.00368237 0.00909284
9.80241883 3.20328252 7.49401072
0.00019373 -0.00008263 0.00001246
0.03937992 -0.01191943 0.01624735
6.37541253 14.50471441 -13.11722117
0.00001870 0.00008759 0.00041020
0.01621970 0.00443093 -0.04686603
14.12899828 3.79593085 -2.84235953
-0.00001328 -0.00009336 0.00008854
0.01741114 -0.03664152 0.04496000
-6.29522215 11.06261735 -0.43886742
0.00002458 -0.00000708 0.00020456
0.01004155 0.00337932 -0.00602078
6.13476092 13.19833965 3.15701760
0.00036103 0.00013094 -0.00013431
-0.01148880 -0.00440643 -0.00568037
21.90430765 -12.25219880 -11.65039930
0.00003492 0.00027319 -0.00034128
-0.00715972 0.02297525 0.01335409
16.70196886 -6.34903340 3.35825982
0.00023519 0.00013476 -0.00001749
0.00465618 0.00410859 0.00796986
15.29542655 7.21098891 9.86073199
0.00018625 -0.00022635 -0.00033904
-0.00477669 -0.00132791 0.00962784
3.04444398 -13.84953179 16.47995059
-0.00008380 0.00026158 -0.00026076
-0.00110008 0.03058395 -0.02719422
-3.55728301 -0.93458911 -10.77933633
-0.00012191 -0.00054120 -0.00010468
-0.00514597 0.00433754 -0.00555837
15.36945513 -7.91265483 -9.52914571
-0.00003909 0.00013547 -0.00012741
-0.02850200 -0.01016238 0.01079055
8.93274781 -3.45316792 6.37343616
0.00040865 -0.00044084 0.00016695
-0.03444495 0.01370249 -0.00914324
-21.46264675 1.60664709 24.51843637
-0.00030725 -0.00008522 -0.00017955
-0.01174624 -0.01320575 -0.00609819
24.90724030 -1.72720232 -6.49388888
-0.00000817 -0.00005358 -0.00002259
-0.00007099 0.00848654 0.02165524
11.70199509 -11.83237581 -9.99839687
0.00025245 -0.00006243 -0.00001257
-0.00637813 -0.01510157 -0.03065649
-4.85430679 -10.26826164 16.59667792
0.00021111 -0.00015158 -0.00020291
0.04896941 -0.02446684 0.05765435
8.14821440 2.32324153 -30.59897759
0.00013399 0.00035501 -0.00054761
-0.01771114 -0.00473502 -0.00567377
10.87139046 17.15633904 14.75317374
0.00024296 -0.00034916 -0.00030874
0.01357261 -0.01446957 -0.00131290
30.65789479 7.27776261 -7.63901345
-0.00015678 0.00004983 0.00026710
0.03200029 -0.01332688 0.00276829
5.78846509 -30.09830988 -5.27093537
0.00019836 -0.00035889 0.00043022
-0.00712711 -0.01240662 0.01782661
3.95087504 -30.88107570 -3.07959696
0.00034363 -0.00035049 0.00035281
-0.01242771 0.01178211 0.00936437
-12.43885782 -1.94107794 -13.41862705
-0.00043049 0.00097775 -0.00040877
0.00121555 -0.00414012 0.01720265
-11.64104984 0.70106317 -12.63960513
0.00014666 0.00063936 0.00028951
-0.00579805 -0.01938360 0.01475262
-37.98463740 3.74198574 2.27019951
-0.00085455 0.00092815 0.00025722
-0.00396498 0.03086626 -0.02043717
-39.69488131 1.72274691 3.35334481
-0.00019581 0.00108460 -0.00027541
0.00243940 -0.00196134 -0.00011344
-9.76750770 -3.29454408 0.71303854
0.00017810 -0.00068074 -0.00004485
-0.00818965 0.00350978 0.01143796
-8.21510636 -3.57112822 3.32504494
0.00010255 0.00000877 0.00127304
-0.01471800 0.00298356 -0.01549094
0.07773617 -0.45669097 7.19882417
0.00014231 -0.00077561 0.00070098
0.01737618 0.00580987 0.03447076
1.95576284 1.09284190 8.91716000
0.00000005 0.00031579 0.00041715
0.00777784 0.00810771 -0.00106087
-32.17878737 1.03200093 2.52233741
-0.00037057 -0.00057551 0.00011960
0.00227002 0.00377415 -0.01568049
-34.17836909 3.08744982 2.17845230
0.00075867 0.00086703 -0.00086519
0.01022799 -0.00230438 -0.00832905
12.80961689 12.78329325 -15.29528225
0.00069901 0.00013720 -0.00008157
-0.05716482 -0.02786120 -0.02883238
15.52222008 12.89104245 -15.18726899
0.00020394 -0.00102686 0.00026694
-0.01790010 0.01906775 0.02822262
-3.96567476 8.82778270 4.77347966
-0.00011350 0.00001786 0.00008442
0.00487171 -0.00088455 -0.01805811
-3.41212613 6.81584887 2.26445528
-0.00054992 -0.00007207 -0.00101560
-0.00961296 0.01696889 0.04651674
5.96095440 16.11377446 -10.18527099
0.00065369 -0.00063901 0.00126146
-0.00158850 -0.00612303 -0.01655100
7.56987123 16.90131203 -7.99386486
-0.00005378 -0.00008707 0.00009657
0.00071782 0.00319676 0.00247041
7.91590008 7.17314270 -22.52079861
-0.00024851 -0.00007152 -0.00081693
0.00277555 0.00210177 -0.01366342
8.00198982 7.66211075 -19.70832070
-0.00042742 0.00101909 0.00041429
-0.00147559 0.00510274 -0.00379516
21.75372112 17.91242807 -2.34890714
-0.00017567 -0.00024891 -0.00050802
0.01014890 -0.00913075 0.00342894
24.55745256 18.02131956 -3.33028809
0.00035909 -0.00049603 -0.00018755
0.00325079 0.00865142 -0.00907375
1.26558475 11.08300033 -21.54427378
0.00006445 0.00053770 0.00042606
-0.00711095 0.02197886 0.00513912
0.69213761 14.06204412 -22.26373317
-0.00053086 -0.00068891 -0.00029783
0.00838683 -0.01000251 0.00412699
9.78651253 -5.41487796 -1.58970058
-0.00062287 -0.00087795 -0.00013561
0.01534288 0.03920793 -0.00368076
9.00296799 -2.48454545 -2.39696256
0.00102024 -0.00011454 -0.00188962
0.02029037 -0.02368818 0.01127794
-18.95379051 -4.11768923 5.23197711
0.00009036 -0.00010523 0.00057514
0.01542595 0.01005554 -0.01206145
-17.08252171 -3.03251103 3.06807896
0.00027578 0.00023725 0.00044223
-0.01832006 -0.00639453 0.00889766
-15.43022757 0.15129115 16.75520754
-0.00011282 0.00044851 -0.00007967
0.00715643 0.00108997 0.01385753
-13.78268809 1.14828027 18.96289432
0.00002123 -0.00070408 -0.00015876
-0.01365225 -0.00239091 -0.00429518
3.16560992 3.58901008 -4.49034325
-0.00028845 0.00068584 0.00074943
-0.00233523 0.00575815 0.00821039
3.44355521 1.06374208 -3.20493773
-0.00112525 0.00019703 0.00039865
0.00261666 0.01242848 0.00673881
22.84320583 -9.47555238 -10.29808045
0.00045476 0.00024527 -0.00003293
0.01314972 0.00612627 0.00459418
24.87554728 -7.85852664 -8.63616764
-0.00017697 0.00009428 0.00009768
0.03180951 -0.00678141 0.01671847
2.29698960 -8.73380711 5.31176085
0.00070178 -0.00126582 0.00090759
0.00407113 -0.00283136 -0.00710899
2.64450416 -7.84050454 8.02550334
-0.00080363 -0.00139258 0.00039292
0.01201384 0.00168067 0.01170332
-3.94103108 -2.82628097 -17.55922611
0.00106165 0.00035761 -0.00068621
0.00291192 -0.02800322 0.00093479
-4.92154811 -0.35768947 -16.95034911
-0.00055777 0.00003698 -0.00005738
-0.00228484 0.00707714 -0.00343457
2.24182181 4.72681530 -12.13948208
-0.00000445 -0.00038950 0.00092928
-0.01310976 0.00392028 0.00371852
2.20094508 3.66145734 -9.28679512
-0.00046953 0.00082613 0.00037551
-0.01240794 0.00717978 -0.01183077
-0.95226478 16.28605782 13.26009413
-0.00052462 0.00088820 -0.00059022
-0.01360942 -0.00845708 0.00993454
-2.47945928 17.11561587 15.64134899
-0.00030114 0.00031857 0.00049717
0.00407038 0.00484975 0.04200949
-1.65851229 1.08552104 -5.62983766
0.00007499 0.00006336 0.00069790
-0.01088136 0.00359301 -0.01110231
-2.79183241 0.97046678 -8.38448356
-0.00015279 -0.00065713 -0.00060310
-0.01452214 -0.02413345 -0.01508161
-8.07410256 -2.92761056 -5.01046433
-0.00013467 -0.00066090 0.00069235
-0.04124680 -0.03321553 -0.01451137
-7.40576393 -0.42091139 -4.04754868
0.00042801 -0.00028260 0.00033971
0.00173438 0.01196735 0.00250732
1.37589581 28.40763683 5.86729600
0.00005654 -0.00050395 -0.00076289
0.01778323 0.00451022 -0.03323445
-1.27176481 28.46317951 6.71985945
-0.00075273 -0.00005939 -0.00002656
-0.06029672 0.00128055 -0.02964733
8.34542437 -9.09413304 -2.23927678
-0.00016754 0.00002174 -0.00030223
0.00424857 -0.00790601 0.01279104
10.06752637 -10.04472747 0.11910175
0.00036420 0.00028716 -0.00056346
-0.00414897 0.00335064 0.00398826
-5.78072894 0.14882361 9.22419762
-0.00103407 0.00058381 0.00074156
-0.01271328 0.00271265 -0.03560953
-8.42386636 -0.26168769 8.19662137
-0.00013947 0.00026056 0.00061215
-0.00871586 -0.00567681 -0.00388491
19.79276475 11.27744671 7.70145872
-0.00024975 -0.00054049 0.00153897
0.00508241 0.00114856 0.01177332
19.50118188 13.05933195 5.50408626
-0.00035998 0.00067805 0.00061517
0.01489235 0.01975627 -0.01108987
-3.04069166 -2.58717664 -22.19561106
0.00157045 0.00071244 -0.00050865
0.01137580 0.03590785 0.03898637
-4.78617343 -3.29576773 -24.19760799
-0.00001154 -0.00103192 0.00006091
0.00345488 -0.01130579 -0.00751817
-12.48783333 9.20051912 9.44197092
-0.00005707 -0.00016802 0.00058104
0.00220257 0.00147290 0.00178017
-13.15914920 8.74133362 6.60830214
-0.00014579 -0.00043659 0.00032412
0.00475691 0.00777533 0.00490622
-12.56890318 7.40912103 -4.43253285
-0.00006925 -0.00022401 -0.00011473
-0.01022656 -0.00503532 -0.01200384
-11.46508624 9.20973083 -2.52452995
0.00010869 0.00051671 0.00012815
-0.00475022 -0.00301821 0.00483765
-4.88551678 -17.39319178 20.09664665
0.00027310 -0.00000111 -0.00063216
0.03201524 0.02552413 0.00326691
-1.89142371 -17.13113529 19.66430911
-0.00085548 0.00084829 -0.00050656
-0.00541781 0.00185676 0.00014291
-3.64895806 5.47986605 -6.89464785
-0.00008732 -0.00020770 -0.00041156
0.00650147 -0.00277526 -0.00131056
-3.58722122 8.41797203 -6.91902616
-0.00019195 -0.00104759 -0.00042297
-0.00843141 0.01533177 0.01438435
-21.18753743 28.27455869 0.13678696
-0.00031420 -0.00061962 0.00048413
0.01214564 0.00505553 0.01059103
-18.82106836 29.38130373 1.72534324
0.00086391 0.00040148 -0.00014155
-0.03046556 -0.00074457 -0.02074797
8.86105805 2.50346863 6.16644756
-0.00136253 -0.00025294 -0.00018686
-0.02872166 -0.00705193 -0.02291339
9.19170010 4.83906851 7.90505758
0.00063202 -0.00113076 0.00001956
-0.01546193 0.02660441 0.00784222
7.10376966 14.99120176 -14.85968901
0.00032989 0.00126839 0.00070276
-0.01528330 -0.00609918 0.04453344
6.34850387 12.68086742 -13.20504748
0.00112492 0.00175544 0.00023351
0.00257844 -0.00101051 0.00203400
13.29891354 5.22072950 -3.46624737
0.00002695 -0.00007621 -0.00017426
-0.01999265 0.02896902 -0.00990043
13.47185861 3.61449331 -1.04027592
-0.00078973 -0.00178480 0.00084211
0.00465630 0.00044021 -0.03148887
-5.39164167 9.57656319 0.07273633
0.00109799 -0.00085882 -0.00038658
0.00693924 -0.00398944 -0.00147109
-8.00248335 10.62457139 -0.03185837
0.00019716 -0.00152605 -0.00119956
-0.01138120 0.00316133 0.00611328
4.61128936 12.75596077 2.18212306
-0.00023260 0.00041894 -0.00005675
0.00413436 0.01126143 0.00494593
7.36889599 12.01927051 2.53024773
-0.00047935 0.00148312 0.00049926
0.00587505 0.00016685 0.00731546
20.71359719 -12.87018553 -10.43618798
0.00047319 -0.00018808 0.00115477
-0.00848918 -0.00773016 0.00973835
22.10421117 -13.62916428 -12.79096981
0.00046942 -0.00039819 -0.00034203
0.01479496 -0.01760607 -0.01588179
18.05909405 -6.01064623 2.16246825
-0.00068939 0.00028246 0.00062794
-0.01304372 -0.01300631 -0.00626783
16.13827143 -8.10231825 3.28632616
0.00031807 -0.00078315 -0.00031942
0.00709996 0.01251049 -0.01107376
14.12084671 8.24951225 10.89748255
0.00004746 -0.00003591 0.00058987
0.01140465 -0.00507550 -0.01327858
16.57325761 6.63159805 11.06260468
0.00016625 -0.00025495 -0.00066132
-0.00683069 0.00523413 -0.00256283
2.43381871 -13.07237378 14.89436092
-0.00165820 -0.00019503 0.00006839
-0.00301155 -0.02547685 0.00714262
3.60707663 -12.23328765 17.15391086
-0.00040665 -0.00047641 0.00019492
0.00899415 -0.00841228 0.01721643
-3.44662882 -2.69288152 -10.15533209
-0.00032014 0.00026456 0.00024842
0.00342416 0.00665286 0.00232868
-1.93351413 -0.47939799 -11.58371790
0.00075237 -0.00029117 -0.00061794
-0.00117923 -0.00920628 -0.00089139
14.91424949 -7.61072835 -11.28016470
0.00094522 -0.00027621 0.00104357
0.00564265 -0.00121903 -0.00615631
16.82131684 -7.00138874 -8.91888188
0.00057424 0.00009481 -0.00062270
0.01387218 0.01055193 -0.00677219
7.24678789 -2.78908018 5.69781095
0.00072144 -0.00017922 -0.00114106
0.01924751 -0.01539871 0.02301030
9.96608098 -3.31414668 4.88499005
0.00071536 -0.00117835 -0.00052267
0.01864376 -0.00336471 -0.01000140
-21.51091039 1.25385174 22.70031491
0.00098283 -0.00057600 0.00051137
0.00198149 0.00487133 0.01582226
-22.85440516 0.59060698 25.25933279
-0.00037014 0.00037325 -0.00050003
0.01084814 0.00952360 -0.01026931
25.58189897 -2.80809137 -7.77980809
0.00017201 0.00075691 -0.00057650
0.00415638 -0.00638990 -0.01362922
23.66775874 -0.55788475 -7.10019930
0.00004178 -0.00014976 -0.00011908
-0.00144623 -0.00402182 -0.01176325
11.34584530 -12.90002265 -8.61970610
0.00015361 -0.00049498 -0.00044236
-0.01598629 -0.01285437 0.01974571
12.54153800 -10.39314620 -9.41176436
0.00035828 0.00025333 -0.00003112
0.02186451 0.02724920 0.00693112
-5.38928238 -10.43714628 18.40630290
-0.00067408 0.00015440 -0.00000580
-0.00410191 0.00324533 -0.02699140
-6.10546391 -9.86470518 15.45965315
0.00006833 -0.00041590 0.00027356
-0.04108026 0.01244786 -0.02507801
8.96336085 1.12999846 -31.76262673
0.00112904 0.00023796 -0.00030640
-0.00125379 -0.00279551 0.00151279
6.45353668 2.55303094 -31.32721539
0.00052449 0.00041202 -0.00058993
0.01215335 0.00008095 -0.00120781
11.42077555 18.22996267 13.37415027
-0.00027684 -0.00099635 0.00006030
-0.00200106 -0.00005196 -0.00246715
11.99234839 15.65529710 14.64127822
-0.00059447 -0.00059191 0.00015845
-0.00992119 0.02061404 -0.00229617
30.69467628 5.44777930 -8.02993439
0.00040369 0.00000016 0.00057530
-0.00037353 0.00679709 0.00042729
28.96627433 7.70133154 -7.29770642
0.00087513 -0.00132297 -0.00063920
-0.02970728 0.00544663 0.00405576
-8.42047661 4.87379786 5.64263398
-0.00001236 -0.00012972 -0.00000443
0.01029771 0.00740451 0.00593096
-10.74920573 10.14508479 3.42133651
0.00004607 0.00001134 -0.00012487
-0.00096691 -0.00754813 0.00317101
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08356375
0.32950627
439.05058954
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.4021855973 (a.u.)
total exchange computation time: 2.8531301022 s
-154.3892016324
-931.41302888
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.4013732575 (a.u.)
total exchange computation time: 2.8553380966 s
-154.3963890607
Anderson extrapolation: theta=1.3824394077 (1.3824394077)
-931.41327027
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4001228407 (a.u.)
total exchange computation time: 2.8549969196 s
-154.4071111812
Anderson extrapolation: theta=0.0638195380 (0.0638195380)
-931.41342042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.509 s
total exchange = -52.3999471870 (a.u.)
total exchange computation time: 2.8554410934 s
-154.4084374954
Anderson extrapolation: theta=2.1481553793 (2.0000000000)
-931.41342800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3995742098 (a.u.)
total exchange computation time: 2.8545460701 s
-154.4111763808
Anderson extrapolation: theta=0.3155071304 (0.3155071304)
-931.41343745
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3994608154 (a.u.)
total exchange computation time: 2.8547708988 s
-154.4119405009
Anderson extrapolation: theta=1.3244127755 (1.3244127755)
-931.41343975
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.510 s
total exchange = -52.3993415235 (a.u.)
total exchange computation time: 2.8556270599 s
-154.4126691323
Anderson extrapolation: theta=0.3951210907 (0.3951210907)
-931.41344185
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3993263098 (a.u.)
total exchange computation time: 2.8534109592 s
-154.4126827566
Anderson extrapolation: theta=0.9779247091 (0.9779247091)
-931.41344249
-256.107946 121.431181 -35.737823
566.442134 1066.557368 -418.720729
310.334188 1187.988549 -454.458552
1309.258063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3993360226 (a.u.)
total exchange computation time: 2.8545079231 s
679.31557638
-1084.70283483
89.68700264
-388.43004833
-174.88380270
78.81406648
551.60419304
0.00000000
-931.41344286
5.57027370 -31.22922050 -3.76993543
-0.00032150 -0.00008450 0.00002497
0.01560503 0.00429408 -0.03341847
-11.83431348 -1.02000932 -11.82446714
-0.00016233 0.00000000 0.00007856
0.00836218 0.02757587 -0.02765146
-37.95253239 2.33073562 3.34521161
0.00031994 -0.00006926 -0.00013374
-0.00268851 -0.02241549 0.01555222
-9.70897683 -2.77173406 2.50407459
-0.00069315 0.00017040 -0.00020835
0.02828948 -0.00109339 0.02139541
0.73947537 -0.23346941 8.97331090
0.00027686 -0.00017319 -0.00020548
-0.02141741 -0.01555991 -0.03070452
-32.40009254 2.75479458 1.79988566
-0.00013775 0.00003254 -0.00007957
-0.00191964 -0.01514436 0.02162613
13.96510745 13.68055488 -14.37974778
0.00015642 0.00039026 -0.00020020
0.07582812 0.01181888 0.00615336
-4.05327766 7.09627895 4.07727473
-0.00044598 -0.00004024 -0.00020983
0.00393478 -0.02152649 -0.03069254
5.78803461 16.70532366 -8.47294932
0.00017905 -0.00000937 0.00017671
0.00216754 0.00294245 0.02338470
6.81918442 7.20669836 -21.04364157
-0.00019941 0.00027511 0.00008054
0.00030791 -0.00825622 0.01686327
23.43914445 17.10989155 -2.23969722
-0.00037265 0.00001382 0.00033567
-0.00288049 -0.00467060 0.00155399
1.38015486 12.89418652 -20.99379926
0.00011761 0.00012921 0.00031546
-0.00286912 -0.01701934 -0.01093792
10.40748430 -3.57873778 -1.69476111
0.00021438 0.00028949 0.00016446
-0.03854580 -0.02907273 -0.01684861
-17.88686793 -2.67298357 4.69476336
0.00022754 -0.00009203 0.00008934
-0.00649666 -0.00719846 -0.00118341
-15.28690740 0.13413477 18.60840538
-0.00002360 0.00002182 -0.00012238
0.01929877 -0.00711393 -0.00883108
2.75832838 2.75976044 -2.91106865
-0.00015386 0.00001308 0.00004955
-0.01472171 -0.00474019 -0.00531918
23.42228420 -7.83982386 -9.62155448
0.00006841 -0.00032854 -0.00021587
-0.03495970 0.00670020 -0.02589378
1.43829837 -7.95748028 6.70176971
0.00019147 0.00024020 0.00014861
-0.01783597 0.00697943 -0.01409518
-3.74319312 -1.14762360 -18.14996954
0.00028755 0.00035484 0.00032334
0.00721705 0.02096124 -0.00107399
3.21409868 4.27357180 -10.66856995
-0.00032519 0.00003521 0.00014815
0.02518928 -0.01260621 0.01648576
-2.64730114 16.84451041 13.92535336
0.00019175 -0.00016167 0.00014292
-0.00060595 0.00712802 -0.04524713
-2.27293642 2.07267253 -7.05600128
-0.00005094 0.00020549 0.00010842
0.02316075 0.01204257 0.03360244
-6.69287050 -2.03876181 -4.43843849
-0.00020652 0.00009145 -0.00017113
0.03796926 0.01882428 0.01345426
0.34986556 28.23904208 7.29216590
0.00011793 0.00015292 0.00028772
0.03426748 -0.00867425 0.04414037
10.04294525 -9.12952436 -1.46305401
0.00013763 -0.00008688 -0.00000631
0.00265206 0.00840451 -0.02408601
-6.84750626 0.40703376 7.57549746
-0.00002210 0.00026291 0.00006164
0.01849879 0.00294712 0.04672855
18.67902514 11.72324586 6.34059224
0.00030134 -0.00009238 0.00004024
-0.01494987 -0.02299762 0.00707673
-3.28353226 -3.92766598 -23.27979446
-0.00024391 0.00031617 0.00001061
-0.01767013 -0.01828372 -0.02588500
-13.63565038 8.30660393 8.33250025
0.00005162 0.00015784 0.00024525
-0.00774602 -0.00818330 -0.00309717
-12.09737657 7.47345557 -2.67048475
-0.00040561 -0.00032059 -0.00039228
0.01653808 0.01700195 0.00468414
-3.31062144 -16.28392136 20.45562347
-0.00038354 -0.00029687 0.00012404
-0.03227560 -0.02233156 0.00018851
-3.30402854 6.95061041 -7.91385989
-0.00050098 0.00027351 0.00028875
0.00269594 -0.01214160 -0.02518554
-20.68874415 29.56867755 1.34663520
-0.00007227 0.00024053 -0.00011641
0.02800193 0.00194129 0.00897664
9.80547675 3.20199704 7.49426028
0.00021335 -0.00009182 0.00001831
0.03691648 -0.02378992 0.00650046
6.37575559 14.50604534 -13.11124898
0.00002717 0.00009342 0.00038623
0.01672487 0.01824719 -0.04635831
14.12886618 3.79438907 -2.84085802
-0.00000483 -0.00011232 0.00011249
0.01547323 -0.03707500 0.04816465
-6.29481469 11.06252424 -0.43582230
0.00003101 -0.00000700 0.00020195
0.01495171 -0.00306643 -0.00410798
6.14013198 13.20028683 3.15498107
0.00035217 0.00013087 -0.00013630
-0.02292921 0.00412552 -0.00208478
21.90480386 -12.24801233 -11.65546698
0.00003020 0.00028355 -0.00033397
-0.01118919 0.01730125 0.01507278
16.70551473 -6.34699611 3.35802817
0.00023558 0.00013502 -0.00001212
-0.00314064 -0.00312107 0.01293850
15.29820181 7.20758860 9.85568350
0.00018287 -0.00022633 -0.00033368
-0.00834001 0.00137790 0.01120870
3.04318269 -13.84549004 16.47593435
-0.00008491 0.00027616 -0.00027507
-0.00320380 0.02608148 -0.02848073
-3.55913147 -0.94269034 -10.78092803
-0.00012323 -0.00053742 -0.00010842
0.00001997 0.01033293 -0.00896559
15.36875886 -7.91066205 -9.53101516
-0.00005245 0.00013025 -0.00011920
-0.02344868 -0.01010264 0.02112615
8.93874467 -3.45972767 6.37590519
0.00039144 -0.00043355 0.00016081
-0.03247191 0.01463542 -0.01473947
-21.46730083 1.60531785 24.51571957
-0.00031275 -0.00009144 -0.00018180
-0.00963384 -0.01097662 -0.00265658
24.90711741 -1.72797331 -6.49414422
-0.00000817 -0.00004937 -0.00001161
0.00010367 0.00787724 0.02105700
11.70575729 -11.83337046 -9.99870374
0.00024959 -0.00006955 -0.00002818
-0.00474212 -0.01261618 -0.03001304
-4.85095118 -10.27062973 16.59385660
0.00023613 -0.00016419 -0.00017245
0.04832418 -0.02454829 0.06081831
8.15015587 2.32854836 -30.60721361
0.00012582 0.00035220 -0.00055051
-0.01405065 -0.00618151 -0.00560425
10.87508728 17.15104588 14.74853760
0.00024899 -0.00035710 -0.00030809
0.00985797 -0.01640571 0.00383740
30.65566658 7.27845869 -7.63499632
-0.00013716 0.00004209 0.00026789
0.04426257 -0.01677803 0.00032395
5.79122211 -30.10407334 -5.26393584
0.00016852 -0.00040607 0.00049883
-0.00748229 -0.01068980 0.01575739
3.95564865 -30.88597200 -3.07401789
0.00028530 -0.00030024 0.00039373
-0.01612592 0.01281419 0.01066833
-12.44527788 -1.92653850 -13.42423145
-0.00042527 0.00095925 -0.00033826
0.00134090 -0.00491559 0.01731209
-11.63902757 0.71005954 -12.63481037
0.00012239 0.00055568 0.00035131
-0.00608244 -0.02157714 0.01549583
-37.99757717 3.75685384 2.27343152
-0.00086752 0.00104633 0.00018087
-0.00238511 0.02698113 -0.01693658
-39.69774366 1.73895573 3.34921021
-0.00018448 0.00107457 -0.00027418
0.00310544 -0.00294374 0.00071690
-9.76508717 -3.30464765 0.71271631
0.00014470 -0.00066573 0.00000224
-0.00816164 0.00383810 0.01161188
-8.21401909 -3.57090518 3.34366588
0.00002966 0.00002754 0.00120167
-0.02096305 0.00620403 -0.01944819
0.08040326 -0.46814712 7.21039517
0.00021131 -0.00075148 0.00083236
0.01640116 0.00600095 0.02983883
1.95600196 1.09782715 8.92338472
0.00002924 0.00034663 0.00041175
0.00651105 0.00698755 -0.00158102
-32.18427641 1.02348392 2.52365088
-0.00036314 -0.00055352 0.00005275
0.00136952 0.00698919 -0.01704289
-34.16667559 3.10038461 2.16521915
0.00078798 0.00085927 -0.00089633
0.00411954 -0.00149134 -0.00691319
12.81835031 12.78449743 -15.29738928
0.00046234 0.00002114 -0.00020167
-0.05868531 -0.02894810 -0.02995997
15.52473068 12.87622387 -15.18240008
0.00013287 -0.00094704 0.00038281
-0.01689003 0.02000194 0.02849511
-3.96722805 8.82802342 4.77419255
-0.00009371 0.00001293 0.00000967
0.00481676 -0.00152652 -0.01853123
-3.42066956 6.81528782 2.25064676
-0.00059073 -0.00000217 -0.00081951
-0.01036371 0.01724659 0.04946918
5.97071109 16.10400168 -10.16685621
0.00064706 -0.00066791 0.00118183
-0.00165613 -0.00802509 -0.02242931
7.56908651 16.90010392 -7.99234064
-0.00004805 -0.00007312 0.00010857
0.00208730 0.00363273 0.00340641
7.91225752 7.17213430 -22.53347121
-0.00024166 -0.00006232 -0.00086355
0.00057506 0.00240400 -0.00915792
7.99553330 7.67755341 -19.70222264
-0.00043472 0.00103887 0.00039438
-0.00209582 0.00458003 -0.00595044
21.75139712 17.90841457 -2.35642230
-0.00013667 -0.00028462 -0.00049431
0.00894073 -0.00834877 0.00328138
24.56293854 18.01414418 -3.33337942
0.00036625 -0.00046501 -0.00021931
0.00025238 0.00653229 -0.00647251
1.26633366 11.09173930 -21.53772543
0.00003547 0.00062146 0.00044637
-0.00707709 0.01902295 0.00480127
0.68443173 14.05140392 -22.26807411
-0.00049555 -0.00072921 -0.00027869
0.00889851 -0.00972206 0.00524155
9.77763959 -5.42684568 -1.59184754
-0.00055506 -0.00070604 -0.00015087
0.01785350 0.04493899 -0.00378897
9.01889334 -2.48698948 -2.42496121
0.00110159 -0.00021011 -0.00184234
0.01953285 -0.02309138 0.01186539
-18.95196240 -4.11895950 5.24023468
0.00015529 -0.00006286 0.00052437
0.01635513 0.01068102 -0.01279127
-17.07894641 -3.02914822 3.07498506
0.00020250 0.00020932 0.00047350
-0.01755248 -0.00727960 0.00640808
-15.43170056 0.15805226 16.75443706
-0.00008413 0.00045281 -0.00002375
0.00688917 0.00101176 0.01351901
-13.78278804 1.13764581 18.96038130
-0.00002988 -0.00071042 -0.00017475
-0.01136640 -0.00071335 -0.00353174
3.16121160 3.59947416 -4.47885023
-0.00029623 0.00071003 0.00077863
-0.00147240 0.00608141 0.00608440
3.42675659 1.06707843 -3.19875143
-0.00111101 0.00024110 0.00042319
0.00435448 0.00914035 0.00527205
22.85043014 -9.47168555 -10.29843355
0.00050596 0.00026231 -0.00001703
0.01191443 0.00221082 0.00318773
24.87386747 -7.85732026 -8.63419008
-0.00004783 0.00006639 0.00016554
0.03140728 -0.00686872 0.01649705
2.30764112 -8.75288120 5.32515686
0.00071486 -0.00127473 0.00088221
0.00233134 -0.00152695 -0.00531389
2.63281786 -7.86134180 8.03175580
-0.00074889 -0.00138459 0.00044898
0.01477944 0.00223396 0.01573702
-3.92501708 -2.82177489 -17.56949059
0.00107249 0.00023797 -0.00067968
0.00239265 -0.03056169 0.00225959
-4.92998465 -0.35691786 -16.95131507
-0.00056504 0.00006359 -0.00007203
-0.00127433 0.00594678 -0.00373697
2.24135341 4.72109287 -12.12542890
-0.00006518 -0.00036926 0.00093235
-0.01662004 0.00598717 -0.00221829
2.19352185 3.67406929 -9.28152505
-0.00051961 0.00085509 0.00032777
-0.01210416 0.00699829 -0.01153656
-0.96055111 16.29912173 13.25154526
-0.00057366 0.00085152 -0.00054960
-0.01039533 -0.00949959 0.00994750
-2.48385164 17.12054301 15.65009388
-0.00028408 0.00033647 0.00065891
0.00428209 0.00391168 0.03716222
-1.65772093 1.08658150 -5.61970935
0.00002793 0.00008209 0.00064606
-0.01215419 0.00557559 -0.01427430
-2.79456919 0.95987029 -8.39399227
-0.00020710 -0.00074560 -0.00065191
-0.01206395 -0.01917224 -0.00881119
-8.07738648 -2.93854196 -5.00052372
-0.00030112 -0.00079354 0.00063494
-0.04023315 -0.03171000 -0.01359441
-7.39929063 -0.42478367 -4.04237618
0.00043100 -0.00022791 0.00035087
-0.00027076 0.01480307 0.00295443
1.37728891 28.40021577 5.85483429
0.00011971 -0.00048702 -0.00088638
0.01313720 0.00377933 -0.02721772
-1.28490350 28.46232785 6.71855258
-0.00097921 -0.00005692 -0.00014120
-0.05056302 -0.00006876 -0.02647013
8.34304152 -9.09404925 -2.24341832
-0.00014612 -0.00001121 -0.00024763
0.00623388 -0.00822065 0.01393590
10.07286229 -10.04031737 0.11077210
0.00034685 0.00029557 -0.00053763
-0.00434700 0.00076335 0.00865270
-5.79662964 0.15766393 9.23422982
-0.00108304 0.00059491 0.00059474
-0.01125356 0.00271890 -0.03626026
-8.42622553 -0.25795324 8.20568450
-0.00017238 0.00023888 0.00059327
-0.00739320 -0.00493425 -0.00535373
19.78917429 11.26937449 7.72490400
-0.00023605 -0.00053110 0.00157554
0.00162274 0.00345149 0.00612768
19.49623853 13.07010813 5.51297396
-0.00029844 0.00075773 0.00057201
0.01523369 0.01924589 -0.01003625
-3.01678625 -2.57538965 -22.20204613
0.00161421 0.00085398 -0.00035648
0.01004484 0.03337473 0.03550304
-4.78624063 -3.31159302 -24.19692477
-0.00000296 -0.00107245 0.00002899
0.00074606 -0.00853438 -0.00810689
-12.48862186 9.19804391 9.45074111
-0.00004771 -0.00016138 0.00058701
0.00237833 0.00177674 0.00114171
-13.16119022 8.73502307 6.61331431
-0.00012463 -0.00040319 0.00034140
0.00559781 0.00857284 0.00355348
-12.57025535 7.40560654 -4.43462170
-0.00011225 -0.00024384 -0.00016844
-0.01082058 -0.00466959 -0.01428685
-11.46360151 9.21738906 -2.52245939
0.00008393 0.00049119 0.00014592
-0.00736959 -0.00947686 0.00385811
-4.88043922 -17.39242629 20.08726443
0.00039819 0.00010020 -0.00061836
0.02921841 0.02406695 0.00348662
-1.90442188 -17.11835409 19.65671506
-0.00086915 0.00085183 -0.00050991
-0.00127522 -0.00012427 -0.00178175
-3.65006870 5.47666555 -6.90086142
-0.00006090 -0.00022004 -0.00041608
0.00643164 -0.00326785 -0.00090010
-3.59035877 8.40272804 -6.92492988
-0.00023065 -0.00096435 -0.00034946
-0.01051267 0.02541113 0.02159511
-21.19187827 28.26541936 0.14437342
-0.00026338 -0.00059644 0.00052955
0.01273361 0.00629155 0.01164201
-18.80904330 29.38730311 1.72258417
0.00073118 0.00039910 -0.00022821
-0.03450776 -0.00041880 -0.02166904
8.83974002 2.49945839 6.16294255
-0.00146892 -0.00027403 -0.00026565
-0.02335686 -0.00326983 -0.01565482
9.20070657 4.82292243 7.90559122
0.00056280 -0.00100570 0.00005634
-0.01842193 0.03461302 0.01016460
7.10824973 15.01004076 -14.84778295
0.00026705 0.00124261 0.00088517
-0.01547685 -0.00652013 0.04475682
6.36545668 12.70716809 -13.20148257
0.00113524 0.00172388 0.00024045
0.00247481 -0.01443971 0.00136407
13.29870517 5.22047408 -3.46916470
-0.00005377 0.00003882 -0.00021151
-0.01951939 0.02733739 -0.00833260
13.46015536 3.58773483 -1.02860918
-0.00076774 -0.00177893 0.00070387
0.00610887 0.00243113 -0.03618263
-5.37495921 9.56355870 0.06689259
0.00111735 -0.00086087 -0.00039740
0.00253763 0.00298166 -0.00382568
-7.99987470 10.60177750 -0.04966451
0.00014963 -0.00151382 -0.00117390
-0.01188263 0.00282613 0.00644987
4.60792710 12.76258997 2.18142340
-0.00021113 0.00046571 -0.00003435
0.00637191 0.01163400 0.00601698
7.36188573 12.04152243 2.53796081
-0.00043676 0.00146570 0.00051914
0.01497240 -0.00869248 0.00241593
20.72043495 -12.87324353 -10.41856801
0.00044791 -0.00021553 0.00118378
-0.00388868 -0.00570796 0.00446396
22.11170576 -13.63567664 -12.79658694
0.00052819 -0.00046331 -0.00040038
0.01397655 -0.01426948 -0.01268228
18.04835351 -6.00680781 2.17169530
-0.00073012 0.00023254 0.00059131
-0.00689171 -0.01143103 -0.01166128
16.14326010 -8.11368209 3.28119548
0.00035024 -0.00072039 -0.00036369
0.00864561 0.01821142 -0.01059725
14.12190807 8.24881808 10.90592373
0.00009863 -0.00006071 0.00053039
0.01364510 -0.00706646 -0.01584054
16.57554209 6.62793421 11.05260640
0.00014072 -0.00023472 -0.00066995
-0.00566691 0.00466997 -0.00166560
2.40885338 -13.07607991 14.89560563
-0.00166849 -0.00029765 0.00009921
-0.00202196 -0.02475502 0.00794417
3.60125246 -12.24069151 17.15736223
-0.00036778 -0.00050338 0.00026612
0.01003381 -0.00479124 0.01763885
-3.45132606 -2.68870919 -10.15153450
-0.00030545 0.00028381 0.00026005
0.00376855 0.00276834 0.00336544
-1.92226475 -0.48404760 -11.59301437
0.00073729 -0.00033208 -0.00061637
-0.00620225 -0.01082056 0.00166342
14.92860069 -7.61490890 -11.26469973
0.00096234 -0.00027774 0.00099797
0.00273972 0.00047082 -0.01616626
16.83035555 -6.99964331 -8.92842984
0.00062675 0.00013453 -0.00065054
0.01183189 0.00889317 -0.00685932
7.25819933 -2.79224034 5.68140017
0.00080089 -0.00024292 -0.00104427
0.01964388 -0.01578519 0.02437098
9.97738268 -3.33192501 4.87684348
0.00078612 -0.00119283 -0.00055439
0.01599329 -0.00372468 -0.00552253
-21.49610725 1.24536095 22.70847037
0.00099012 -0.00055771 0.00056696
0.00158801 0.00408493 0.01138611
-22.85962484 0.59649750 25.25151771
-0.00032913 0.00040950 -0.00053976
0.00922646 0.00822318 -0.00917898
25.58460645 -2.79693357 -7.78887319
0.00018928 0.00073060 -0.00063120
0.00429825 -0.00648973 -0.01314919
23.66834114 -0.56025433 -7.10234593
0.00003497 -0.00016482 -0.00016674
-0.00188797 -0.00335107 -0.01156585
11.34765957 -12.90784128 -8.62573645
0.00008864 -0.00054644 -0.00036106
-0.01581740 -0.01233461 0.02005228
12.54758223 -10.38851132 -9.41201881
0.00044412 0.00035822 -0.00000442
0.02015336 0.02409707 0.00614133
-5.39951928 -10.43473090 18.40538884
-0.00068771 0.00016735 -0.00011916
-0.00257035 0.00309622 -0.02850009
-6.10569776 -9.87056229 15.46298815
-0.00010116 -0.00036427 0.00016827
-0.04188678 0.01282683 -0.02646497
8.98025799 1.13348225 -31.76717636
0.00112005 0.00022950 -0.00029742
-0.00314641 -0.00134617 0.00288034
6.46177641 2.55921374 -31.33610131
0.00057013 0.00041207 -0.00059727
0.01018642 -0.00005820 -0.00238783
11.41656165 18.21501581 13.37497921
-0.00028058 -0.00098980 0.00004079
0.00017036 0.00325841 -0.00708217
11.98312730 15.64705016 14.64358459
-0.00063184 -0.00051048 0.00014823
-0.00837182 0.01924293 -0.00270603
30.70072017 5.44798995 -8.02129173
0.00040328 0.00002721 0.00057630
0.00017532 0.00644366 0.00005829
28.97849091 7.68165387 -7.30717011
0.00072782 -0.00129288 -0.00061777
-0.04240077 0.00928201 0.00643358
-8.42063431 4.87187196 5.64258344
-0.00000867 -0.00012704 -0.00000233
0.01028952 0.00753456 0.00580247
-10.74851642 10.14524178 3.41946892
0.00004583 0.00000958 -0.00012413
-0.00103632 -0.00766382 0.00319854
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08440756
0.32903529
438.42303291
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4019134612 (a.u.)
total exchange computation time: 2.8532519341 s
-154.3859370126
-931.41173196
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4011587775 (a.u.)
total exchange computation time: 2.8560869694 s
-154.3929384850
Anderson extrapolation: theta=1.3890091452 (1.3890091452)
-931.41197288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4000345548 (a.u.)
total exchange computation time: 2.8549830914 s
-154.4032126198
Anderson extrapolation: theta=0.0665505374 (0.0665505374)
-931.41212362
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3999033822 (a.u.)
total exchange computation time: 2.8555669785 s
-154.4043597985
Anderson extrapolation: theta=2.2018391628 (2.0000000000)
-931.41213151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3996317000 (a.u.)
total exchange computation time: 2.8548340797 s
-154.4066950892
Anderson extrapolation: theta=0.3365081664 (0.3365081664)
-931.41214130
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3995491261 (a.u.)
total exchange computation time: 2.8569920063 s
-154.4073675413
Anderson extrapolation: theta=1.1730594007 (1.1730594007)
-931.41214363
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.3994772206 (a.u.)
total exchange computation time: 2.8556430340 s
-154.4079098953
Anderson extrapolation: theta=0.4264783577 (0.4264783577)
-931.41214547
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3994712058 (a.u.)
total exchange computation time: 2.8552789688 s
-154.4079066140
Anderson extrapolation: theta=0.8892903853 (0.8892903853)
-931.41214603
-211.706474 121.392483 -35.743771
566.453516 1066.534216 -418.699197
354.747042 1187.926699 -454.442968
1320.429368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1420659816
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3994837206 (a.u.)
total exchange computation time: 2.8562109470 s
679.32619293
-1084.71328480
89.68118967
-388.42245415
-174.88430621
78.81768845
551.60419304
0.00000000
-931.41214629
5.56551136 -31.23047145 -3.76968973
-0.00031258 -0.00008306 0.00000824
0.01907617 0.00132099 -0.03167352
-11.83671615 -1.01990294 -11.82339541
-0.00015792 0.00001478 0.00006419
0.00878635 0.02988160 -0.02822095
-37.94774367 2.32961019 3.34326557
0.00031801 -0.00007932 -0.00012693
-0.00480873 -0.01670562 0.01089359
-9.71926489 -2.76918227 2.50103195
-0.00067716 0.00016908 -0.00019635
0.03389168 -0.00402345 0.02525630
0.74354572 -0.23612730 8.97011026
0.00026651 -0.00018081 -0.00021964
-0.01885339 -0.01407046 -0.02433801
-32.40216622 2.75522426 1.79877557
-0.00013682 0.00002374 -0.00006860
0.00555459 -0.01905586 0.02101385
13.96774620 13.68645439 -14.38272709
0.00019526 0.00039583 -0.00019734
0.07520691 0.00985523 0.00497116
-4.05995216 7.09559227 4.07400892
-0.00044375 -0.00005119 -0.00022596
0.00471595 -0.02103432 -0.03203242
5.79072875 16.70519451 -8.47020847
0.00017980 -0.00000749 0.00018979
0.00072776 0.00436330 0.02749093
6.81619443 7.21079323 -21.04236843
-0.00019855 0.00027088 0.00008854
0.00305664 -0.00819198 0.01423175
23.43354366 17.11008088 -2.23465616
-0.00037291 0.00001175 0.00033581
0.00183671 -0.00339762 -0.00101177
1.38190792 12.89605908 -20.98910953
0.00011603 0.00012126 0.00030970
-0.00325020 -0.01392811 -0.01148287
10.41055125 -3.57450756 -1.69235921
0.00019427 0.00027307 0.00015567
-0.03962719 -0.03477758 -0.01732950
-17.88347994 -2.67439181 4.69609888
0.00022378 -0.00009559 0.00008954
-0.00809925 -0.00663804 0.00195013
-15.28718702 0.13443470 18.60653557
-0.00001427 0.00001776 -0.00012700
0.01699559 -0.00870498 -0.00912736
2.75596375 2.75993841 -2.91034591
-0.00016207 0.00001145 0.00004776
-0.01723390 -0.00162206 -0.00163558
23.42317548 -7.84472604 -9.62489245
0.00005127 -0.00032392 -0.00022845
-0.03169220 0.01123730 -0.02301535
1.44110166 -7.95385040 6.70394444
0.00018227 0.00024339 0.00014000
-0.01794372 0.00542074 -0.01937377
-3.73885196 -1.14222012 -18.14512352
0.00029113 0.00036628 0.00032269
0.00666977 0.02352118 -0.00148957
3.20931796 4.27405139 -10.66628411
-0.00031143 0.00002827 0.00015799
0.02834604 -0.01438460 0.02179765
-2.64442718 16.84211290 13.92732268
0.00019046 -0.00015745 0.00012141
-0.00440725 0.00928564 -0.03841876
-2.27361120 2.07580126 -7.05424541
-0.00003944 0.00020990 0.00012460
0.02155004 0.00512633 0.02934114
-6.69582189 -2.03731742 -4.44095352
-0.00018729 0.00009972 -0.00016482
0.03681619 0.01332550 0.01107468
0.35176672 28.24130242 7.29665195
0.00013384 0.00014906 0.00030769
0.02761138 -0.00633018 0.03352592
10.04501987 -9.13079517 -1.46324153
0.00013849 -0.00008187 -0.00002013
0.00069498 0.01108708 -0.02964769
-6.84776643 0.41098880 7.57660232
-0.00001347 0.00026420 0.00008600
0.01507259 0.00205843 0.04799465
18.68348762 11.72177139 6.34122317
0.00029451 -0.00010447 0.00004496
-0.01162208 -0.02401661 0.01128169
-3.28725910 -3.92299402 -23.27973516
-0.00025177 0.00030716 -0.00000126
-0.01290099 -0.01672333 -0.02026727
-13.63490601 8.30893999 8.33616712
0.00004741 0.00015341 0.00024417
-0.00862444 -0.00905039 -0.00111229
-12.10339693 7.46871232 -2.67635088
-0.00039645 -0.00031042 -0.00038904
0.01908291 0.02255710 0.00790486
-3.31649909 -16.28846050 20.45748482
-0.00040034 -0.00030736 0.00012473
-0.03305183 -0.01848991 0.00248876
-3.31153291 6.95466618 -7.90962572
-0.00049903 0.00026482 0.00027391
0.00490428 -0.02165453 -0.03253829
-20.68972020 29.57229302 1.34492372
-0.00005717 0.00024115 -0.00011183
0.03073397 0.00044663 0.00882946
9.80881947 3.20052804 7.49455999
0.00023150 -0.00010686 0.00001916
0.03363122 -0.03470474 -0.00319769
6.37622767 14.50751704 -13.10563442
0.00003574 0.00010642 0.00036278
0.01658033 0.03231141 -0.04482421
14.12885345 3.79256127 -2.83898494
0.00000250 -0.00013115 0.00013769
0.01301663 -0.03615739 0.04982786
-6.29429188 11.06240747 -0.43280887
0.00003973 -0.00001017 0.00020032
0.01895742 -0.00927201 -0.00224639
6.14532615 13.20226583 3.15292846
0.00033739 0.00013531 -0.00013634
-0.03454771 0.01314516 0.00195179
21.90521375 -12.24369239 -11.66041837
0.00002348 0.00029087 -0.00032585
-0.01497270 0.01115918 0.01648067
16.70903637 -6.34498290 3.35789634
0.00023197 0.00013169 -0.00000413
-0.01091615 -0.00981093 0.01811833
15.30091273 7.20419892 9.85072149
0.00017774 -0.00022501 -0.00032764
-0.01161592 0.00378472 0.01230606
3.04189670 -13.84124708 16.47169839
-0.00008705 0.00028833 -0.00028996
-0.00510640 0.02127297 -0.02940177
-3.56097977 -0.95071185 -10.78258891
-0.00012199 -0.00053058 -0.00011385
0.00476878 0.01626812 -0.01215714
15.36788170 -7.90874722 -9.53272164
-0.00006311 0.00012513 -0.00010557
-0.01803138 -0.00981139 0.03185951
8.94449103 -3.46617452 6.37826051
0.00037543 -0.00042588 0.00015182
-0.02978310 0.01522125 -0.02022085
-21.47202924 1.60390393 24.51298227
-0.00031709 -0.00009641 -0.00018223
-0.00725145 -0.00835646 0.00101319
24.90699532 -1.72868353 -6.49423712
-0.00000803 -0.00004555 -0.00000108
0.00043525 0.00697281 0.01988318
11.70948290 -11.83446244 -9.99924215
0.00024766 -0.00007532 -0.00004315
-0.00276867 -0.00978705 -0.02820551
-4.84722275 -10.27318719 16.59150447
0.00026036 -0.00017666 -0.00014099
0.04587472 -0.02394583 0.06152076
8.15198894 2.33380750 -30.61549288
0.00011961 0.00034865 -0.00055332
-0.01008681 -0.00760138 -0.00533853
10.87886015 17.14562615 14.74393105
0.00025303 -0.00036588 -0.00030478
0.00586027 -0.01775659 0.00901851
30.65377984 7.27902533 -7.63097669
-0.00011154 0.00003276 0.00026754
0.05539231 -0.01950649 -0.00167742
5.79352056 -30.11049195 -5.25597060
0.00013749 -0.00044541 0.00055790
-0.00770383 -0.00856923 0.01315746
3.95943396 -30.89008296 -3.06778501
0.00021337 -0.00024612 0.00043942
-0.01908352 0.01368110 0.01169516
-12.45161577 -1.91230031 -13.42877486
-0.00041963 0.00093753 -0.00026764
0.00141642 -0.00571892 0.01725492
-11.63737807 0.71773352 -12.62906593
0.00009710 0.00046434 0.00041542
-0.00629725 -0.02313351 0.01588733
-38.01066311 3.77337552 2.27562554
-0.00087376 0.00114670 0.00012004
-0.00066803 0.02215024 -0.01283926
-39.70041569 1.75498415 3.34511955
-0.00017046 0.00106050 -0.00026959
0.00375509 -0.00394554 0.00152870
-9.76316684 -3.31451599 0.71310572
0.00011143 -0.00064945 0.00004973
-0.00812173 0.00413094 0.01163548
-8.21421655 -3.57030192 3.36109491
-0.00006662 0.00005835 0.00111516
-0.02616844 0.00887797 -0.02289748
0.08407552 -0.47923549 7.22379489
0.00027541 -0.00072701 0.00094256
0.01497500 0.00597822 0.02410766
1.95664011 1.10324065 8.92951255
0.00005265 0.00037215 0.00040430
0.00494627 0.00550706 -0.00206861
-32.18968151 1.01539525 2.52391987
-0.00035933 -0.00051917 -0.00001920
0.00049615 0.00982605 -0.01817586
-34.15472962 3.11322801 2.15156232
0.00079152 0.00085514 -0.00092156
-0.00239021 -0.00053391 -0.00543552
12.82348714 12.78392749 -15.30133245
0.00022417 -0.00009537 -0.00032241
-0.05789984 -0.02808311 -0.02914001
15.52620615 12.86263114 -15.17578481
0.00006303 -0.00086311 0.00049946
-0.01729737 0.02108344 0.02860886
-3.96848613 8.82817059 4.77376974
-0.00007414 0.00000562 -0.00006670
0.00476321 -0.00204996 -0.01885347
-3.42984813 6.81578375 2.23987002
-0.00063386 0.00006837 -0.00061354
-0.01074746 0.01728231 0.05135558
5.98036629 16.09373708 -10.14981604
0.00064017 -0.00070423 0.00107969
-0.00171750 -0.00975418 -0.02756769
7.56842970 16.89911845 -7.99060765
-0.00003683 -0.00005742 0.00012434
0.00340562 0.00405206 0.00431154
7.90865020 7.17127324 -22.54670506
-0.00024377 -0.00005183 -0.00089165
-0.00160523 0.00272965 -0.00459921
7.98894833 7.69327677 -19.69648926
-0.00044434 0.00105651 0.00036596
-0.00261294 0.00405704 -0.00796330
21.74962106 17.90388941 -2.36373636
-0.00010319 -0.00031686 -0.00048127
0.00744895 -0.00743356 0.00309924
24.56843999 18.00736914 -3.33686743
0.00036088 -0.00044272 -0.00024020
-0.00288163 0.00438212 -0.00375322
1.26664885 11.10164412 -21.53088282
0.00000660 0.00069196 0.00046498
-0.00705340 0.01548898 0.00431268
0.67727120 14.04016788 -22.27209382
-0.00045839 -0.00076792 -0.00025535
0.00929100 -0.00922569 0.00618324
9.76986083 -5.43605927 -1.59422672
-0.00047790 -0.00051342 -0.00016638
0.01991550 0.04935271 -0.00380118
9.03601579 -2.49084870 -2.45223267
0.00117912 -0.00030256 -0.00179316
0.01841571 -0.02216621 0.01220896
-18.94913194 -4.11957517 5.24770833
0.00022325 -0.00001877 0.00047106
0.01691548 0.01090464 -0.01330491
-17.07644683 -3.02623156 3.08228389
0.00013286 0.00017777 0.00049393
-0.01653270 -0.00816378 0.00359212
-15.43275134 0.16487538 16.75449510
-0.00005668 0.00045675 0.00002996
0.00654414 0.00092046 0.01276996
-13.78358458 1.12696763 18.95765184
-0.00007096 -0.00070956 -0.00018739
-0.00874000 0.00113463 -0.00265645
3.15672305 3.61031095 -4.46698432
-0.00030043 0.00073566 0.00079890
-0.00058613 0.00646571 0.00383676
3.41022484 1.07097495 -3.19224202
-0.00108950 0.00027103 0.00044158
0.00617791 0.00551276 0.00372752
22.85838464 -9.46768322 -10.29859129
0.00055177 0.00026251 -0.00000724
0.01051109 -0.00211104 0.00160197
24.87411248 -7.85653483 -8.63120149
0.00007688 0.00003827 0.00023058
0.02963591 -0.00689833 0.01534258
2.31843551 -8.77204887 5.33822721
0.00072049 -0.00127786 0.00086456
0.00042242 -0.00000552 -0.00332839
2.62203733 -7.88204215 8.03897272
-0.00068434 -0.00137463 0.00052009
0.01682251 0.00263939 0.01907411
-3.90885645 -2.81914182 -17.57961659
0.00108139 0.00011034 -0.00066856
0.00196474 -0.03191718 0.00318581
-4.93849930 -0.35578179 -16.95251006
-0.00056804 0.00008536 -0.00008797
-0.00019373 0.00471051 -0.00406665
2.23986643 4.71573738 -12.11151167
-0.00013998 -0.00034067 0.00091135
-0.01999496 0.00801145 -0.00805972
2.18535680 3.68711014 -9.27696201
-0.00056847 0.00088316 0.00028164
-0.01181202 0.00674034 -0.01104692
-0.96947454 16.31160345 13.24360603
-0.00060876 0.00081049 -0.00050939
-0.00678868 -0.01058638 0.00973531
-2.48798157 17.12570988 15.66111629
-0.00026639 0.00034996 0.00079756
0.00437508 0.00269395 0.03070648
-1.65767445 1.08798366 -5.61045585
-0.00002379 0.00010816 0.00058247
-0.01316044 0.00718685 -0.01685184
-2.79804533 0.94809880 -8.40404099
-0.00025134 -0.00081341 -0.00067495
-0.00959348 -0.01401958 -0.00246693
-8.08313614 -2.95141674 -4.99141626
-0.00045943 -0.00091713 0.00058289
-0.03726263 -0.02878946 -0.01188395
-7.39283393 -0.42774872 -4.03702262
0.00042603 -0.00016241 0.00036374
-0.00216101 0.01726233 0.00334484
1.37948713 28.39302634 5.84070452
0.00016295 -0.00047300 -0.00098373
0.00803036 0.00308033 -0.02043247
-1.30114100 28.46147197 6.71562345
-0.00116236 -0.00006025 -0.00024169
-0.03909258 -0.00156421 -0.02272054
8.34104073 -9.09446927 -2.24670578
-0.00011720 -0.00004532 -0.00018874
0.00792260 -0.00847617 0.01489397
10.07793180 -10.03586049 0.10297273
0.00032880 0.00029357 -0.00049304
-0.00448525 -0.00173896 0.01317797
-5.81322002 0.16667088 9.24203977
-0.00112547 0.00060596 0.00044643
-0.00951863 0.00268860 -0.03633981
-8.42903779 -0.25452120 8.21441953
-0.00019956 0.00022038 0.00056829
-0.00591268 -0.00412485 -0.00687660
19.78568329 11.26151380 7.74872482
-0.00023628 -0.00051235 0.00158917
-0.00173357 0.00572332 0.00054657
19.49222880 13.08206382 5.52124657
-0.00023667 0.00083337 0.00053430
0.01500325 0.01778049 -0.00842481
-2.99226523 -2.56155724 -22.20630536
0.00165127 0.00098142 -0.00022150
0.00809228 0.02900808 0.03057055
-4.78626211 -3.32794135 -24.19673839
-0.00000571 -0.00110141 -0.00000545
-0.00209195 -0.00563781 -0.00875138
-12.48926464 9.19567758 9.45958127
-0.00003779 -0.00015367 0.00059032
0.00247998 0.00200086 0.00047848
-13.16288818 8.72923791 6.61854426
-0.00010010 -0.00036663 0.00035306
0.00641244 0.00932222 0.00215275
-12.57227067 7.40180587 -4.43758613
-0.00015739 -0.00026206 -0.00023054
-0.01127605 -0.00425231 -0.01610868
-11.46256842 9.22446649 -2.52015238
0.00004895 0.00044068 0.00015965
-0.00975415 -0.01524799 0.00286563
-4.87357098 -17.39018583 20.07809589
0.00051049 0.00019453 -0.00060400
0.02575175 0.02210773 0.00354376
-1.91749821 -17.10558052 19.64901181
-0.00086587 0.00084745 -0.00052125
0.00288282 -0.00201524 -0.00377052
-3.65078518 5.47326478 -6.90713016
-0.00003473 -0.00023427 -0.00041902
0.00637936 -0.00369519 -0.00053825
-3.59414060 8.38904140 -6.92951011
-0.00027772 -0.00084066 -0.00024690
-0.01253077 0.03513792 0.02860973
-21.19543870 28.25666562 0.15267337
-0.00021053 -0.00056865 0.00057872
0.01313646 0.00731048 0.01243036
-18.79913310 29.39327683 1.71849709
0.00058402 0.00039796 -0.00031797
-0.03752696 -0.00014122 -0.02227148
8.81699053 2.49524775 6.15847811
-0.00155263 -0.00027941 -0.00031446
-0.01761956 0.00063644 -0.00823689
9.20858403 4.80889764 7.90674781
0.00048234 -0.00085005 0.00010212
-0.02096253 0.04157864 0.01224492
7.11178127 15.02848017 -14.83313390
0.00020420 0.00121567 0.00106660
-0.01529158 -0.00666821 0.04405310
6.38256115 12.73258380 -13.19783405
0.00114563 0.00163640 0.00024451
0.00260885 -0.02838282 0.00062462
13.29730052 5.22189406 -3.47259271
-0.00013107 0.00014457 -0.00024128
-0.01831878 0.02442693 -0.00623780
13.44882650 3.56112534 -1.01915993
-0.00074036 -0.00176499 0.00054855
0.00729370 0.00439348 -0.03984545
-5.35812123 9.55073695 0.06081439
0.00111908 -0.00083534 -0.00041735
-0.00169129 0.00951609 -0.00594054
-7.99799430 10.57915681 -0.06707536
0.00010153 -0.00150262 -0.00114719
-0.01166379 0.00265394 0.00662590
4.60495535 12.76993217 2.18109250
-0.00018102 0.00051368 -0.00000803
0.00836766 0.01184469 0.00686952
7.35579307 12.06324163 2.54582195
-0.00035615 0.00141141 0.00051858
0.02448890 -0.01788706 -0.00269161
20.72703439 -12.87665136 -10.40067447
0.00044111 -0.00023471 0.00119112
0.00056216 -0.00368416 -0.00087319
22.12005693 -13.64306351 -12.80298132
0.00058340 -0.00051390 -0.00044506
0.01304590 -0.01049539 -0.00918641
18.03719060 -6.00366996 2.18020766
-0.00074507 0.00018947 0.00053205
-0.00042969 -0.00965213 -0.01735035
16.14877862 -8.12392982 3.27541533
0.00038808 -0.00063588 -0.00040597
0.00987864 0.02315563 -0.01009607
14.12380569 8.24769084 10.91339410
0.00015805 -0.00009291 0.00046116
0.01543951 -0.00869231 -0.01804454
16.57747926 6.62455659 11.04250604
0.00012029 -0.00021695 -0.00067465
-0.00433389 0.00402592 -0.00063450
2.38376413 -13.08130317 14.89733722
-0.00167492 -0.00039674 0.00013276
-0.00112981 -0.02375034 0.00847696
3.59604322 -12.24838900 17.16189461
-0.00032487 -0.00051555 0.00033887
0.01097176 -0.00116551 0.01796802
-3.45579234 -2.68436719 -10.14753066
-0.00028937 0.00028695 0.00027612
0.00410295 -0.00123025 0.00450249
-1.91139549 -0.48936036 -11.60220889
0.00070273 -0.00037920 -0.00060484
-0.01071289 -0.01224531 0.00397805
14.94311979 -7.61906060 -11.25022553
0.00096747 -0.00027248 0.00091076
-0.00022893 0.00210671 -0.02652365
16.84011939 -6.99735285 -8.93839817
0.00067034 0.00016712 -0.00067876
0.00950248 0.00705828 -0.00695232
7.27081467 -2.79636792 5.66648299
0.00088104 -0.00030771 -0.00094258
0.01959114 -0.01592767 0.02540605
9.98966455 -3.34993161 4.86835846
0.00084559 -0.00120859 -0.00056744
0.01311928 -0.00399033 -0.00086904
-21.48120679 1.23712052 22.71732363
0.00099600 -0.00054288 0.00060358
0.00128838 0.00317142 0.00654003
-22.86427907 0.60289200 25.24314009
-0.00029547 0.00043994 -0.00057461
0.00724874 0.00667857 -0.00788154
25.58757735 -2.78617351 -7.79874415
0.00020672 0.00070457 -0.00068296
0.00424011 -0.00624850 -0.01218685
23.66880784 -0.56282928 -7.10520140
0.00002646 -0.00017721 -0.00021344
-0.00227731 -0.00271341 -0.01129384
11.34850446 -12.91641585 -8.63053787
0.00002482 -0.00059445 -0.00028013
-0.01542407 -0.01116793 0.01956344
12.55486157 -10.38239963 -9.41189688
0.00052183 0.00044823 0.00001832
0.01788509 0.01996195 0.00498681
-5.40991372 -10.43212576 18.40272813
-0.00069535 0.00017953 -0.00023713
-0.00117112 0.00286534 -0.02924644
-6.10849869 -9.87563329 15.46470121
-0.00026998 -0.00031231 0.00006062
-0.04075435 0.01260858 -0.02622956
8.99696228 1.13688353 -31.77154946
0.00110334 0.00022689 -0.00028296
-0.00503294 0.00006701 0.00420114
6.47064043 2.56539298 -31.34513357
0.00060699 0.00041168 -0.00060970
0.00786104 -0.00013029 -0.00369659
11.41235819 18.20026865 13.37537410
-0.00027555 -0.00096975 0.00000242
0.00229052 0.00655698 -0.01170160
11.97339313 15.63998256 14.64572511
-0.00066221 -0.00043581 0.00013633
-0.00649522 0.01731102 -0.00311701
30.70677481 5.44859550 -8.01264549
0.00040515 0.00005238 0.00057570
0.00073795 0.00587916 -0.00034979
28.98810890 7.66254507 -7.31623951
0.00053084 -0.00124816 -0.00058736
-0.05401969 0.01260830 0.00845328
-8.42073677 4.86998652 5.64256405
-0.00000500 -0.00012433 -0.00000028
0.01024438 0.00763974 0.00567528
-10.74783073 10.14537208 3.41761247
0.00004558 0.00000779 -0.00012339
-0.00112780 -0.00776595 0.00323047
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08442275
0.32772354
436.67518190
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.511 s
total exchange = -52.4007910251 (a.u.)
total exchange computation time: 2.8299372196 s
-154.3735387712
-931.40941009
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3999666411 (a.u.)
total exchange computation time: 2.8307929039 s
-154.3809084053
Anderson extrapolation: theta=1.3576426583 (1.3576426583)
-931.40964556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.510 s
total exchange = -52.3987437794 (a.u.)
total exchange computation time: 2.8306069374 s
-154.3916290554
Anderson extrapolation: theta=0.0545880847 (0.0545880847)
-931.40978631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3985966098 (a.u.)
total exchange computation time: 2.8293721676 s
-154.3928290734
Anderson extrapolation: theta=1.9789428051 (1.9789428051)
-931.40979173
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3982841849 (a.u.)
total exchange computation time: 2.8316009045 s
-154.3953332643
Anderson extrapolation: theta=0.2262397524 (0.2262397524)
-931.40979737
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3982100231 (a.u.)
total exchange computation time: 2.8288290501 s
-154.3958888067
Anderson extrapolation: theta=1.8149853826 (1.8149853826)
-931.40979838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3980977725 (a.u.)
total exchange computation time: 2.8286719322 s
-154.3966846408
Anderson extrapolation: theta=0.2799605005 (0.2799605005)
-931.40979941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3980888138 (a.u.)
total exchange computation time: 2.8300108910 s
-154.3967034041
Anderson extrapolation: theta=1.2792656412 (1.2792656412)
-931.40979959
-211.687466 121.361701 -35.756216
566.462087 1066.513989 -418.678351
354.774621 1187.875691 -454.434567
1320.387997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3980938897 (a.u.)
total exchange computation time: 2.8297200203 s
679.31941789
-1084.68521414
89.67692569
-388.44115202
-174.88168314
78.79959815
551.60419304
0.00000000
-931.40979961
5.56089618 -31.23171220 -3.76968838
-0.00030216 -0.00008319 -0.00000737
0.02146975 -0.00184712 -0.02900239
-11.83905104 -1.01956604 -11.82254139
-0.00015330 0.00003057 0.00004966
0.00919224 0.03152418 -0.02828060
-37.94299204 2.32835588 3.34140357
0.00031498 -0.00008627 -0.00012261
-0.00699383 -0.01030871 0.00592271
-9.72929149 -2.76666151 2.49818414
-0.00065855 0.00016640 -0.00018248
0.03844732 -0.00640983 0.02868282
0.74747061 -0.23889375 8.96672185
0.00025765 -0.00018753 -0.00023024
-0.01557375 -0.01203754 -0.01688689
-32.40419705 2.75550693 1.79782759
-0.00013201 0.00001303 -0.00005801
0.01314217 -0.02262047 0.02015917
13.97096515 13.69242992 -14.38566804
0.00023306 0.00040002 -0.00019544
0.07180927 0.00643114 0.00240702
-4.06659027 7.09474332 4.07049600
-0.00044121 -0.00006184 -0.00024252
0.00517047 -0.02039547 -0.03236747
5.79342850 16.70509902 -8.46725553
0.00017983 -0.00000495 0.00020473
-0.00059923 0.00551422 0.03057580
6.81322802 7.21482489 -21.04098549
-0.00019632 0.00026667 0.00009514
0.00559398 -0.00818062 0.01145931
23.42795705 17.11024399 -2.22962290
-0.00037069 0.00001029 0.00033464
0.00681545 -0.00227751 -0.00354298
1.38363591 12.89782419 -20.98450840
0.00011430 0.00011498 0.00030374
-0.00348749 -0.01046092 -0.01169472
10.41331249 -3.57054564 -1.69009101
0.00017382 0.00025397 0.00014669
-0.03989424 -0.03951531 -0.01759321
-17.88015443 -2.67585126 4.69744945
0.00021924 -0.00009876 0.00009136
-0.00955735 -0.00567199 0.00515297
-15.28733552 0.13466746 18.60459534
-0.00000619 0.00001285 -0.00013169
0.01442869 -0.01038892 -0.00909496
2.75346616 2.76010387 -2.90963580
-0.00017158 0.00001147 0.00004787
-0.01973246 0.00172418 0.00206129
23.42382226 -7.84954153 -9.62840797
0.00003616 -0.00031691 -0.00023928
-0.02704719 0.01601877 -0.01909982
1.44376652 -7.95017870 6.70596971
0.00017327 0.00024576 0.00012890
-0.01705832 0.00382084 -0.02379739
-3.73445935 -1.13663517 -18.14028899
0.00029438 0.00037870 0.00032191
0.00597687 0.02478885 -0.00150631
3.20475591 4.27442000 -10.66383010
-0.00029613 0.00002047 0.00017043
0.03114663 -0.01595649 0.02655549
-2.64158722 16.83978701 13.92899562
0.00018715 -0.00015206 0.00010377
-0.00849190 0.01167766 -0.03018466
-2.27411972 2.07896954 -7.05226319
-0.00002884 0.00021086 0.00013847
0.01969047 -0.00140004 0.02457970
-6.69848926 -2.03577022 -4.44338311
-0.00016914 0.00010496 -0.00015988
0.03375876 0.00706209 0.00815160
0.35388089 28.24351392 7.30139665
0.00014614 0.00014640 0.00032201
0.02020928 -0.00403080 0.02216647
10.04709986 -9.13198045 -1.46365777
0.00013842 -0.00007555 -0.00003665
-0.00094472 0.01348313 -0.03462081
-6.84791032 0.41495973 7.57807744
-0.00000671 0.00026504 0.00011084
0.01122061 0.00120295 0.04860328
18.68786043 11.72011163 6.34194114
0.00028945 -0.00011687 0.00005165
-0.00804120 -0.02418241 0.01470818
-3.29108547 -3.91845107 -23.27983222
-0.00025701 0.00029932 -0.00000994
-0.00747817 -0.01377639 -0.01349763
-13.63422816 8.31120624 8.33982542
0.00004278 0.00014857 0.00024412
-0.00937459 -0.00978368 0.00089527
-12.10927008 7.46414309 -2.68215603
-0.00038610 -0.00029761 -0.00038430
0.02117494 0.02724938 0.01054806
-3.32263172 -16.29314229 20.45936537
-0.00041721 -0.00031578 0.00012662
-0.03252637 -0.01425531 0.00485827
-3.31899945 6.95855488 -7.90564258
-0.00049600 0.00025149 0.00025547
0.00688416 -0.03017460 -0.03917056
-20.69045915 29.57591192 1.34328036
-0.00004087 0.00024106 -0.00010733
0.03262509 -0.00079547 0.00866559
9.81242165 3.19879130 7.49483503
0.00024776 -0.00012706 0.00001518
0.02959743 -0.04387247 -0.01228441
6.37682767 14.50923801 -13.10036567
0.00004406 0.00012651 0.00034038
0.01577878 0.04581860 -0.04226488
14.12894114 3.79045453 -2.83672744
0.00000849 -0.00014917 0.00016338
0.01028299 -0.03389725 0.05009538
-6.29362281 11.06221917 -0.42981277
0.00005024 -0.00001642 0.00019960
0.02190905 -0.01505358 -0.00053016
6.15025380 13.20434625 3.15089091
0.00031675 0.00014439 -0.00013424
-0.04572493 0.02215288 0.00619540
21.90550812 -12.23928636 -11.66524261
0.00001491 0.00029497 -0.00031709
-0.01832871 0.00480719 0.01759888
16.71247379 -6.34304538 3.35790428
0.00022443 0.00012511 0.00000653
-0.01839557 -0.01577301 0.02331923
15.30353403 7.20083844 9.84585441
0.00017101 -0.00022252 -0.00032115
-0.01455377 0.00587154 0.01291578
3.04057130 -13.83684001 16.46723561
-0.00009009 0.00029800 -0.00030520
-0.00671689 0.01633267 -0.02988089
-3.56279128 -0.95860785 -10.78434357
-0.00011845 -0.00052075 -0.00012085
0.00901038 0.02195466 -0.01504457
15.36686544 -7.90690807 -9.53418232
-0.00007097 0.00012022 -0.00008650
-0.01253122 -0.00927951 0.04230861
8.95000761 -3.47250394 6.38045983
0.00036097 -0.00041800 0.00014010
-0.02647150 0.01542145 -0.02536160
-21.47681359 1.60242555 24.51025279
-0.00032015 -0.00009995 -0.00018074
-0.00464152 -0.00540757 0.00477350
24.90687659 -1.72933995 -6.49417663
-0.00000769 -0.00004227 0.00000871
0.00088660 0.00579945 0.01817054
11.71318715 -11.83562992 -9.99999816
0.00024680 -0.00007958 -0.00005693
-0.00058218 -0.00678887 -0.02538141
-4.84314042 -10.27592940 16.58962695
0.00028286 -0.00018865 -0.00010979
0.04164303 -0.02268119 0.05979870
8.15374420 2.33900799 -30.62381333
0.00011550 0.00034438 -0.00055595
-0.00588704 -0.00900593 -0.00485662
10.88267823 17.14006944 14.73939408
0.00025498 -0.00037517 -0.00029887
0.00170205 -0.01837523 0.01399260
30.65232044 7.27944148 -7.62697001
-0.00008074 0.00002227 0.00026632
0.06438981 -0.02129993 -0.00308687
5.79534687 -30.11743573 -5.24719898
0.00010584 -0.00047531 0.00060532
-0.00778774 -0.00606488 0.01005768
3.96204972 -30.89335546 -3.06083536
0.00013121 -0.00018885 0.00048856
-0.02113268 0.01435295 0.01236151
-12.45786684 -1.89841261 -13.43226078
-0.00041379 0.00091248 -0.00019760
0.00144341 -0.00654083 0.01703387
-11.63611450 0.72398974 -12.62234781
0.00007109 0.00036794 0.00048043
-0.00643348 -0.02405642 0.01593841
-38.02378999 3.79125469 2.27703270
-0.00087272 0.00122603 0.00007663
0.00117681 0.01668621 -0.00841059
-39.70285759 1.77077075 3.34112257
-0.00015385 0.00104232 -0.00026174
0.00437956 -0.00495615 0.00231185
-9.76174426 -3.32413117 0.71420824
0.00007835 -0.00063206 0.00009702
-0.00806959 0.00438327 0.01151357
-8.21601778 -3.56915456 3.37712065
-0.00018205 0.00009900 0.00101567
-0.03033133 0.01101988 -0.02580284
0.08866554 -0.48995748 7.23867207
0.00033276 -0.00070310 0.00102717
0.01309788 0.00572645 0.01730827
1.95758139 1.10899165 8.93551360
0.00006920 0.00039103 0.00039489
0.00315473 0.00373342 -0.00253527
-32.19505620 1.00790878 2.52307493
-0.00035903 -0.00047407 -0.00009526
-0.00035018 0.01224928 -0.01905711
-34.14293013 3.12603869 2.13757236
0.00076811 0.00085512 -0.00094073
-0.00906794 0.00052399 -0.00394962
12.82507551 12.78163645 -15.30706150
-0.00000586 -0.00020486 -0.00043632
-0.05470266 -0.02551427 -0.02662047
15.52662153 12.85033053 -15.16741620
-0.00000706 -0.00077562 0.00061566
-0.01701116 0.02174605 0.02827172
-3.96945230 8.82819213 4.77219146
-0.00005488 -0.00000360 -0.00014409
0.00466420 -0.00246719 -0.01902631
-3.43968538 6.81733885 2.23224067
-0.00067784 0.00013857 -0.00040199
-0.01078181 0.01708174 0.05219712
5.98991623 16.08287468 -10.13446539
0.00063298 -0.00074702 0.00095865
-0.00180122 -0.01119065 -0.03168616
7.56798161 16.89838132 -7.98861043
-0.00002041 -0.00004007 0.00014369
0.00463098 0.00444322 0.00516210
7.90494451 7.17057947 -22.56022078
-0.00025456 -0.00003998 -0.00090129
-0.00367956 0.00306849 -0.00012018
7.98220322 7.70924876 -19.69124392
-0.00045582 0.00107204 0.00032968
-0.00301060 0.00354364 -0.00979551
21.74830152 17.89890867 -2.37086048
-0.00007630 -0.00034514 -0.00046905
0.00571144 -0.00640766 0.00288454
24.57376483 18.00086267 -3.34058546
0.00034269 -0.00042907 -0.00024998
-0.00602271 0.00229691 -0.00103281
1.26653177 11.11249820 -21.52377591
-0.00002219 0.00074694 0.00048132
-0.00703890 0.01142099 0.00368455
0.67068008 14.02836643 -22.27573458
-0.00041990 -0.00080415 -0.00022856
0.00955155 -0.00850918 0.00692866
9.76330262 -5.44224821 -1.59683885
-0.00039320 -0.00030523 -0.00018178
0.02154551 0.05255892 -0.00373691
9.05426687 -2.49606640 -2.47875589
0.00125138 -0.00039060 -0.00174311
0.01695960 -0.02092630 0.01228883
-18.94526480 -4.11952254 5.25436657
0.00029274 0.00002541 0.00041611
0.01709899 0.01072325 -0.01359480
-17.07496048 -3.02381521 3.08980286
0.00006784 0.00014264 0.00050233
-0.01529683 -0.00902977 0.00052331
-15.43340105 0.17175491 16.75533577
-0.00003080 0.00046032 0.00007980
0.00612697 0.00082435 0.01162809
-13.78491677 1.11635899 18.95475957
-0.00010076 -0.00070091 -0.00019626
-0.00584890 0.00310181 -0.00168606
3.15219858 3.62154400 -4.45488327
-0.00030104 0.00076287 0.00080991
0.00029008 0.00685270 0.00155177
3.39407171 1.07520933 -3.18550417
-0.00106046 0.00028572 0.00045357
0.00803609 0.00168034 0.00214208
22.86698333 -9.46381028 -10.29865085
0.00059160 0.00024445 -0.00000421
0.00898527 -0.00672709 -0.00011761
24.87617377 -7.85617217 -8.62727260
0.00019185 0.00001012 0.00028918
0.02664255 -0.00688306 0.01334097
2.32925579 -8.79121688 5.35109357
0.00071813 -0.00127444 0.00085517
-0.00157628 0.00167713 -0.00126731
2.61228779 -7.90258073 8.04735863
-0.00061318 -0.00136325 0.00060301
0.01800960 0.00293103 0.02151263
-3.89257541 -2.81846483 -17.58954735
0.00108870 -0.00002016 -0.00065449
0.00161430 -0.03195963 0.00369850
-4.94702581 -0.35435703 -16.95395428
-0.00056653 0.00010192 -0.00010527
0.00093044 0.00339520 -0.00439983
2.23715403 4.71087288 -12.09808840
-0.00022792 -0.00030407 0.00086727
-0.02305235 0.00990169 -0.01351582
2.17646783 3.70056408 -9.27307599
-0.00061614 0.00091004 0.00023784
-0.01152619 0.00641656 -0.01039324
-0.97881402 16.32343637 13.23626343
-0.00062845 0.00076495 -0.00047049
-0.00284989 -0.01170406 0.00930671
-2.49184336 17.13104186 15.67402059
-0.00024847 0.00035804 0.00090746
0.00439641 0.00125992 0.02309273
-1.65843452 1.08982628 -5.60223513
-0.00007904 0.00014003 0.00050964
-0.01388601 0.00841331 -0.01879977
-2.80210941 0.93546810 -8.41424089
-0.00028567 -0.00086024 -0.00067251
-0.00721236 -0.00890523 0.00366319
-8.09116948 -2.96605592 -4.98303712
-0.00060220 -0.00102623 0.00053909
-0.03262282 -0.02461592 -0.00955495
-7.38650967 -0.42965584 -4.03146407
0.00041370 -0.00008790 0.00037801
-0.00387431 0.01920649 0.00364087
1.38217749 28.38602568 5.82532252
0.00018502 -0.00046170 -0.00105253
0.00277236 0.00245424 -0.01324928
-1.31977434 28.46052022 6.71130186
-0.00129689 -0.00006975 -0.00032623
-0.02676156 -0.00308249 -0.01866190
8.33952548 -9.09540877 -2.24908045
-0.00008205 -0.00008034 -0.00012635
0.00928236 -0.00866532 0.01564667
10.08272643 -10.03151018 0.09598100
0.00031032 0.00028177 -0.00043066
-0.00456363 -0.00403879 0.01735724
-5.83039376 0.17584260 9.24762260
-0.00116026 0.00061680 0.00029902
-0.00750963 0.00261851 -0.03581676
-8.43221242 -0.25134195 8.22273312
-0.00022053 0.00020525 0.00053704
-0.00434880 -0.00328090 -0.00841966
19.78208604 11.25400387 7.77257914
-0.00024951 -0.00048461 0.00158049
-0.00474476 0.00785631 -0.00479588
19.48913855 13.09510920 5.52900286
-0.00017690 0.00090137 0.00050409
0.01425463 0.01550816 -0.00635926
-2.96724826 -2.54594703 -22.20869103
0.00167911 0.00108808 -0.00010886
0.00553550 0.02320231 0.02456381
-4.78641179 -3.34463519 -24.19708835
-0.00002013 -0.00111840 -0.00004257
-0.00497028 -0.00268109 -0.00941826
-12.48975542 9.19343388 9.46845075
-0.00002758 -0.00014520 0.00059089
0.00251539 0.00214463 -0.00019769
-13.16419315 8.72402408 6.62390614
-0.00007232 -0.00032714 0.00035900
0.00718690 0.01001034 0.00075347
-12.57497706 7.39774459 -4.44153780
-0.00020408 -0.00027849 -0.00029896
-0.01157935 -0.00378763 -0.01738451
-11.46213313 9.23060943 -2.51766975
0.00000479 0.00036820 0.00016936
-0.01185935 -0.02023117 0.00188352
-4.86512451 -17.38659047 20.06914454
0.00060868 0.00028013 -0.00058967
0.02231511 0.01979746 0.00346950
-1.93039785 -17.09293045 19.64107748
-0.00084560 0.00083598 -0.00054051
0.00703823 -0.00360227 -0.00565813
-3.65111069 5.46963755 -6.91343189
-0.00000873 -0.00025008 -0.00042056
0.00634805 -0.00404451 -0.00021986
-3.59869039 8.37750822 -6.93233696
-0.00033266 -0.00067931 -0.00011700
-0.01436108 0.04384534 0.03497947
-21.19819406 28.24835991 0.16173513
-0.00015646 -0.00053721 0.00063053
0.01333132 0.00807991 0.01293024
-18.79152277 29.39924189 1.71304507
0.00042650 0.00039786 -0.00040957
-0.03957760 0.00009359 -0.02256689
8.79316121 2.49107612 6.15350887
-0.00161270 -0.00026902 -0.00033344
-0.01178451 0.00444723 -0.00105413
9.21517677 4.79742105 7.90865484
0.00039275 -0.00066914 0.00015561
-0.02289123 0.04697544 0.01393886
7.11437566 15.04651091 -14.81578501
0.00014288 0.00118873 0.00124324
-0.01472379 -0.00652063 0.04241675
6.39982552 12.75626003 -13.19414726
0.00115709 0.00149239 0.00024548
0.00299961 -0.04210942 -0.00014854
13.29477319 5.22481107 -3.47640300
-0.00020210 0.00023621 -0.00026157
-0.01645225 0.02043505 -0.00369804
13.43794464 3.53478511 -1.01215265
-0.00070865 -0.00174316 0.00038018
0.00822842 0.00629521 -0.04257227
-5.34138691 9.53849840 0.05437211
0.00110416 -0.00078437 -0.00044536
-0.00561002 0.01543737 -0.00777028
-7.99682873 10.55669878 -0.08408013
0.00005577 -0.00149172 -0.00112004
-0.01073948 0.00268529 0.00666450
4.60249642 12.77800029 2.18118260
-0.00014334 0.00056215 0.00002128
0.01007631 0.01188066 0.00747561
7.35120125 12.08386460 2.55351813
-0.00023682 0.00131984 0.00049726
0.03392454 -0.02693304 -0.00774137
20.73366828 -12.88028497 -10.38283443
0.00045184 -0.00024579 0.00117693
0.00469076 -0.00173751 -0.00607044
22.12920763 -13.65109362 -12.80993870
0.00063462 -0.00054855 -0.00047518
0.01202946 -0.00646412 -0.00555687
18.02600135 -6.00112365 2.18765670
-0.00073358 0.00015394 0.00044941
0.00605703 -0.00773924 -0.02310142
16.15490257 -8.13275842 3.26901643
0.00043029 -0.00053294 -0.00044606
0.01078106 0.02723158 -0.00953045
14.12664953 8.24603088 10.91975860
0.00022388 -0.00013098 0.00038371
0.01678500 -0.00994326 -0.01986757
16.57915082 6.62142570 11.03236679
0.00010557 -0.00020193 -0.00067494
-0.00287311 0.00332512 0.00049475
2.35860564 -13.08798201 14.89958832
-0.00167796 -0.00049116 0.00016793
-0.00035400 -0.02247000 0.00874129
3.59150640 -12.25615793 17.16752818
-0.00027842 -0.00051317 0.00041267
0.01176267 0.00233000 0.01815857
-3.46000717 -2.68010059 -10.14325088
-0.00027196 0.00027379 0.00029696
0.00442041 -0.00521307 0.00569638
-1.90118278 -0.49542360 -11.61115962
0.00065090 -0.00043171 -0.00058440
-0.01466089 -0.01346089 0.00602651
14.95762486 -7.62308318 -11.23737685
0.00096071 -0.00026084 0.00078161
-0.00308299 0.00359128 -0.03669902
16.85046560 -6.99462981 -8.94879259
0.00070403 0.00019200 -0.00070729
0.00698936 0.00512255 -0.00701254
7.28463068 -2.80147164 5.65312285
0.00096005 -0.00037257 -0.00083737
0.01908167 -0.01582249 0.02609243
10.00275045 -3.36818276 4.85982017
0.00089312 -0.00122521 -0.00056151
0.01014630 -0.00414240 0.00377256
-21.46622736 1.22907444 22.72657771
0.00100087 -0.00053200 0.00061985
0.00109602 0.00215710 0.00142397
-22.86848905 0.60969580 25.23427943
-0.00027055 0.00046364 -0.00060381
0.00494930 0.00492144 -0.00641074
25.59080811 -2.77579639 -7.80936200
0.00022353 0.00068015 -0.00072985
0.00398903 -0.00570798 -0.01076458
23.66913497 -0.56557053 -7.10874902
0.00001650 -0.00018711 -0.00025885
-0.00259816 -0.00213493 -0.01093813
11.34840406 -12.92567486 -8.63414033
-0.00003696 -0.00063645 -0.00020272
-0.01481823 -0.00939108 0.01832949
12.56323703 -10.37506455 -9.41146933
0.00058942 0.00051984 0.00003578
0.01520337 0.01509190 0.00356119
-5.42037993 -10.42934502 18.39827501
-0.00069758 0.00019062 -0.00035662
0.00007998 0.00256434 -0.02924576
-6.11379730 -9.87993156 15.46480676
-0.00043032 -0.00026239 -0.00004292
-0.03773138 0.01182900 -0.02445403
9.01335813 1.14028893 -31.77566509
0.00107901 0.00022990 -0.00026323
-0.00687388 0.00140813 0.00545460
6.47998622 2.57156424 -31.35439238
0.00063387 0.00041109 -0.00062765
0.00529664 -0.00015797 -0.00508928
11.40829510 18.18592334 13.37505185
-0.00026213 -0.00093657 -0.00005442
0.00428083 0.00968545 -0.01612234
11.96326089 15.63397587 14.64767461
-0.00068429 -0.00037013 0.00012276
-0.00431326 0.01483882 -0.00352602
30.71287467 5.44956137 -8.00402070
0.00040932 0.00007482 0.00057337
0.00130553 0.00510536 -0.00079301
28.99441623 7.64420898 -7.32479084
0.00029056 -0.00119130 -0.00054975
-0.06359871 0.01522561 0.00995488
-8.42078423 4.86814210 5.64257512
-0.00000135 -0.00012158 0.00000173
0.01015847 0.00771225 0.00555150
-10.74714896 10.14547535 3.41576727
0.00004531 0.00000597 -0.00012263
-0.00122562 -0.00784157 0.00327938
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08407139
0.32572822
434.01652200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3985600615 (a.u.)
total exchange computation time: 2.8297529221 s
-154.3561513022
-931.40706003
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3976801580 (a.u.)
total exchange computation time: 2.8291411400 s
-154.3637950172
Anderson extrapolation: theta=1.3560020874 (1.3560020874)
-931.40730440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3963660684 (a.u.)
total exchange computation time: 2.8298890591 s
-154.3749606013
Anderson extrapolation: theta=0.0535658100 (0.0535658100)
-931.40745064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3962018747 (a.u.)
total exchange computation time: 2.8302471638 s
-154.3762452702
Anderson extrapolation: theta=1.9598861567 (1.9598861567)
-931.40745631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3958539783 (a.u.)
total exchange computation time: 2.8294939995 s
-154.3789250073
Anderson extrapolation: theta=0.2222838165 (0.2222838165)
-931.40746238
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3957703781 (a.u.)
total exchange computation time: 2.8303360939 s
-154.3795307696
Anderson extrapolation: theta=1.8145439984 (1.8145439984)
-931.40746355
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3956418533 (a.u.)
total exchange computation time: 2.8304679394 s
-154.3804177159
Anderson extrapolation: theta=0.2756915790 (0.2756915790)
-931.40746496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3956302846 (a.u.)
total exchange computation time: 2.8297860622 s
-154.3804540234
Anderson extrapolation: theta=1.2807701535 (1.2807701535)
-931.40746529
-211.666958 121.339657 -35.775466
566.467849 1066.496664 -418.658545
354.800891 1187.836321 -454.434011
1320.359446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3956338419 (a.u.)
total exchange computation time: 2.8295068741 s
679.29022449
-1084.61302115
89.67568709
-388.48933717
-174.87538495
78.75805109
551.60419304
0.00000000
-931.40746553
5.55644664 -31.23296721 -3.76991077
-0.00029080 -0.00008499 -0.00002138
0.02268578 -0.00516077 -0.02547185
-11.84131502 -1.01898593 -11.82190555
-0.00014847 0.00004705 0.00003521
0.00958386 0.03257051 -0.02790386
-37.93829436 2.32702204 3.33958726
0.00031080 -0.00008985 -0.00012085
-0.00923433 -0.00359242 0.00092558
-9.73902147 -2.76419021 2.49555762
-0.00063785 0.00016262 -0.00016695
0.04206373 -0.00828702 0.03170217
0.75127536 -0.24175306 8.96320317
0.00025064 -0.00019308 -0.00023676
-0.01171198 -0.00956997 -0.00849184
-32.40612649 2.75561508 1.79703514
-0.00012335 0.00000058 -0.00004790
0.02054721 -0.02579333 0.01917366
13.97473808 13.69845506 -14.38859043
0.00026847 0.00040217 -0.00019514
0.06588202 0.00191758 -0.00122100
-4.07318850 7.09373702 4.06673338
-0.00043851 -0.00007214 -0.00025902
0.00534625 -0.01963847 -0.03179037
5.79612363 16.70504607 -8.46406671
0.00017922 -0.00000191 0.00022095
-0.00175723 0.00628499 0.03250506
6.81030476 7.21879345 -21.03951415
-0.00019287 0.00026245 0.00010032
0.00783670 -0.00824295 0.00866131
23.42242301 17.11038953 -2.22461698
-0.00036588 0.00000935 0.00033220
0.01189271 -0.00138175 -0.00594043
1.38533699 12.89950859 -20.97999748
0.00011248 0.00011056 0.00029775
-0.00360683 -0.00674415 -0.01159750
10.41576596 -3.56688857 -1.68795854
0.00015341 0.00023263 0.00013762
-0.03950087 -0.04345499 -0.01766121
-17.87690266 -2.67735446 4.69883977
0.00021400 -0.00010133 0.00009483
-0.01084334 -0.00434132 0.00833150
-15.28737271 0.13482009 18.60258495
0.00000054 0.00000705 -0.00013628
0.01174496 -0.01214903 -0.00877450
2.75081635 2.76028262 -2.90890978
-0.00018237 0.00001325 0.00004986
-0.02220718 0.00520104 0.00567215
23.42426038 -7.85423344 -9.63207084
0.00002371 -0.00030742 -0.00024790
-0.02139415 0.02091327 -0.01442880
1.44629978 -7.94647753 6.70781139
0.00016496 0.00024731 0.00011579
-0.01525315 0.00218250 -0.02716460
-3.73002062 -1.13085899 -18.13546608
0.00029726 0.00039145 0.00032123
0.00521340 0.02476938 -0.00116104
3.20043416 4.27466551 -10.66117124
-0.00027951 0.00001193 0.00018510
0.03346723 -0.01725699 0.03050677
-2.63881278 16.83755122 13.93043569
0.00018167 -0.00014539 0.00009056
-0.01280261 0.01422956 -0.02116083
-2.27447635 2.08212701 -7.05009134
-0.00001921 0.00020862 0.00014983
0.01774457 -0.00731817 0.01959947
-6.70089619 -2.03416854 -4.44574981
-0.00015294 0.00010689 -0.00015651
0.02923787 0.00044182 0.00495520
0.35615096 28.24569432 7.30631236
0.00015459 0.00014487 0.00033047
0.01264282 -0.00191227 0.01072170
10.04917256 -9.13306171 -1.46434110
0.00013761 -0.00006810 -0.00005555
-0.00222578 0.01548876 -0.03885057
-6.84796764 0.41893993 7.57992752
-0.00000201 0.00026546 0.00013584
0.00706029 0.00042997 0.04861351
18.69217121 11.71826532 6.34277258
0.00028626 -0.00012913 0.00005991
-0.00437326 -0.02348041 0.01743668
-3.29496953 -3.91401441 -23.28003340
-0.00025935 0.00029323 -0.00001498
-0.00161258 -0.00989921 -0.00611091
-13.63362264 8.31339700 8.34349061
0.00003779 0.00014337 0.00024508
-0.01002146 -0.01040821 0.00285264
-12.11497986 7.45978408 -2.68787980
-0.00037478 -0.00028261 -0.00037836
0.02281627 0.03108267 0.01253744
-3.32901528 -16.29793405 20.46128340
-0.00043360 -0.00032194 0.00012975
-0.03120497 -0.00967288 0.00731326
-3.32641288 6.96221080 -7.90196163
-0.00049204 0.00023421 0.00023391
0.00852900 -0.03702655 -0.04467483
-20.69094641 29.57952469 1.34170386
-0.00002380 0.00024040 -0.00010291
0.03376769 -0.00175551 0.00851800
9.81625217 3.19671609 7.49501531
0.00026179 -0.00015140 0.00000679
0.02497422 -0.05075013 -0.02033279
6.37754940 14.51131246 -13.09542298
0.00005180 0.00015319 0.00031953
0.01433889 0.05789792 -0.03882666
14.12910817 3.78808628 -2.83408348
0.00001297 -0.00016582 0.00018889
0.00714941 -0.03087894 0.04910113
-6.29278473 11.06191474 -0.42682076
0.00006200 -0.00002553 0.00019972
0.02383353 -0.02034011 0.00099287
6.15482869 13.20659756 3.14890115
0.00029062 0.00015795 -0.00012999
-0.05587158 0.03057354 0.01033836
21.90566110 -12.23484324 -11.66993109
0.00000474 0.00029583 -0.00030782
-0.02121432 -0.00148061 0.01843967
16.71576930 -6.34122954 3.35809213
0.00021321 0.00011568 0.00001980
-0.02522954 -0.02088681 0.02828043
15.30604305 7.19752325 9.84108698
0.00016286 -0.00021906 -0.00031446
-0.01712380 0.00761017 0.01309062
3.03919409 -13.83230694 16.46254230
-0.00009387 0.00030515 -0.00032059
-0.00798177 0.01146803 -0.02994557
-3.56453328 -0.96633449 -10.78621430
-0.00011286 -0.00050810 -0.00012924
0.01273141 0.02726307 -0.01759224
15.36575250 -7.90514051 -9.53531661
-0.00007606 0.00011565 -0.00006227
-0.00726110 -0.00849925 0.05191828
8.95531998 -3.47871438 6.38246350
0.00034831 -0.00041010 0.00012585
-0.02272858 0.01527373 -0.03003163
-21.48163375 1.60090544 24.50756014
-0.00032183 -0.00010191 -0.00017733
-0.00188374 -0.00221437 0.00848073
24.90676470 -1.72995164 -6.49397595
-0.00000709 -0.00003963 0.00001749
0.00142410 0.00445952 0.01600161
11.71688692 -11.83684977 -10.00094997
0.00024708 -0.00008232 -0.00006906
0.00166870 -0.00385867 -0.02180292
-4.83873683 -10.27884658 16.58821076
0.00030283 -0.00019986 -0.00008000
0.03599060 -0.02092828 0.05606236
8.15545404 2.34413901 -30.63217124
0.00011357 0.00033941 -0.00055827
-0.00163012 -0.01033255 -0.00417479
10.88650944 17.13437096 14.73496506
0.00025478 -0.00038457 -0.00029050
-0.00248325 -0.01817282 0.01856036
30.65135778 7.27969331 -7.62298713
-0.00004605 0.00001112 0.00026456
0.07048026 -0.02205991 -0.00377131
5.79669591 -30.12475120 -5.23781097
0.00007413 -0.00049425 0.00063915
-0.00773590 -0.00320859 0.00650315
3.96337034 -30.89574832 -3.05312813
0.00004278 -0.00012927 0.00053956
-0.02215453 0.01481059 0.01260033
-12.46402946 -1.88492578 -13.43470276
-0.00040794 0.00088405 -0.00012878
0.00142250 -0.00737631 0.01665243
-11.63524522 0.72877164 -12.61465289
0.00004470 0.00026903 0.00054500
-0.00648650 -0.02435729 0.01566824
-38.03684475 3.81015650 2.27792441
-0.00086393 0.00128238 0.00005149
0.00312878 0.01089796 -0.00389642
-39.70503107 1.78625362 3.33726727
-0.00013474 0.00102000 -0.00025077
0.00497343 -0.00596700 0.00305998
-9.76081623 -3.33347771 0.71601637
0.00004551 -0.00061372 0.00014352
-0.00800545 0.00459354 0.01124982
-8.21967791 -3.56733184 3.39156503
-0.00031244 0.00014739 0.00090544
-0.03349766 0.01266727 -0.02815590
0.09405828 -0.50032852 7.25461001
0.00038155 -0.00068070 0.00108197
0.01078805 0.00523683 0.00951439
1.95871602 1.11497146 8.94135927
0.00007813 0.00040222 0.00038360
0.00121826 0.00174578 -0.00299146
-32.20045236 1.00117303 2.52106205
-0.00036213 -0.00041996 -0.00017439
-0.00116822 0.01423808 -0.01967597
-34.13168638 3.13888147 2.12334035
0.00071766 0.00085950 -0.00095395
-0.01562627 0.00162222 -0.00251971
12.82331136 12.77778174 -15.31442201
-0.00021869 -0.00030072 -0.00053689
-0.04947747 -0.02141160 -0.02260840
15.52599436 12.83936265 -15.15731494
-0.00007516 -0.00068615 0.00072965
-0.01632489 0.02204604 0.02752824
-3.97013262 8.82806246 4.76944714
-0.00003608 -0.00001432 -0.00022188
0.00453824 -0.00277771 -0.01905187
-3.45018340 6.81994083 2.22781028
-0.00072132 0.00020751 -0.00018906
-0.01050240 0.01666405 0.05203593
5.99935577 16.07132644 -10.12105666
0.00062535 -0.00079485 0.00082332
-0.00193688 -0.01222324 -0.03455855
7.56781734 16.89791649 -7.98629684
0.00000075 -0.00002119 0.00016636
0.00572695 0.00479761 0.00593516
7.90101331 7.17007375 -22.57374387
-0.00027347 -0.00002675 -0.00089304
-0.00557349 0.00341018 0.00416215
7.97527360 7.72543794 -19.68659891
-0.00046866 0.00108551 0.00028635
-0.00327373 0.00305124 -0.01141501
21.74733201 17.89353523 -2.37780781
-0.00005693 -0.00036906 -0.00045776
0.00377147 -0.00530011 0.00264168
24.57872056 17.99449696 -3.34436679
0.00031189 -0.00042366 -0.00024885
-0.00905436 0.00035109 0.00158659
1.26598329 11.12405223 -21.51644318
-0.00005093 0.00078435 0.00049486
-0.00703219 0.00689537 0.00294184
0.66467434 14.01604349 -22.27895071
-0.00038063 -0.00083701 -0.00019916
0.00967091 -0.00757547 0.00746320
9.75806484 -5.44521602 -1.59968000
-0.00030269 -0.00008620 -0.00019679
0.02275986 0.05465505 -0.00361313
9.07355733 -2.50256659 -2.50452598
0.00131706 -0.00047295 -0.00169331
0.01518986 -0.01938853 0.01208671
-18.94034972 -4.11881273 5.26019164
0.00036220 0.00006803 0.00036044
0.01690398 0.01013501 -0.01365538
-17.07441161 -3.02195227 3.09735390
0.00000821 0.00010405 0.00049787
-0.01389170 -0.00986141 -0.00270735
-15.43367527 0.17868495 16.75688908
-0.00000675 0.00046349 0.00012422
0.00564534 0.00072832 0.01011447
-13.78660742 1.10594044 18.95176397
-0.00011838 -0.00068409 -0.00020102
-0.00277652 0.00513204 -0.00064425
3.14769188 3.63319703 -4.44268711
-0.00029812 0.00079155 0.00081179
0.00113853 0.00718690 -0.00063169
3.37841108 1.07954669 -3.17863503
-0.00102385 0.00028459 0.00045904
0.00988391 -0.00223677 0.00053770
22.87613269 -9.46034961 -10.29871762
0.00062507 0.00020724 -0.00000836
0.00739656 -0.01148839 -0.00191367
24.87986788 -7.85623135 -8.62252610
0.00029255 -0.00001791 0.00033815
0.02265335 -0.00683370 0.01063188
2.33997946 -8.81028211 5.36388227
0.00070757 -0.00126395 0.00085414
-0.00359508 0.00345814 0.00076472
2.60364198 -7.92293969 8.05706295
-0.00053910 -0.00135082 0.00069373
0.01825278 0.00315216 0.02289827
-3.87619543 -2.81974652 -17.59925144
0.00109470 -0.00014805 -0.00063916
0.00132457 -0.03064727 0.00381002
-4.95549530 -0.35272419 -16.95566815
-0.00056041 0.00011302 -0.00012388
0.00206547 0.00203676 -0.00471175
2.23302885 4.70661522 -12.08549345
-0.00032731 -0.00026022 0.00080229
-0.02559814 0.01156647 -0.01829307
2.16687247 3.71441126 -9.26982693
-0.00066267 0.00093548 0.00019699
-0.01125075 0.00603555 -0.00960101
-0.98832815 16.33455200 13.22949122
-0.00063154 0.00071483 -0.00043374
0.00133706 -0.01283221 0.00868492
-2.49543572 17.13645105 15.68834015
-0.00023053 0.00035997 0.00098487
0.00438856 -0.00031494 0.01479981
-1.66004562 1.09218452 -5.59516658
-0.00013669 0.00017610 0.00043016
-0.01433276 0.00924482 -0.02010728
-2.80661551 0.92229164 -8.42421629
-0.00031061 -0.00088661 -0.00064590
-0.00499345 -0.00400543 0.00936232
-8.10120215 -2.98220371 -4.97524356
-0.00072341 -0.00111623 0.00050565
-0.02671210 -0.01944095 -0.00681539
-7.38042285 -0.43038586 -4.02568238
0.00039486 -0.00000673 0.00039324
-0.00534795 0.02053044 0.00381322
1.38503777 28.37917543 5.80912852
0.00018584 -0.00045274 -0.00109185
-0.00237116 0.00193168 -0.00599764
-1.34004779 28.45937957 6.70583656
-0.00138087 -0.00008527 -0.00039403
-0.01434596 -0.00451423 -0.01452569
8.33857911 -9.09687933 -2.25049619
-0.00004206 -0.00011598 -0.00006132
0.01029405 -0.00878511 0.01618294
10.08724137 -10.02740740 0.09005302
0.00029163 0.00026122 -0.00035233
-0.00458419 -0.00602167 0.02098205
-5.84802774 0.18517480 9.25101035
-0.00118627 0.00062727 0.00015506
-0.00522283 0.00250684 -0.03465300
-8.43565358 -0.24836378 8.23053070
-0.00023508 0.00019358 0.00049952
-0.00277349 -0.00243156 -0.00994818
19.77819800 11.24697542 7.79613954
-0.00027422 -0.00044853 0.00155074
-0.00734966 0.00980757 -0.00976604
19.48692192 13.10910503 5.53636942
-0.00012107 0.00095857 0.00048306
0.01307276 0.01249133 -0.00393900
-2.94189205 -2.52891484 -22.20957128
0.00169541 0.00116904 -0.00002212
0.00244739 0.01642772 0.01789698
-4.78686609 -3.36149335 -24.19801551
-0.00004620 -0.00112333 -0.00008238
-0.00778792 0.00026918 -0.01006909
-12.49009205 9.19132162 9.47730811
-0.00001735 -0.00013629 0.00058870
0.00249479 0.00221677 -0.00087430
-13.16505766 8.71942374 6.62931420
-0.00004148 -0.00028498 0.00035933
0.00790655 0.01062691 -0.00059164
-12.57839311 7.39345118 -4.44655490
-0.00025167 -0.00029293 -0.00037134
-0.01171356 -0.00328260 -0.01804673
-11.46242466 9.23551248 -2.51507168
-0.00004732 0.00027706 0.00017511
-0.01365121 -0.02437992 0.00093078
-4.85531044 -17.38178180 20.06040582
0.00068980 0.00035484 -0.00057624
0.01739369 0.01677208 0.00310517
-1.94286616 -17.08050115 19.63279638
-0.00080928 0.00081826 -0.00056742
0.01074044 -0.00507328 -0.00751031
-3.65104715 5.46576245 -6.91974709
0.00001714 -0.00026716 -0.00042088
0.00631744 -0.00431522 0.00006353
-3.60412032 8.36866216 -6.93302005
-0.00039443 -0.00048590 0.00003662
-0.01587828 0.05083108 0.04021597
-21.20013239 28.24054938 0.17158933
-0.00010196 -0.00050316 0.00068384
0.01334624 0.00858761 0.01316623
-18.78633801 29.40521268 1.70621002
0.00026252 0.00039865 -0.00050177
-0.04069109 0.00029116 -0.02256805
8.76860966 2.48717704 6.14847503
-0.00164918 -0.00024361 -0.00032415
-0.00607341 0.00799457 0.00560100
9.22036660 4.78882340 7.91141613
0.00029688 -0.00047030 0.00021497
-0.02404134 0.05035894 0.01511932
7.11606768 15.06414203 -14.79583657
0.00008470 0.00116305 0.00141127
-0.01375493 -0.00605160 0.03983040
6.41727372 12.77735554 -13.19046957
0.00117064 0.00129460 0.00024333
0.00363528 -0.05471044 -0.00090725
13.29123756 5.22898048 -3.48043994
-0.00026460 0.00030981 -0.00027084
-0.01414250 0.01559217 -0.00083843
13.42756707 3.50883068 -1.00775447
-0.00067355 -0.00171373 0.00020244
0.00895025 0.00810772 -0.04443539
-5.32499640 9.52720594 0.04745363
0.00107402 -0.00071071 -0.00048022
-0.00914417 0.02062034 -0.00929566
-7.99632134 10.53440531 -0.10067646
0.00001510 -0.00148025 -0.00109296
-0.00916486 0.00292830 0.00659058
4.60065504 12.78679652 2.18173086
-0.00009935 0.00061039 0.00005252
0.01146139 0.01173499 0.00781636
7.34868853 12.10283694 2.56073988
-0.00008041 0.00119285 0.00045611
0.04263743 -0.03523032 -0.01240329
20.74058964 -12.88402507 -10.36536643
0.00047855 -0.00024919 0.00114211
0.00838093 0.00007519 -0.01097575
22.13909557 -13.65951988 -12.81723663
0.00068157 -0.00056653 -0.00049051
0.01095012 -0.00233951 -0.00194654
18.01518332 -5.99905165 2.19368993
-0.00069616 0.00012633 0.00034367
0.01225590 -0.00577914 -0.02865688
16.16168725 -8.13991811 3.26203344
0.00047550 -0.00041521 -0.00048375
0.01135218 0.03040194 -0.00891878
14.13052207 8.24376153 10.92490548
0.00029429 -0.00017339 0.00029963
0.01767977 -0.01081973 -0.02128957
16.58064630 6.61849859 11.02225786
0.00009699 -0.00018986 -0.00067049
-0.00132799 0.00258654 0.00168545
2.33342545 -13.09603795 14.90237515
-0.00167809 -0.00057982 0.00020364
0.00028897 -0.02092953 0.00873934
3.58769047 -12.26378405 17.17427463
-0.00022913 -0.00049707 0.00048686
0.01236518 0.00555081 0.01815789
-3.46395109 -2.67615348 -10.13862199
-0.00025330 0.00024470 0.00032268
0.00471475 -0.00902736 0.00689536
-1.89186858 -0.50231179 -11.61974100
0.00058412 -0.00048875 -0.00055616
-0.01802863 -0.01445820 0.00779976
14.97194099 -7.62688567 -11.22677733
0.00094281 -0.00024365 0.00061255
-0.00567717 0.00482133 -0.04605706
16.86124016 -6.99159284 -8.95961678
0.00072727 0.00020891 -0.00073590
0.00438850 0.00315371 -0.00699617
7.29961613 -2.80754506 5.64136181
0.00103602 -0.00043650 -0.00073011
0.01810827 -0.01546893 0.02641382
10.01645818 -3.38668779 4.85151310
0.00092851 -0.00124219 -0.00053696
0.00717807 -0.00417196 0.00824660
-21.45118077 1.22116057 22.73591905
0.00100519 -0.00052541 0.00061503
0.00102055 0.00106847 -0.00378007
-22.87239570 0.61680121 25.22502589
-0.00025560 0.00047980 -0.00062671
0.00236966 0.00298812 -0.00480175
25.59428335 -2.76576910 -7.82063957
0.00023897 0.00065843 -0.00077009
0.00356874 -0.00492120 -0.00893318
23.66930286 -0.56844262 -7.11296699
0.00000540 -0.00019481 -0.00030265
-0.00283481 -0.00163522 -0.01049983
11.34739552 -12.93550942 -8.63661944
-0.00009588 -0.00067010 -0.00013168
-0.01402127 -0.00707767 0.01644318
12.57254424 -10.36680454 -9.41082352
0.00064551 0.00057059 0.00004706
0.01225416 0.00975259 0.00196342
-5.43084124 -10.42640712 18.39202953
-0.00069505 0.00020036 -0.00047463
0.00116282 0.00220055 -0.02851877
-6.12140832 -9.88350488 15.46341362
-0.00057486 -0.00021663 -0.00013650
-0.03302382 0.01056912 -0.02135470
9.02933271 1.14378062 -31.77944642
0.00104733 0.00023818 -0.00023860
-0.00863764 0.00264537 0.00660220
6.48965663 2.57772581 -31.36396309
0.00064991 0.00041048 -0.00065141
0.00255578 -0.00014316 -0.00654136
11.40449437 18.17217162 13.37374152
-0.00024100 -0.00089129 -0.00012847
0.00605905 0.01247973 -0.02012759
11.95286431 15.62887861 14.64940801
-0.00069690 -0.00031558 0.00010753
-0.00185956 0.01186243 -0.00392952
30.71905454 5.45084012 -7.99544450
0.00041580 0.00009369 0.00056916
0.00186529 0.00413094 -0.00126367
28.99682584 7.62680601 -7.33273208
0.00001718 -0.00112550 -0.00050732
-0.07022648 0.01698645 0.01081613
-8.42077715 4.86633908 5.64261601
0.00000227 -0.00011881 0.00000370
0.01004506 0.00775766 0.00542871
-10.74647146 10.14555131 3.41393348
0.00004501 0.00000415 -0.00012186
-0.00134306 -0.00789180 0.00334614
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08405821
0.32340732
430.92404487
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3946484075 (a.u.)
total exchange computation time: 2.8289849758 s
-154.3343158189
-931.40488702
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3937781768 (a.u.)
total exchange computation time: 2.8290169239 s
-154.3419279711
Anderson extrapolation: theta=1.3438576395 (1.3438576395)
-931.40513942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3925019057 (a.u.)
total exchange computation time: 2.8289217949 s
-154.3528865174
Anderson extrapolation: theta=0.0502815025 (0.0502815025)
-931.40528816
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3923537143 (a.u.)
total exchange computation time: 2.8305659294 s
-154.3540806014
Anderson extrapolation: theta=1.8886547064 (1.8886547064)
-931.40529338
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3920480703 (a.u.)
total exchange computation time: 2.8313539028 s
-154.3565114505
Anderson extrapolation: theta=0.2159610118 (0.2159610118)
-931.40529852
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3919742927 (a.u.)
total exchange computation time: 2.8317079544 s
-154.3570687508
Anderson extrapolation: theta=1.8703985589 (1.8703985589)
-931.40529944
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3918566530 (a.u.)
total exchange computation time: 2.8295848370 s
-154.3579216956
Anderson extrapolation: theta=0.2857785926 (0.2857785926)
-931.40530050
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3918446728 (a.u.)
total exchange computation time: 2.8340530396 s
-154.3579732168
Anderson extrapolation: theta=1.2902481952 (1.2902481952)
-931.40530074
-211.648978 121.325022 -35.801689
566.470854 1066.482072 -418.640168
354.821876 1187.807094 -454.441856
1320.341492
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3918464291 (a.u.)
total exchange computation time: 2.8302009106 s
679.23956643
-1084.49586737
89.67663662
-388.56823476
-174.86555536
78.69163417
551.60419304
0.00000000
-931.40530088
5.55217211 -31.23426202 -3.77032967
-0.00027914 -0.00008852 -0.00003335
0.02265652 -0.00856121 -0.02107438
-11.84350505 -1.01815455 -11.82148497
-0.00014344 0.00006391 0.00002107
0.00994935 0.03298915 -0.02707829
-37.93366793 2.32566048 3.33777809
0.00030547 -0.00008995 -0.00012162
-0.01149032 0.00318437 -0.00390598
-9.74842695 -2.76178284 2.49317567
-0.00061552 0.00015800 -0.00014998
0.04475733 -0.00969160 0.03428123
0.75498976 -0.24468620 8.95961897
0.00024573 -0.00019728 -0.00023875
-0.00736459 -0.00674089 0.00075517
-32.40789741 2.75552425 1.79639060
-0.00011100 -0.00001338 -0.00003832
0.02744381 -0.02846789 0.01809407
13.97901928 13.70449500 -14.39152224
0.00030031 0.00040180 -0.00019689
0.05793202 -0.00335513 -0.00556847
-4.07974549 7.09257922 4.06272550
-0.00043579 -0.00008201 -0.00027497
0.00522687 -0.01874741 -0.03025080
5.79880521 16.70504160 -8.46062712
0.00017808 0.00000140 0.00023782
-0.00267748 0.00658994 0.03311959
6.80744197 7.22269842 -21.03797599
-0.00018835 0.00025818 0.00010406
0.00972440 -0.00836654 0.00589231
23.41698072 17.11052442 -2.21965689
-0.00035847 0.00000881 0.00032858
0.01691672 -0.00072686 -0.00812327
1.38701025 12.90114097 -20.97557603
0.00011063 0.00010810 0.00029188
-0.00359480 -0.00283694 -0.01119466
10.41791470 -3.56356674 -1.68596231
0.00013336 0.00020947 0.00012858
-0.03844011 -0.04659917 -0.01748920
-17.87373454 -2.67889116 4.70029437
0.00020815 -0.00010313 0.00009990
-0.01188872 -0.00265469 0.01138211
-15.28731929 0.13487898 18.60050687
0.00000588 0.00000035 -0.00014064
0.00901880 -0.01391317 -0.00815455
2.74799521 2.76050150 -2.90814000
-0.00019439 0.00001683 0.00005366
-0.02456718 0.00870069 0.00909799
23.42453345 -7.85876401 -9.63584503
0.00001434 -0.00029542 -0.00025398
-0.01503366 0.02574204 -0.00922409
1.44871536 -7.94275951 6.70944350
0.00015781 0.00024800 0.00010128
-0.01253728 0.00051119 -0.02927680
-3.72554168 -1.12489172 -18.13065213
0.00029973 0.00040385 0.00032080
0.00441704 0.02345451 -0.00051815
3.19637059 4.27477789 -10.65827702
-0.00026188 0.00000281 0.00020153
0.03509452 -0.01819996 0.03337518
-2.63613710 16.83542521 13.93171251
0.00017394 -0.00013740 0.00008209
-0.01725511 0.01683813 -0.01178847
-2.27469607 2.08522803 -7.04776828
-0.00001061 0.00020352 0.00015860
0.01572045 -0.01251971 0.01451511
-6.70307756 -2.03256345 -4.44807829
-0.00013935 0.00010542 -0.00015479
0.02360966 -0.00615412 0.00172098
0.35851858 28.24785997 7.31131078
0.00015920 0.00014436 0.00033312
0.00527744 -0.00006393 -0.00040551
10.05122808 -9.13402348 -1.46532415
0.00013623 -0.00005975 -0.00007636
-0.00312278 0.01698887 -0.04210575
-6.84797050 0.42292346 7.58215264
0.00000049 0.00026551 0.00016066
0.00263295 -0.00023766 0.04789789
18.69644825 11.71623786 6.34373853
0.00028495 -0.00014082 0.00006940
-0.00073496 -0.02201080 0.01946688
-3.29886603 -3.90965411 -23.28028173
-0.00025862 0.00028928 -0.00001618
0.00447598 -0.00546544 0.00146476
-13.63309444 8.31550747 8.34717782
0.00003250 0.00013789 0.00024702
-0.01054478 -0.01091175 0.00469768
-12.12051362 7.45566487 -2.69350685
-0.00036276 -0.00026587 -0.00037158
0.02396106 0.03402195 0.01381731
-3.33563958 -16.30280044 20.46325784
-0.00044896 -0.00032566 0.00013414
-0.02854719 -0.00479174 0.00975838
-3.33376052 6.96558108 -7.89862533
-0.00048734 0.00021399 0.00020992
0.00971299 -0.04157034 -0.04859520
-20.69117316 29.58312392 1.34019307
-0.00000633 0.00023932 -0.00009856
0.03417520 -0.00242956 0.00839407
9.82027535 3.19424937 7.49503872
0.00027329 -0.00017856 -0.00000540
0.01976581 -0.05489334 -0.02706584
6.37838174 14.51383357 -13.09077982
0.00005865 0.00018543 0.00030068
0.01227639 0.06749059 -0.03448695
14.12933034 3.78547981 -2.83106072
0.00001581 -0.00018075 0.00021363
0.00387925 -0.02714471 0.04709272
-6.29176277 11.06145339 -0.42382109
0.00007449 -0.00003720 0.00020057
0.02472789 -0.02505265 0.00229311
6.15897254 13.20908475 3.14699115
0.00025975 0.00017552 -0.00012372
-0.06419071 0.03774794 0.01404875
21.90565042 -12.23041154 -11.67447731
-0.00000677 0.00029351 -0.00029819
-0.02356107 -0.00753753 0.01901438
16.71887018 -6.33957484 3.35849815
0.00019873 0.00010388 0.00003548
-0.03107058 -0.02501378 0.03269318
15.30841997 7.19426677 9.83642053
0.00015350 -0.00021479 -0.00030779
-0.01927420 0.00897528 0.01284965
3.03775530 -13.82768539 16.45761798
-0.00009819 0.00030985 -0.00033588
-0.00883643 0.00680813 -0.02951475
-3.56617707 -0.97385079 -10.78822074
-0.00010549 -0.00049285 -0.00013884
0.01591779 0.03201902 -0.01972799
15.36458354 -7.90343852 -9.53605037
-0.00007856 0.00011156 -0.00003351
-0.00244321 -0.00741505 0.05992840
8.96045700 -3.48480700 6.38423548
0.00033769 -0.00040238 0.00010937
-0.01858363 0.01475566 -0.03407150
-21.48646844 1.59936826 24.50493291
-0.00032206 -0.00010219 -0.00017207
0.00097185 0.00114030 0.01198388
24.90666379 -1.73052892 -6.49365183
-0.00000621 -0.00003771 0.00002506
0.00200420 0.00302448 0.01341330
11.72059955 -11.83809939 -10.00206999
0.00024851 -0.00008360 -0.00007921
0.00387435 -0.00113597 -0.01764650
-4.83405558 -10.28192521 16.58722708
0.00031959 -0.00021007 -0.00005257
0.02919006 -0.01877850 0.05057374
8.15715130 2.34919031 -30.64056136
0.00011382 0.00033379 -0.00056019
0.00259347 -0.01154039 -0.00329463
10.89032150 17.12853229 14.73067923
0.00025244 -0.00039362 -0.00027994
-0.00659541 -0.01701780 0.02249229
30.65093886 7.27977496 -7.61903335
-0.00000917 -0.00000014 0.00026264
0.07293734 -0.02172779 -0.00369207
5.79757084 -30.13226331 -5.22802441
0.00004290 -0.00050091 0.00065768
-0.00755473 -0.00005114 0.00256482
3.96333319 -30.89723349 -3.04464868
-0.00004761 -0.00006828 0.00059057
-0.02209403 0.01504265 0.01236881
-12.47010490 -1.87189102 -13.43612417
-0.00040226 0.00085220 -0.00006184
0.00135500 -0.00821838 0.01611366
-11.63477347 0.73206077 -12.60599772
0.00001827 0.00017016 0.00060784
-0.00645168 -0.02404435 0.01509228
-38.04970776 3.82972621 2.27857731
-0.00084701 0.00131499 0.00004454
0.00515088 0.00506333 0.00049516
-39.70689976 1.80137079 3.33359951
-0.00011329 0.00099357 -0.00023682
0.00552603 -0.00696893 0.00376573
-9.76037882 -3.34254274 0.71851397
0.00001296 -0.00059461 0.00018867
-0.00792977 0.00475827 0.01084984
-8.22539097 -3.56473278 3.40428384
-0.00045383 0.00020157 0.00078673
-0.03571324 0.01385412 -0.02995340
0.10011218 -0.51037861 7.27113105
0.00042012 -0.00066079 0.00110316
0.00808765 0.00451235 0.00085869
1.95992531 1.12105827 8.94702161
0.00007903 0.00040504 0.00037045
-0.00077916 -0.00036773 -0.00344452
-32.20592011 0.99530987 2.51784330
-0.00036852 -0.00035866 -0.00025548
-0.00195744 0.01577067 -0.02002032
-34.12140031 3.15182368 2.10895391
0.00064131 0.00086830 -0.00096156
-0.02174560 0.00268378 -0.00120742
12.81851492 12.77261479 -15.32316811
-0.00040694 -0.00037748 -0.00061883
-0.04267637 -0.01616344 -0.01750453
15.52436670 12.82974589 -15.14552657
-0.00013942 -0.00059630 0.00083981
-0.01513259 0.02194069 0.02639360
-3.97053480 8.82776256 4.76553520
-0.00001786 -0.00002610 -0.00029946
0.00438032 -0.00298856 -0.01892822
-3.46132507 6.82356407 2.22656897
-0.00076301 0.00027431 0.00002112
-0.00990282 0.01603656 0.05084478
6.00867662 16.05902909 -10.10976590
0.00061700 -0.00084588 0.00067913
-0.00214992 -0.01275630 -0.03602366
7.56800405 16.89774569 -7.98361951
0.00002604 -0.00000096 0.00019199
0.00665511 0.00510515 0.00660866
7.89674054 7.16977703 -22.58701188
-0.00029965 -0.00001213 -0.00086785
-0.00724324 0.00374531 0.00816566
7.96814335 7.74181411 -19.68265348
-0.00048229 0.00109703 0.00023688
-0.00339715 0.00258897 -0.01279943
21.74659364 17.88783697 -2.38459325
-0.00004578 -0.00038835 -0.00044751
0.00168846 -0.00414337 0.00237598
24.58312138 17.98815277 -3.34805088
0.00026913 -0.00042579 -0.00023740
-0.01187579 -0.00139461 0.00401768
1.26500384 11.13602885 -21.50893016
-0.00007966 0.00080252 0.00050518
-0.00703231 0.00199548 0.00211043
0.65926129 14.00325628 -22.28170945
-0.00034117 -0.00086562 -0.00016803
0.00964342 -0.00643261 0.00777595
9.75422193 -5.44483423 -1.60274259
-0.00020805 0.00013925 -0.00021120
0.02356821 0.05570467 -0.00344177
9.09377873 -2.51025504 -2.52955532
0.00137492 -0.00054845 -0.00164495
0.01313381 -0.01756938 0.01158844
-18.93439867 -4.11748177 5.26517982
0.00043010 0.00010741 0.00030500
0.01633130 0.00914166 -0.01348182
-17.07471411 -3.02069370 3.10473903
-0.00004544 0.00006217 0.00048009
-0.01237030 -0.01063795 -0.00599728
-15.43360350 0.18565964 16.75906227
0.00001522 0.00046628 0.00016175
0.00510585 0.00063694 0.00825837
-13.78846823 1.09583642 18.94872889
-0.00012330 -0.00065898 -0.00020144
0.00036994 0.00715738 0.00044127
3.14325496 3.64529051 -4.43052967
-0.00029184 0.00082140 0.00080511
0.00193661 0.00742661 -0.00263563
3.36335620 1.08374696 -3.17173294
-0.00097984 0.00026761 0.00045798
0.01166103 -0.00607253 -0.00105472
22.88573535 -9.45759302 -10.29890167
0.00065205 0.00015066 -0.00001985
0.00581307 -0.01621125 -0.00371278
24.88495033 -7.85670934 -8.61712801
0.00037547 -0.00004567 0.00037498
0.01793627 -0.00675499 0.00739347
2.35048281 -8.82913540 5.37671783
0.00068885 -0.00124611 0.00086117
-0.00556801 0.00527523 0.00267607
2.59611482 -7.94310546 8.06817063
-0.00046600 -0.00133752 0.00078779
0.01752820 0.00335839 0.02314232
-3.85973427 -2.82290647 -17.60872203
0.00109960 -0.00026792 -0.00062409
0.00106954 -0.02802920 0.00356397
-4.96383821 -0.35096653 -16.95767078
-0.00054969 0.00011854 -0.00014368
0.00318298 0.00066611 -0.00498035
2.22733485 4.70306642 -12.07401962
-0.00043567 -0.00021019 0.00071975
-0.02744497 0.01291918 -0.02211115
2.15658760 3.72862835 -9.26716629
-0.00070810 0.00095925 0.00015965
-0.01098315 0.00560123 -0.00867916
-0.99776035 16.34488118 13.22325126
-0.00061724 0.00066012 -0.00039984
0.00566258 -0.01394554 0.00790657
-2.49875912 17.14184093 15.70356674
-0.00021261 0.00035534 0.00102794
0.00438329 -0.00195314 0.00628031
-1.66253511 1.09510933 -5.58933033
-0.00019558 0.00021477 0.00034666
-0.01449789 0.00968214 -0.02076760
-2.81142764 0.90886970 -8.43361791
-0.00032690 -0.00089365 -0.00059718
-0.00298039 0.00055930 0.01448647
-8.11287190 -2.99954296 -4.96786770
-0.00081880 -0.00118366 0.00048380
-0.01997803 -0.01356639 -0.00387749
-7.37466379 -0.42985765 -4.01966699
0.00037059 0.00007838 0.00040885
-0.00653614 0.02113176 0.00382801
1.38775273 28.37244357 5.79256694
0.00016631 -0.00044567 -0.00110197
-0.00718955 0.00152700 0.00104555
-1.36120046 28.45796225 6.69948103
-0.00141518 -0.00010630 -0.00044513
-0.00244957 -0.00578439 -0.01049131
8.33826363 -9.09888830 -2.25092014
0.00000132 -0.00015197 0.00000543
0.01093935 -0.00883112 0.01649189
10.09147536 -10.02367366 0.08541095
0.00027297 0.00023343 -0.00026074
-0.00455123 -0.00757871 0.02385559
-5.86598181 0.19466064 9.25227435
-0.00120235 0.00063718 0.00001726
-0.00264903 0.00234749 -0.03280219
-8.43926471 -0.24553463 8.23771859
-0.00024330 0.00018533 0.00045585
-0.00125100 -0.00160382 -0.01142816
19.77385953 11.24054804 7.81910141
-0.00030865 -0.00040492 0.00150165
-0.00950339 0.01153831 -0.01426696
19.48550647 13.12386640 5.54349457
-0.00007076 0.00100225 0.00047240
0.01155349 0.00889121 -0.00127994
-2.91638584 -2.51087587 -22.20935469
0.00169826 0.00122131 0.00003685
-0.00105459 0.00916126 0.01097130
-4.78779767 -3.37833501 -24.19955978
-0.00008339 -0.00111636 -0.00012470
-0.01041886 0.00314124 -0.01064589
-12.49027578 9.18934521 9.48611189
-0.00000729 -0.00012722 0.00058377
0.00242821 0.00222396 -0.00153940
-13.16543760 8.71547469 6.63468600
-0.00000785 -0.00024047 0.00035439
0.00855559 0.01116090 -0.00182808
-12.58252703 7.38895660 -4.45267802
-0.00029945 -0.00030524 -0.00044511
-0.01167601 -0.00274098 -0.01806194
-11.46355281 9.23892137 -2.51241657
-0.00010609 0.00017073 0.00017706
-0.01511585 -0.02766977 0.00002442
-4.84443037 -17.37594524 20.05185740
0.00074953 0.00041614 -0.00056480
0.01184026 0.01323389 0.00249265
-1.95467622 -17.06838277 19.62405501
-0.00075881 0.00079530 -0.00060135
0.01396389 -0.00616559 -0.00910035
-3.65059645 5.46162288 -6.92605839
0.00004291 -0.00028516 -0.00042011
0.00629481 -0.00449662 0.00031589
-3.61052337 8.36293135 -6.93123845
-0.00046150 -0.00026878 0.00020838
-0.01695239 0.05544960 0.04386519
-21.20125278 28.23326516 0.18225045
-0.00004781 -0.00046761 0.00073754
0.01315690 0.00881132 0.01311707
-18.78364705 29.41120132 1.69799186
0.00009582 0.00040018 -0.00059341
-0.04090988 0.00045691 -0.02228866
8.74368589 2.48376791 6.14378444
-0.00166291 -0.00020447 -0.00028913
-0.00064921 0.01116246 0.01154032
9.22408303 4.78331206 7.91510403
0.00019813 -0.00026237 0.00027792
-0.02429410 0.05142474 0.01569151
7.11691671 15.08140226 -14.77344706
0.00003134 0.00113999 0.00156673
-0.01236428 -0.00523316 0.03627030
6.43494471 12.79509806 -13.18684748
0.00118718 0.00104968 0.00023821
0.00446323 -0.06517833 -0.00159578
13.28683519 5.23410546 -3.48452825
-0.00031700 0.00036249 -0.00026801
-0.01150544 0.01019593 0.00222304
13.41773803 3.48337315 -1.00607956
-0.00063596 -0.00167714 0.00001873
0.00944977 0.00980340 -0.04548859
-5.30916630 9.51717723 0.03996545
0.00103038 -0.00061751 -0.00052069
-0.01221936 0.02500107 -0.01051273
-7.99637562 10.51229131 -0.11686888
-0.00001797 -0.00146733 -0.00106635
-0.00702609 0.00339403 0.00643627
4.59951607 12.79631195 2.18275815
-0.00005042 0.00065766 0.00008457
0.01248615 0.01140218 0.00787476
7.34878889 12.11965015 2.56720147
0.00010862 0.00103484 0.00039744
0.04989304 -0.04211510 -0.01631508
20.74802465 -12.88776057 -10.34857110
0.00051928 -0.00024554 0.00108809
0.01155821 0.00171121 -0.01546886
22.14965460 -13.66808952 -12.82465387
0.00072401 -0.00056776 -0.00049137
0.00982870 0.00173578 0.00152106
18.00511641 -5.99733383 2.19796689
-0.00063475 0.00010661 0.00021628
0.01780852 -0.00387344 -0.03370166
16.16916766 -8.14521458 3.25450386
0.00052237 -0.00028643 -0.00051886
0.01159106 0.03263305 -0.00826645
14.13547812 8.24082908 10.92874761
0.00036744 -0.00021863 0.00021059
0.01812789 -0.01132461 -0.02229785
16.58206039 6.61573000 11.01225223
0.00009479 -0.00018083 -0.00066113
0.00025353 0.00183365 0.00289481
2.30826297 -13.10537658 14.90569758
-0.00167589 -0.00066169 0.00023883
0.00078545 -0.01914834 0.00848350
3.58463236 -12.27106999 17.18213390
-0.00017786 -0.00046866 0.00056053
0.01273218 0.00835446 0.01790726
-3.46760605 -2.67275962 -10.13357051
-0.00023349 0.00020069 0.00035319
0.00497804 -0.01251331 0.00803809
-1.88365929 -0.51008608 -11.62784437
0.00050475 -0.00054941 -0.00052123
-0.02081975 -0.01523370 0.00929818
14.98590919 -7.63039268 -11.21900046
0.00091515 -0.00022217 0.00040833
-0.00786221 0.00569103 -0.05390699
16.87228367 -6.98836259 -8.97086974
0.00073989 0.00021783 -0.00076423
0.00178875 0.00121397 -0.00687097
7.31571136 -2.81456652 5.63121958
0.00110703 -0.00049846 -0.00062232
0.01665263 -0.01486191 0.02634888
10.03060582 -3.40544850 4.84371142
0.00095195 -0.00125904 -0.00049472
0.00429544 -0.00407761 0.01243142
-21.43607163 1.21331219 22.74502874
0.00100944 -0.00052333 0.00058919
0.00105743 -0.00004965 -0.00887029
-22.87615713 0.62408975 25.21547807
-0.00025163 0.00048780 -0.00064286
-0.00042703 0.00092767 -0.00310072
25.59797730 -2.75604340 -7.83246462
0.00025241 0.00064032 -0.00080213
0.00300877 -0.00394714 -0.00675383
23.66929703 -0.57141492 -7.11782846
-0.00000646 -0.00020066 -0.00034448
-0.00297158 -0.00122887 -0.00997527
11.34552766 -12.94577773 -8.63809082
-0.00015121 -0.00069339 -0.00006945
-0.01306148 -0.00432455 0.01402081
12.58260247 -10.35794683 -9.41005739
0.00068930 0.00059910 0.00005166
0.00917798 0.00420156 0.00028637
-5.44123128 -10.42333436 18.38403624
-0.00068845 0.00020850 -0.00058823
0.00206351 0.00178575 -0.02709280
-6.13104324 -9.88643045 15.46071173
-0.00069739 -0.00017677 -0.00021535
-0.02695464 0.00894321 -0.01724376
9.04477791 1.14743443 -31.78282314
0.00100866 0.00025124 -0.00020956
-0.01028774 0.00374503 0.00761479
6.49948366 2.58387861 -31.37393470
0.00065460 0.00040999 -0.00068114
-0.00026379 -0.00009729 -0.00801179
11.40106497 18.15918473 13.37119765
-0.00021321 -0.00083561 -0.00021760
0.00754692 0.01477525 -0.02349816
11.94235377 15.62450834 14.65090058
-0.00069903 -0.00027411 0.00009067
0.00082054 0.00843911 -0.00432546
30.72534873 5.45237204 -7.98694575
0.00042452 0.00010821 0.00056300
0.00240241 0.00297859 -0.00175413
28.99493154 7.61044407 -7.34001044
-0.00027584 -0.00105438 -0.00046280
-0.07320912 0.01782642 0.01097877
-8.42071614 4.86457772 5.64268604
0.00000584 -0.00011603 0.00000562
0.00990221 0.00777009 0.00530548
-10.74579864 10.14559980 3.41211135
0.00004468 0.00000231 -0.00012108
-0.00148161 -0.00791365 0.00343539
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08403733
0.32126355
428.06757280
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3894063609 (a.u.)
total exchange computation time: 2.7599978447 s
-154.3060340059
-931.40331770
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3885494269 (a.u.)
total exchange computation time: 2.7601380348 s
-154.3135658619
Anderson extrapolation: theta=1.3512690135 (1.3512690135)
-931.40358679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3872973444 (a.u.)
total exchange computation time: 2.7590470314 s
-154.3243899785
Anderson extrapolation: theta=0.0545635575 (0.0545635575)
-931.40374820
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3871561739 (a.u.)
total exchange computation time: 2.7599031925 s
-154.3255554739
Anderson extrapolation: theta=2.0456722296 (2.0000000000)
-931.40375494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3868570652 (a.u.)
total exchange computation time: 2.7600078583 s
-154.3279988630
Anderson extrapolation: theta=0.2653909856 (0.2653909856)
-931.40376269
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3867798060 (a.u.)
total exchange computation time: 2.7590301037 s
-154.3286059365
Anderson extrapolation: theta=1.7160987131 (1.7160987131)
-931.40376439
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3866748639 (a.u.)
total exchange computation time: 2.7595231533 s
-154.3293983202
Anderson extrapolation: theta=0.3249483030 (0.3249483030)
-931.40376632
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3866685544 (a.u.)
total exchange computation time: 2.7588889599 s
-154.3294121143
Anderson extrapolation: theta=1.1670077434 (1.1670077434)
-931.40376680
-211.633527 121.320387 -35.833417
566.471278 1066.469961 -418.623617
354.837751 1187.790348 -454.457034
1320.335917
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3866818240 (a.u.)
total exchange computation time: 2.7601130009 s
679.16679971
-1084.33265036
89.67959292
-388.67860734
-174.85222020
78.59984638
551.60419304
0.00000000
-931.40376710
5.54807237 -31.23562289 -3.77091115
-0.00026784 -0.00009381 -0.00004286
0.02129838 -0.01201267 -0.01591967
-11.84561833 -1.01706867 -11.82127330
-0.00013824 0.00008082 0.00000747
0.01027987 0.03278092 -0.02584450
-37.92913014 2.32432350 3.33593879
0.00029899 -0.00008662 -0.00012478
-0.01372675 0.00978794 -0.00840881
-9.75748714 -2.75945024 2.49105819
-0.00059207 0.00015278 -0.00013177
0.04644824 -0.01061853 0.03651737
0.75864734 -0.24767134 8.95604060
0.00024315 -0.00019995 -0.00023582
-0.00268083 -0.00366281 0.01064115
-32.40945661 2.75521380 1.79588566
-0.00009533 -0.00002855 -0.00002929
0.03350109 -0.03054429 0.01698886
13.98374740 13.71050905 -14.39449700
0.00032768 0.00039864 -0.00020095
0.04849388 -0.00894530 -0.01022628
-4.08626215 7.09127679 4.05848425
-0.00043321 -0.00009139 -0.00028988
0.00480841 -0.01773062 -0.02773422
5.80146613 16.70508798 -8.45693203
0.00017654 0.00000473 0.00025467
-0.00330787 0.00636973 0.03238888
6.80465419 7.22653883 -21.03639237
-0.00018296 0.00025383 0.00010640
0.01123371 -0.00855158 0.00319790
23.41166894 17.11065369 -2.21475946
-0.00034853 0.00000853 0.00032391
0.02174859 -0.00032445 -0.01003270
1.38865577 12.90275146 -20.97124095
0.00010881 0.00010766 0.00028630
-0.00345797 0.00114574 -0.01052195
10.41976688 -3.56060441 -1.68410101
0.00011402 0.00018489 0.00011970
-0.03677049 -0.04898338 -0.01707371
-17.87065813 -2.68044833 4.70183678
0.00020185 -0.00010398 0.00010648
-0.01262973 -0.00064061 0.01419537
-15.28719630 0.13483054 18.59836587
0.00000984 -0.00000725 -0.00014460
0.00636572 -0.01562870 -0.00724535
2.74498455 2.76078751 -2.90730004
-0.00020759 0.00002218 0.00005915
-0.02674706 0.01209424 0.01224314
23.42469054 -7.86309599 -9.63969038
0.00000833 -0.00028101 -0.00025733
-0.00832928 0.03030018 -0.00376997
1.45103423 -7.93903756 6.71084976
0.00015227 0.00024782 0.00008602
-0.00901919 -0.00119406 -0.03005904
-3.72102866 -1.11874351 -18.12584217
0.00030181 0.00041527 0.00032075
0.00364554 0.02095404 0.00034034
3.19257776 4.27474986 -10.65512532
-0.00024363 -0.00000669 0.00021910
0.03587921 -0.01873330 0.03495823
-2.63359455 16.83342909 13.93289839
0.00016391 -0.00012808 0.00007841
-0.02173370 0.01940722 -0.00252281
-2.27479452 2.08823247 -7.04533324
-0.00000305 0.00019594 0.00016476
0.01365929 -0.01693629 0.00941923
-6.70507679 -2.03100584 -4.45039349
-0.00012884 0.00010066 -0.00015469
0.01729146 -0.01235905 -0.00133219
0.36092690 28.25002513 7.31630607
0.00016014 0.00014472 0.00033022
-0.00160856 0.00146730 -0.01087678
10.05325952 -9.13485418 -1.46663203
0.00013450 -0.00005078 -0.00009857
-0.00361623 0.01789740 -0.04423359
-6.84795305 0.42690515 7.58474727
0.00000065 0.00026525 0.00018491
-0.00200515 -0.00077065 0.04640733
18.70071962 11.71404060 6.34485467
0.00028547 -0.00015161 0.00007977
0.00277155 -0.01993113 0.02084258
-3.30272800 -3.90533598 -23.28051876
-0.00025476 0.00028766 -0.00001354
0.01051961 -0.00084569 0.00881114
-13.63264758 8.31753377 8.35090127
0.00002698 0.00013218 0.00024987
-0.01094654 -0.01129981 0.00636643
-12.12586254 7.45180812 -2.69902730
-0.00035026 -0.00024784 -0.00036434
0.02462027 0.03608383 0.01436880
-3.34248411 -16.30770379 20.46530757
-0.00046264 -0.00032685 0.00013979
-0.02466085 0.00016172 0.01220506
-3.34103322 6.96863065 -7.89566393
-0.00048218 0.00019216 0.00018441
0.01036048 -0.04335152 -0.05062170
-20.69113626 29.58670441 1.33874703
0.00001117 0.00023798 -0.00009427
0.03387397 -0.00280425 0.00830220
9.82445102 3.19135916 7.49485332
0.00028199 -0.00020712 -0.00002068
0.01404390 -0.05614727 -0.03234633
6.37930880 14.51687535 -13.08640272
0.00006429 0.00022172 0.00028428
0.00966237 0.07362714 -0.02928508
14.12958245 3.78266393 -2.82767465
0.00001697 -0.00019364 0.00023711
0.00062011 -0.02300107 0.04423044
-6.29055005 11.06079876 -0.42080373
0.00008720 -0.00005114 0.00020202
0.02468207 -0.02917063 0.00334328
6.16262119 13.21186314 3.14518953
0.00022525 0.00019630 -0.00011573
-0.06995640 0.04306329 0.01700818
21.90545797 -12.22603799 -11.67887684
-0.00001935 0.00028817 -0.00028832
-0.02535892 -0.01321010 0.01935694
16.72173135 -6.33811311 3.35915638
0.00018160 0.00009024 0.00005321
-0.03556568 -0.02805111 0.03625361
15.31064820 7.19107954 9.83185321
0.00014316 -0.00020992 -0.00030134
-0.02096596 0.00995161 0.01223264
3.03624834 -13.82301133 16.45246595
-0.00010283 0.00031224 -0.00035081
-0.00919184 0.00248667 -0.02856342
-3.56769805 -0.98112008 -10.79037938
-0.00009662 -0.00047534 -0.00014942
0.01858410 0.03606665 -0.02141172
15.36339573 -7.90179374 -9.53632179
-0.00007874 0.00010811 -0.00000120
0.00172152 -0.00599562 0.06568514
8.96545066 -3.49078578 6.38574461
0.00032930 -0.00039501 0.00009099
-0.01403050 0.01388631 -0.03740722
-21.49129564 1.59783987 24.50239814
-0.00032082 -0.00010072 -0.00016510
0.00386266 0.00455447 0.01511414
24.90657835 -1.73108287 -6.49322423
-0.00000503 -0.00003653 0.00003120
0.00258108 0.00157194 0.01048389
11.72434208 -11.83935778 -10.00332615
0.00025103 -0.00008357 -0.00008712
0.00593549 0.00126675 -0.01313840
-4.82914913 -10.28514872 16.58663356
0.00033267 -0.00021911 -0.00002832
0.02166418 -0.01638668 0.04375275
8.15886857 2.35415259 -30.64897690
0.00011619 0.00032758 -0.00056161
0.00664309 -0.01259814 -0.00224803
10.89408267 17.12256233 14.72656691
0.00024804 -0.00040182 -0.00026757
-0.01051227 -0.01485162 0.02559000
30.65108263 7.27968898 -7.61510805
0.00002796 -0.00001097 0.00026095
0.07146978 -0.02037150 -0.00287795
5.79798277 -30.13977856 -5.21808066
0.00001267 -0.00049413 0.00065957
-0.00724277 0.00337022 -0.00164030
3.96194198 -30.89779676 -3.03541118
-0.00013553 -0.00000684 0.00063961
-0.02094287 0.01503567 0.01164067
-12.47609729 -1.85935992 -13.43655804
-0.00039692 0.00081692 0.00000262
0.00125738 -0.00904668 0.01544215
-11.63469712 0.73387631 -12.59641761
-0.00000783 0.00007379 0.00066774
-0.00632574 -0.02312745 0.01422557
-38.06225509 3.84960623 2.27926057
-0.00082178 0.00132413 0.00005495
0.00720191 -0.00058806 0.00460125
-39.70842977 1.81606086 3.33016254
-0.00008969 0.00096309 -0.00022010
0.00602738 -0.00795545 0.00442182
-9.76042740 -3.35131614 0.72167650
-0.00001925 -0.00057493 0.00023187
-0.00783747 0.00487782 0.01029604
-8.23329277 -3.56128467 3.41516692
-0.00060238 0.00025975 0.00066183
-0.03700213 0.01462402 -0.03118616
0.10666174 -0.52015215 7.28770472
0.00044700 -0.00064427 0.00108766
0.00507391 0.00357334 -0.00844261
1.96108686 1.12712253 8.95247285
0.00007181 0.00039915 0.00035545
-0.00275417 -0.00251493 -0.00389810
-32.21150782 0.99041323 2.51339758
-0.00037809 -0.00029204 -0.00033740
-0.00273121 0.01684005 -0.02007865
-34.11244694 3.16493037 2.09449348
0.00054156 0.00088116 -0.00096417
-0.02708603 0.00361475 -0.00007053
12.81110301 12.76645724 -15.33298699
-0.00056531 -0.00043131 -0.00067857
-0.03484442 -0.01018687 -0.01173639
15.52181162 12.82147379 -15.13212064
-0.00019787 -0.00050770 0.00094459
-0.01347903 0.02142642 0.02489590
-3.97066853 8.82727950 4.76046322
-0.00000035 -0.00003855 -0.00037625
0.00419292 -0.00310584 -0.01865688
-3.47307365 6.82817014 2.22844374
-0.00080159 0.00033813 0.00022425
-0.00898388 0.01520208 0.04859147
6.01786570 16.04594996 -10.10068289
0.00060758 -0.00089794 0.00053195
-0.00245820 -0.01272466 -0.03601836
7.56859863 16.89788777 -7.98053715
0.00005472 0.00002042 0.00022012
0.00738444 0.00535913 0.00716342
7.89202385 7.16970984 -22.59977944
-0.00033213 0.00000382 -0.00082701
-0.00865853 0.00406297 0.01182915
7.96080490 7.75834895 -19.67949247
-0.00049613 0.00110675 0.00018227
-0.00337610 0.00216612 -0.01393323
21.74595875 17.88188478 -2.39123307
-0.00004329 -0.00040289 -0.00043837
-0.00047336 -0.00297332 0.00209637
24.58679439 17.98172311 -3.35148874
0.00021544 -0.00043455 -0.00021655
-0.01440470 -0.00289339 0.00619005
1.26359341 11.14812777 -21.50128780
-0.00010841 0.00080014 0.00051200
-0.00703834 -0.00316024 0.00123058
0.65443925 13.99007484 -22.28399163
-0.00030213 -0.00088917 -0.00013608
0.00946486 -0.00509229 0.00786216
9.75182343 -5.44103851 -1.60601611
-0.00011092 0.00036693 -0.00022483
0.02397721 0.05574768 -0.00322910
9.11480504 -2.51902024 -2.55387444
0.00142388 -0.00061600 -0.00159923
0.01082867 -0.01549305 0.01079011
-18.92744673 -4.11559056 5.26934175
0.00049490 0.00014192 0.00025076
0.01538838 0.00775140 -0.01307305
-17.07577473 -3.02008709 3.11175660
-0.00009276 0.00001728 0.00044897
-0.01079196 -0.01133757 -0.00923468
-15.43321881 0.19267336 16.76174158
0.00003488 0.00046872 0.00019109
0.00451790 0.00055671 0.00610284
-13.79030637 1.08617105 18.94572085
-0.00011545 -0.00062575 -0.00019739
0.00347391 0.00910805 0.00154013
3.13893673 3.65783914 -4.41853376
-0.00028244 0.00085199 0.00079075
0.00266494 0.00754555 -0.00439570
3.34901598 1.08757508 -3.16489550
-0.00092882 0.00023549 0.00045051
0.01331122 -0.00965098 -0.00260406
22.89569428 -9.45582995 -10.29931326
0.00067273 0.00007529 -0.00003854
0.00430612 -0.02068282 -0.00543365
24.89113202 -7.85760132 -8.61127680
0.00043820 -0.00007302 0.00039786
0.01277158 -0.00663292 0.00380908
2.36064491 -8.84766539 5.38971740
0.00066228 -0.00122089 0.00087561
-0.00743785 0.00706792 0.00439122
2.58966190 -7.96306541 8.08069661
-0.00039775 -0.00132330 0.00088049
0.01588085 0.00360674 0.02223776
-3.84320757 -2.82778422 -17.61797419
0.00110346 -0.00037471 -0.00061063
0.00082054 -0.02424241 0.00302803
-4.97198604 -0.34916805 -16.95997864
-0.00053450 0.00011850 -0.00016445
0.00425301 -0.00068445 -0.00518367
2.21995886 4.70030939 -12.06390090
-0.00054981 -0.00015543 0.00062404
-0.02842900 0.01388862 -0.02473911
2.14562961 3.74318871 -9.26503755
-0.00075242 0.00098117 0.00012629
-0.01071607 0.00512990 -0.00764704
-1.00684550 16.35435570 13.21749587
-0.00058527 0.00060097 -0.00036934
0.00998736 -0.01501259 0.00702389
-2.50181388 17.14711112 15.71917823
-0.00019466 0.00034403 0.00103654
0.00439971 -0.00358082 -0.00206925
-1.66591313 1.09862753 -5.58476685
-0.00025459 0.00025443 0.00026177
-0.01438752 0.00973233 -0.02078732
-2.81642242 0.89548204 -8.44213171
-0.00033542 -0.00088287 -0.00052886
-0.00119358 0.00471789 0.01895749
-8.12576604 -3.01771365 -4.96072948
-0.00088588 -0.00122631 0.00047397
-0.01286108 -0.00730851 -0.00093336
-7.36930530 -0.42803435 -4.01341700
0.00034210 0.00016437 0.00042415
-0.00740538 0.02095739 0.00366230
1.39002707 28.36580530 5.77606945
0.00012807 -0.00044001 -0.00108417
-0.01153073 0.00124246 0.00766729
-1.38250325 28.45619043 6.69248253
-0.00140282 -0.00013211 -0.00048022
0.00850309 -0.00684872 -0.00668499
8.33861858 -9.10143849 -2.25033337
0.00004657 -0.00018799 0.00007297
0.01121234 -0.00879827 0.01657191
10.09543042 -10.02040439 0.08223090
0.00025454 0.00020034 -0.00015926
-0.00446877 -0.00862222 0.02581694
-5.88409822 0.20429034 9.25152803
-0.00120731 0.00064634 -0.00011150
0.00021969 0.00213443 -0.03022323
-8.44295250 -0.24280377 8.24420610
-0.00024552 0.00018038 0.00040629
0.00016316 -0.00082224 -0.01283165
19.76893863 11.23482780 7.84118892
-0.00035094 -0.00035474 0.00143523
-0.01120139 0.01302610 -0.01824437
19.48479909 13.13917267 5.55054127
-0.00002713 0.00103037 0.00047284
0.00980218 0.00487313 0.00149721
-2.89094427 -2.49227543 -22.20846571
0.00168624 0.00124378 0.00006772
-0.00482834 0.00183808 0.00413904
-4.78936779 -3.39498416 -24.20175649
-0.00013069 -0.00109795 -0.00016910
-0.01273262 0.00586864 -0.01108724
-12.49031070 9.18750510 9.49482133
0.00000243 -0.00011823 0.00057617
0.00232677 0.00217390 -0.00218116
-13.16529321 8.71220964 6.63994577
0.00002826 -0.00019397 0.00034472
0.00912040 0.01160330 -0.00290361
-12.58737653 7.38429403 -4.45990808
-0.00034673 -0.00031527 -0.00051762
-0.01146957 -0.00216961 -0.01743217
-11.46560736 9.24063449 -2.50975996
-0.00017015 0.00005272 0.00017543
-0.01624347 -0.03010120 -0.00082050
-4.83282465 -17.36929762 20.04346175
0.00078511 0.00046192 -0.00055645
0.00557953 0.00917567 0.00159778
-1.96563049 -17.05664225 19.61475591
-0.00069647 0.00076867 -0.00064111
0.01655364 -0.00686585 -0.01036494
-3.64975995 5.45720773 -6.93235034
0.00006859 -0.00030371 -0.00041835
0.00627829 -0.00458406 0.00054384
-3.61796537 8.36059882 -6.92676853
-0.00053186 -0.00003857 0.00039112
-0.01748743 0.05723891 0.04558527
-21.20156683 28.22652095 0.19371545
0.00000515 -0.00043174 0.00079048
0.01277008 0.00875171 0.01279817
-18.78346330 29.41721797 1.68840770
-0.00006998 0.00040232 -0.00068336
-0.04025338 0.00059351 -0.02174169
8.71872234 2.48104289 6.13980112
-0.00165529 -0.00015331 -0.00023152
0.00438163 0.01388147 0.01666072
9.22631057 4.78095235 7.91975360
0.00010028 -0.00005502 0.00034186
-0.02360454 0.05007492 0.01561183
7.11700798 15.09834178 -14.74883469
-0.00001543 0.00112104 0.00170562
-0.01053186 -0.00404510 0.03172007
6.45288923 12.80884605 -13.18332319
0.00120731 0.00076830 0.00023054
0.00539004 -0.07255829 -0.00216216
13.28172770 5.23985532 -3.48848033
-0.00035827 0.00039256 -0.00025252
-0.00869735 0.00451939 0.00536052
13.40848812 3.45851644 -1.00719247
-0.00059675 -0.00163391 -0.00016773
0.00974387 0.01135973 -0.04578461
-5.29408509 9.50868074 0.03183298
0.00097518 -0.00050811 -0.00056552
-0.01479846 0.02854738 -0.01143048
-7.99686051 10.49038531 -0.13266685
-0.00004139 -0.00145209 -0.00104046
-0.00443861 0.00406900 0.00623421
4.59914234 12.80652618 2.18426805
0.00000189 0.00070318 0.00011627
0.01312396 0.01088358 0.00764341
7.35194701 12.13388229 2.57266317
0.00032285 0.00085287 0.00032501
0.05497585 -0.04696488 -0.01913912
20.75616801 -12.89139118 -10.33272378
0.00057187 -0.00023563 0.00101673
0.01418335 0.00313888 -0.01946293
22.16081600 -13.67655278 -12.83197788
0.00076184 -0.00055269 -0.00047856
0.00868606 0.00564407 0.00474958
17.99614091 -5.99585340 2.20017841
-0.00055269 0.00009435 0.00006999
0.02235762 -0.00212911 -0.03791074
16.17735844 -8.14851109 3.24646766
0.00056955 -0.00015049 -0.00055124
0.01150409 0.03391378 -0.00758587
14.14154517 8.23720259 10.93122318
0.00044152 -0.00026519 0.00011829
0.01813857 -0.01146423 -0.02288487
16.58349002 6.61307379 11.00242401
0.00009902 -0.00017485 -0.00064688
0.00181896 0.00109164 0.00407806
2.28314863 -13.11588873 14.90953993
-0.00167193 -0.00073595 0.00027258
0.00115265 -0.01719923 0.00803884
3.58235455 -12.27784392 17.19109064
-0.00012609 -0.00043124 0.00063201
0.01261141 0.00996452 0.01708185
-3.47095593 -2.67013266 -10.12802641
-0.00021270 0.00014344 0.00038811
0.00520220 -0.01551057 0.00905703
-1.87672596 -0.51879398 -11.63537788
0.00041513 -0.00061278 -0.00048072
-0.02305402 -0.01579034 0.01053009
14.99939554 -7.63355091 -11.21452735
0.00087964 -0.00019806 0.00017646
-0.00952338 0.00611109 -0.05959395
16.88343682 -6.98505793 -8.98254379
0.00074204 0.00021899 -0.00079178
-0.00073454 -0.00064510 -0.00661385
7.33282717 -2.82249880 5.62269217
0.00117103 -0.00055741 -0.00051564
0.01467120 -0.01399459 0.02587254
10.04501672 -3.42445911 4.83667162
0.00096437 -0.00127547 -0.00043676
0.00178495 -0.00396270 0.01593748
-21.42089768 1.20546075 22.75359479
0.00101403 -0.00052577 0.00054324
0.00119306 -0.00114607 -0.01362285
-22.87994473 0.63143515 25.20574022
-0.00025938 0.00048724 -0.00065197
-0.00336515 -0.00120214 -0.00136137
25.60185565 -2.74655961 -7.84470358
0.00026335 0.00062643 -0.00082472
0.00234402 -0.00284864 -0.00430265
23.66910907 -0.57446254 -7.12330128
-0.00001865 -0.00020506 -0.00038398
-0.00299737 -0.00092441 -0.00936416
11.34285931 -12.95631109 -8.63870291
-0.00020235 -0.00070478 -0.00001792
-0.01197371 -0.00125071 0.01120186
12.59322317 -10.34883162 -9.40927371
0.00072051 0.00060497 0.00004941
0.00610299 -0.00132763 -0.00138599
-5.45149486 -10.42015215 18.37438254
-0.00067859 0.00021486 -0.00069465
0.00276641 0.00132855 -0.02500120
-6.14233012 -9.88880793 15.45695303
-0.00079316 -0.00014403 -0.00027608
-0.01992307 0.00708113 -0.01248456
9.05959263 1.15131777 -31.78573317
0.00096355 0.00026845 -0.00017670
-0.01179490 0.00468260 0.00846975
6.50929454 2.59002545 -31.38439732
0.00064781 0.00040973 -0.00071682
-0.00305800 -0.00002908 -0.00945566
11.39809810 18.14710335 13.36721366
-0.00018006 -0.00077187 -0.00031878
0.00868004 0.01642711 -0.02603472
11.93189351 15.62065528 14.65212807
-0.00068986 -0.00024737 0.00007221
0.00366855 0.00465241 -0.00471235
30.73179015 5.45408651 -7.97855450
0.00043535 0.00011773 0.00055481
0.00290017 0.00168136 -0.00225439
28.98855053 7.59517465 -7.34661595
-0.00057296 -0.00098165 -0.00041898
-0.07223321 0.01777482 0.01046958
-8.42060196 4.86285807 5.64278455
0.00000935 -0.00011326 0.00000749
0.00973421 0.00774884 0.00518147
-10.74513097 10.14562074 3.41030117
0.00004432 0.00000048 -0.00012027
-0.00163915 -0.00790332 0.00354902
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08392606
0.31984104
426.17215015
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3830476325 (a.u.)
total exchange computation time: 2.7592220306 s
-154.2728121234
-931.40301521
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3822157588 (a.u.)
total exchange computation time: 2.7587578297 s
-154.2800203529
Anderson extrapolation: theta=1.3492125038 (1.3492125038)
-931.40329383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3809937111 (a.u.)
total exchange computation time: 2.7597520351 s
-154.2903777754
Anderson extrapolation: theta=0.0543810977 (0.0543810977)
-931.40346034
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3808488101 (a.u.)
total exchange computation time: 2.7593510151 s
-154.2915159439
Anderson extrapolation: theta=2.0361722359 (2.0000000000)
-931.40346713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3805378002 (a.u.)
total exchange computation time: 2.7598960400 s
-154.2939204676
Anderson extrapolation: theta=0.2560663977 (0.2560663977)
-931.40347471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3804563236 (a.u.)
total exchange computation time: 2.7603518963 s
-154.2945154581
Anderson extrapolation: theta=1.7196581831 (1.7196581831)
-931.40347627
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3803413107 (a.u.)
total exchange computation time: 2.7596559525 s
-154.2953124000
Anderson extrapolation: theta=0.3088299203 (0.3088299203)
-931.40347795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3803316200 (a.u.)
total exchange computation time: 2.7605338097 s
-154.2953361399
Anderson extrapolation: theta=1.1866729169 (1.1866729169)
-931.40347834
-211.622219 121.320103 -35.872139
566.469379 1066.459957 -418.609310
354.847160 1187.780060 -454.481449
1320.337595
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1413737155
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3803398860 (a.u.)
total exchange computation time: 2.7595858574 s
679.07327935
-1084.12574621
89.68429159
-388.81945311
-174.83551028
78.48371413
551.60419304
0.00000000
-931.40347855
5.54413695 -31.23707643 -3.77161545
-0.00025750 -0.00010086 -0.00004956
0.01890633 -0.01539139 -0.01013165
-11.84765231 -1.01572990 -11.82126101
-0.00013288 0.00009746 -0.00000539
0.01056095 0.03191263 -0.02416302
-37.92469824 2.32306202 3.33403462
0.00029138 -0.00007998 -0.00013015
-0.01587573 0.01603377 -0.01247277
-9.76618900 -2.75719955 2.48922243
-0.00056795 0.00014716 -0.00011256
0.04734091 -0.01121193 0.03818822
0.76228424 -0.25068474 8.95254432
0.00024301 -0.00020101 -0.00022772
0.00214670 -0.00045761 0.02085299
-32.41075737 2.75466771 1.79551178
-0.00007685 -0.00004459 -0.00002085
0.03835118 -0.03184260 0.01585979
13.98884963 13.71645410 -14.39755066
0.00034993 0.00039263 -0.00020738
0.03802405 -0.01441595 -0.01480187
-4.09274171 7.08983757 4.05402903
-0.00043093 -0.00010021 -0.00030322
0.00406358 -0.01656458 -0.02414937
5.80410153 16.70518349 -8.45298707
0.00017477 0.00000781 0.00027079
-0.00359970 0.00559857 0.03031669
6.80195308 7.23031328 -21.03478408
-0.00017690 0.00024937 0.00010738
0.01232400 -0.00877785 0.00061070
23.40652494 17.11078046 -2.20993944
-0.00033619 0.00000841 0.00031835
0.02622265 -0.00016739 -0.01160971
1.39027462 12.90437079 -20.96698704
0.00010710 0.00010926 0.00028113
-0.00319555 0.00507500 -0.00959923
10.42133538 -3.55801997 -1.68237143
0.00009571 0.00015931 0.00011109
-0.03446015 -0.05048898 -0.01637490
-17.86767916 -2.68201045 4.70348869
0.00019526 -0.00010371 0.00011440
-0.01299268 0.00167185 0.01663093
-15.28702419 0.13466153 18.59616898
0.00001247 -0.00001569 -0.00014802
0.00389124 -0.01720333 -0.00605578
2.74176754 2.76116681 -2.90636562
-0.00022183 0.00002920 0.00006615
-0.02863273 0.01522137 0.01499924
23.42478337 -7.86719421 -9.64356481
0.00000577 -0.00026439 -0.00025787
-0.00162148 0.03431188 0.00164981
1.45328351 -7.93532481 6.71202411
0.00014871 0.00024676 0.00007071
-0.00483418 -0.00293477 -0.02948524
-3.71648751 -1.11243364 -18.12102959
0.00030350 0.00042513 0.00032118
0.00293349 0.01740768 0.00130960
3.18906174 4.27457732 -10.65170393
-0.00022524 -0.00001634 0.00023712
0.03564075 -0.01879192 0.03509029
-2.63121966 16.83158270 13.93406480
0.00015163 -0.00011748 0.00007937
-0.02604121 0.02180894 0.00627127
-2.27478760 2.09110625 -7.04282554
0.00000343 0.00018631 0.00016830
0.01155229 -0.02051568 0.00433821
-6.70694262 -2.02954358 -4.45271897
-0.00012166 0.00009289 -0.00015607
0.01061873 -0.01785211 -0.00403209
0.36332282 28.25220161 7.32121745
0.00015771 0.00014578 0.00032216
-0.00786539 0.00266830 -0.02046603
10.05526305 -9.13554681 -1.46828116
0.00013262 -0.00004151 -0.00012153
-0.00368820 0.01814078 -0.04505652
-6.84795107 0.43088089 7.58769993
-0.00000162 0.00026475 0.00020816
-0.00680541 -0.00114929 0.04399692
18.70501238 11.71168958 6.34613160
0.00028773 -0.00016120 0.00009069
0.00602070 -0.01735438 0.02160871
-3.30650881 -3.90102437 -23.28068782
-0.00024788 0.00028839 -0.00000726
0.01623077 0.00368448 0.01557595
-13.63228517 8.31947288 8.35467383
0.00002128 0.00012630 0.00025351
-0.01120498 -0.01154909 0.00779251
-12.13102151 7.44822975 -2.70443690
-0.00033756 -0.00022899 -0.00035699
0.02476691 0.03721938 0.01418867
-3.34951889 -16.31260589 20.46745146
-0.00047399 -0.00032552 0.00014666
-0.01946630 0.00501847 0.01454015
-3.34822599 6.97134577 -7.89309306
-0.00047684 0.00017017 0.00015840
0.01042873 -0.04214070 -0.05051537
-20.69083803 29.59026326 1.33736505
0.00002832 0.00023652 -0.00009002
0.03280655 -0.00287620 0.00823064
9.82873503 3.18803579 7.49441839
0.00028763 -0.00023558 -0.00003828
0.00787362 -0.05452765 -0.03610972
6.38031039 14.52048514 -13.08225155
0.00006847 0.00026005 0.00027077
0.00658799 0.07542901 -0.02322393
14.12983934 3.77967060 -2.82394735
0.00001649 -0.00020435 0.00025893
-0.00246279 -0.01862890 0.04059921
-6.28914691 11.05991909 -0.41776058
0.00009966 -0.00006703 0.00020394
0.02377138 -0.03262540 0.00411702
6.16573014 13.21497376 3.14351912
0.00018863 0.00021920 -0.00010649
-0.07246854 0.04597932 0.01895176
21.90506988 -12.22176636 -11.68312704
-0.00003270 0.00028005 -0.00027834
-0.02656545 -0.01837819 0.01946242
16.72431814 -6.33686779 3.36009431
0.00016259 0.00007535 0.00007246
-0.03837065 -0.02984862 0.03861598
15.31271468 7.18796908 9.82738027
0.00013208 -0.00020466 -0.00029530
-0.02211750 0.01049882 0.01126279
3.03467047 -13.81831807 16.44709357
-0.00010754 0.00031253 -0.00036509
-0.00911338 -0.00136231 -0.02694871
-3.56907566 -0.98811113 -10.79270321
-0.00008652 -0.00045599 -0.00016073
0.02070856 0.03920770 -0.02256800
15.36222121 -7.90019521 -9.53608648
-0.00007699 0.00010549 0.00003331
0.00511400 -0.00420442 0.06854327
8.97033607 -3.49665743 6.38696515
0.00032332 -0.00038819 0.00007113
-0.00922693 0.01264370 -0.03983152
-21.49609303 1.59634662 24.49997996
-0.00031810 -0.00009752 -0.00015666
0.00672002 0.00790014 0.01768822
24.90651282 -1.73162469 -6.49271575
-0.00000357 -0.00003608 0.00003577
0.00310499 0.00016871 0.00727379
11.72813039 -11.84060639 -10.00468366
0.00025455 -0.00008240 -0.00009268
0.00777709 0.00327606 -0.00845817
-4.82407556 -10.28849864 16.58637757
0.00034179 -0.00022689 -0.00000783
0.01379402 -0.01385018 0.03592542
8.16063709 2.35901767 -30.65740979
0.00012057 0.00032088 -0.00056246
0.01037445 -0.01344226 -0.00105944
10.89776274 17.11647780 14.72265202
0.00024171 -0.00040863 -0.00025388
-0.01410436 -0.01164878 0.02767033
30.65177777 7.27944584 -7.61120496
0.00006334 -0.00002087 0.00025983
0.06608152 -0.01812915 -0.00144864
5.79795081 -30.14708727 -5.20823743
-0.00001613 -0.00047318 0.00064392
-0.00685298 0.00688702 -0.00602088
3.95926726 -30.89743855 -3.02546028
-0.00021676 0.00005418 0.00068476
-0.01881949 0.01483140 0.01045860
-12.48201263 -1.84738327 -13.43604552
-0.00039211 0.00077826 0.00006400
0.00110147 -0.00988049 0.01460324
-11.63500845 0.73427446 -12.58596566
-0.00003323 -0.00001761 0.00072353
-0.00610405 -0.02161242 0.01308580
-38.07436105 3.86945020 2.28022582
-0.00078820 0.00131091 0.00008133
0.00923429 -0.00588264 0.00830995
-39.70959039 1.83026337 3.32699657
-0.00006417 0.00092861 -0.00020080
0.00646495 -0.00891963 0.00502458
-9.76095631 -3.35979061 0.72547005
-0.00005107 -0.00055486 0.00027260
-0.00774085 0.00494558 0.00964123
-8.24346228 -3.55694030 3.42413872
-0.00075446 0.00032022 0.00053301
-0.03744331 0.01497801 -0.03186970
0.11352226 -0.52970670 7.30376097
0.00046117 -0.00063195 0.00103349
0.00186244 0.00245837 -0.01807814
1.96207960 1.13303267 8.95768519
0.00005672 0.00038459 0.00033859
-0.00463039 -0.00461253 -0.00435608
-32.21726292 0.98654866 2.50772133
-0.00039072 -0.00022207 -0.00041900
-0.00345100 0.01741309 -0.01986482
-34.10515358 3.17825859 2.08002872
0.00042229 0.00089737 -0.00096260
-0.03129647 0.00432036 0.00083832
12.80155562 12.75967538 -15.34352516
-0.00069058 -0.00046008 -0.00071421
-0.02647495 -0.00389225 -0.00570985
15.51843047 12.81451484 -15.11718893
-0.00024859 -0.00042209 0.00104254
-0.01134769 0.02048019 0.02305057
-3.97054530 8.82660609 4.75424784
0.00001634 -0.00005130 -0.00045161
0.00397480 -0.00313379 -0.01823631
-3.48537282 6.83370789 2.23329650
-0.00083574 0.00039811 0.00041585
-0.00773029 0.01416208 0.04519743
6.02690413 16.03209098 -10.09380730
0.00059670 -0.00094865 0.00038777
-0.00286927 -0.01210087 -0.03456191
7.56964577 16.89835829 -7.97701578
0.00008591 0.00004270 0.00025025
0.00787922 0.00554743 0.00758142
7.88677651 7.16989166 -22.61182204
-0.00036985 0.00002103 -0.00077198
-0.00980364 0.00435952 0.01510742
7.95325955 7.77501654 -19.67718539
-0.00050958 0.00111483 0.00012356
-0.00321074 0.00179083 -0.01480360
21.74529485 17.87575036 -2.39774442
-0.00004964 -0.00041270 -0.00043039
-0.00263559 -0.00183184 0.00181032
24.58958458 17.97511613 -3.35454724
0.00015216 -0.00044889 -0.00018746
-0.01657171 -0.00412281 0.00804737
1.26175162 11.16003300 -21.49357002
-0.00013717 0.00077649 0.00051521
-0.00703926 -0.00841628 0.00034016
0.65019728 13.97658131 -22.28579196
-0.00026413 -0.00090686 -0.00010427
0.00913669 -0.00357145 0.00771150
9.75089440 -5.43382623 -1.60948753
-0.00001296 0.00059268 -0.00023752
0.02397297 0.05475899 -0.00298346
9.13649501 -2.52873495 -2.57753228
0.00146299 -0.00067458 -0.00155740
0.00831639 -0.01318583 0.00968799
-18.91955169 -4.11322430 5.27270248
0.00055511 0.00016995 0.00019866
0.01408644 0.00597152 -0.01242790
-17.07749676 -3.02017531 3.11820821
-0.00013366 -0.00003027 0.00040501
-0.00922930 -0.01193615 -0.01228523
-15.43255724 0.19972120 16.76479491
0.00005206 0.00047085 0.00021111
0.00389277 0.00048786 0.00369663
-13.79193160 1.07706388 18.94280719
-0.00009526 -0.00058487 -0.00018890
0.00640843 0.01090449 0.00261569
3.13478182 3.67085021 -4.40680725
-0.00027023 0.00088266 0.00076985
0.00330931 0.00746934 -0.00583520
3.33549155 1.09081172 -3.15821764
-0.00087144 0.00018963 0.00043685
0.01477796 -0.01280082 -0.00408220
22.90591711 -9.45533446 -10.30005786
0.00068757 -0.00001734 -0.00006389
0.00295895 -0.02465911 -0.00697396
24.89809644 -7.85889981 -8.60519215
0.00047951 -0.00009982 0.00040584
0.00744647 -0.00649034 0.00009572
2.37035118 -8.86576222 5.40298609
0.00062839 -0.00118852 0.00089652
-0.00915301 0.00878101 0.00584540
2.58418225 -7.98280432 8.09458546
-0.00033791 -0.00130786 0.00096728
0.01341168 0.00394982 0.02024535
-3.82663058 -2.83414770 -17.62704078
0.00110625 -0.00046402 -0.00059978
0.00054910 -0.01947471 0.00228002
-4.97987323 -0.34741151 -16.96260418
-0.00051509 0.00011304 -0.00018588
0.00524743 -0.00198660 -0.00530913
2.21084056 4.69840354 -12.05529834
-0.00066596 -0.00009759 0.00052035
-0.02842869 0.01442191 -0.02602036
2.13401487 3.75806346 -9.26337747
-0.00079564 0.00100109 0.00009730
-0.01043605 0.00461925 -0.00654534
-1.01531857 16.36291015 13.21217095
-0.00053596 0.00053761 -0.00034252
0.01415240 -0.01599942 0.00610564
-2.50459900 17.15216186 15.73466290
-0.00017658 0.00032622 0.00101203
0.00444997 -0.00513816 -0.00992864
-1.67017290 1.10274219 -5.58147734
-0.00031260 0.00029350 0.00017810
-0.01400645 0.00939165 -0.02016740
-2.82149036 0.88238351 -8.44948368
-0.00033712 -0.00085601 -0.00044368
0.00036199 0.00843139 0.02273781
-8.13944837 -3.03633225 -4.95364845
-0.00092389 -0.00124320 0.00047587
-0.00574269 -0.00095964 0.00186045
-7.36440066 -0.42492666 -4.00694257
0.00031076 0.00024799 0.00043837
-0.00793557 0.01997623 0.00330014
1.39159473 28.35924317 5.76004185
0.00007327 -0.00043528 -0.00104050
-0.01529183 0.00107283 0.01371149
-1.40328491 28.45399888 6.68507434
-0.00134815 -0.00016180 -0.00050038
0.01825669 -0.00768549 -0.00317947
8.33966068 -9.10452790 -2.24873097
0.00009215 -0.00022372 0.00014035
0.01109858 -0.00869490 0.01641180
10.09911161 -10.01766354 0.08063307
0.00023654 0.00016416 -0.00005192
-0.00434139 -0.00908594 0.02673037
-5.90220118 0.21405086 9.24892944
-0.00119993 0.00065450 -0.00022812
0.00339171 0.00185913 -0.02686646
-8.44663030 -0.24012330 8.24990720
-0.00024228 0.00017848 0.00035122
0.00142410 -0.00010512 -0.01412207
19.76333125 11.22990589 7.86215829
-0.00039926 -0.00029900 0.00135370
-0.01245139 0.01425878 -0.02166519
19.48469244 13.15477761 5.55767974
0.00000907 0.00104158 0.00048464
0.00791954 0.00061091 0.00427870
-2.86579860 -2.47356234 -22.20732306
0.00165855 0.00123693 0.00007143
-0.00872690 -0.00519112 -0.00232355
-4.79171824 -3.41127364 -24.20463269
-0.00018651 -0.00106883 -0.00021487
-0.01459144 0.00838910 -0.01131831
-12.49020302 9.18579822 9.50339709
0.00001168 -0.00010955 0.00056602
0.00220135 0.00207716 -0.00278712
-13.16458986 8.70965572 6.64502758
0.00006647 -0.00014586 0.00033109
0.00958503 0.01194398 -0.00376803
-12.59292896 7.37949849 -4.46820649
-0.00039283 -0.00032290 -0.00058627
-0.01109675 -0.00156689 -0.01617618
-11.46865741 9.24050283 -2.50715364
-0.00023812 -0.00007347 0.00017050
-0.01702891 -0.03166811 -0.00159219
-4.82087699 -17.36208766 20.03516402
0.00079392 0.00049018 -0.00055233
-0.00126901 0.00465586 0.00041541
-1.97557024 -17.04532252 19.60482158
-0.00062511 0.00074011 -0.00068514
0.01837633 -0.00711794 -0.01118557
-3.64853869 5.45251164 -6.93860895
0.00009421 -0.00032241 -0.00041572
0.00625965 -0.00457089 0.00074671
-3.62647910 8.36177426 -6.91950486
-0.00060319 0.00019273 0.00057656
-0.01743140 0.05598547 0.04518683
-21.20109825 28.22031310 0.20596481
0.00005613 -0.00039669 0.00084159
0.01218233 0.00840276 0.01222207
-18.78574653 29.42327098 1.67749109
-0.00023129 0.00040497 -0.00077054
-0.03870942 0.00070310 -0.02093450
8.69402732 2.47916862 6.13683888
-0.00162805 -0.00009202 -0.00015473
0.00895165 0.01611834 0.02092949
9.22709147 4.78166154 7.92535996
0.00000712 0.00014208 0.00040416
-0.02199624 0.04640394 0.01488448
7.11645380 15.11503339 -14.72227832
-0.00005376 0.00110778 0.00182387
-0.00822974 -0.00244367 0.02616221
6.47116409 12.81814721 -13.17993141
0.00123117 0.00046469 0.00022089
0.00628686 -0.07606358 -0.00256022
13.27608718 5.24588215 -3.49210388
-0.00038799 0.00039937 -0.00022429
-0.00585403 -0.00118212 0.00845847
13.39983538 3.43435591 -1.01111135
-0.00055677 -0.00158466 -0.00035390
0.00983103 0.01274870 -0.04534672
-5.27991081 9.50193381 0.02299999
0.00091053 -0.00038598 -0.00061350
-0.01684980 0.03124038 -0.01205872
-7.99761743 10.46872869 -0.14808274
-0.00005358 -0.00143370 -0.00101545
-0.00152778 0.00492980 0.00601065
4.59957292 12.81740742 2.18624639
0.00005596 0.00074621 0.00014641
0.01333895 0.01018109 0.00710728
7.35847439 12.14523613 2.57695192
0.00055215 0.00065625 0.00024381
0.05726940 -0.04928010 -0.02061123
20.76518062 -12.89482943 -10.31806928
0.00063401 -0.00022034 0.00093018
0.01623477 0.00434648 -0.02290080
22.17250973 -13.68467014 -12.83901081
0.00079497 -0.00052216 -0.00045319
0.00753314 0.00929941 0.00766978
17.98853562 -5.99450345 2.20006652
-0.00045478 0.00008868 -0.00009114
0.02556921 -0.00064623 -0.04096447
16.18625427 -8.14972916 3.23796655
0.00061573 -0.00001128 -0.00058082
0.01109874 0.03422913 -0.00688948
14.14872386 8.23287351 10.93229623
0.00051476 -0.00031156 0.00002448
0.01771195 -0.01123744 -0.02303490
16.58503112 6.61048448 10.99284572
0.00010951 -0.00017183 -0.00062796
0.00331164 0.00038578 0.00518473
2.25810494 -13.12745497 14.91387494
-0.00166688 -0.00080177 0.00030398
0.00131995 -0.01502302 0.00733192
3.58084965 -12.28400716 17.20109426
-0.00007501 -0.00038722 0.00069998
0.01239357 0.01158541 0.01619007
-3.47398699 -2.66845627 -10.12192723
-0.00019108 0.00007526 0.00042680
0.00537868 -0.01786739 0.00988377
-1.87120552 -0.52846961 -11.64226605
0.00031747 -0.00067800 -0.00043572
-0.02474906 -0.01613133 0.01150054
15.01229824 -7.63633461 -11.21370652
0.00083855 -0.00017328 -0.00007310
-0.01059019 0.00602040 -0.06256923
16.89454494 -6.98179282 -8.99462318
0.00073417 0.00021281 -0.00081798
-0.00311939 -0.00238218 -0.00621178
7.35084213 -2.83128876 5.61575039
0.00122590 -0.00061229 -0.00041175
0.01218790 -0.01286839 0.02498397
10.05953701 -3.44371257 4.83060857
0.00096645 -0.00129101 -0.00036478
-0.00076707 -0.00364598 0.01930007
-21.40565062 1.19753909 22.76132595
0.00101933 -0.00053254 0.00047905
0.00140021 -0.00216775 -0.01779643
-22.88393856 0.63870687 25.19591893
-0.00027923 0.00047797 -0.00065402
-0.00635201 -0.00333640 0.00035715
25.60587765 -2.73725040 -7.85720624
0.00027143 0.00061715 -0.00083691
0.00161447 -0.00169699 -0.00166332
23.66873742 -0.57756681 -7.12934799
-0.00003071 -0.00020845 -0.00042082
-0.00290395 -0.00073382 -0.00866520
11.33945714 -12.96692109 -8.63862848
-0.00024886 -0.00070320 0.00002156
-0.01079072 0.00202553 0.00812505
12.60421791 -10.33979778 -9.40857496
0.00073938 0.00058870 0.00004049
0.00313177 -0.00663762 -0.00298173
-5.46158890 -10.41688853 18.36319661
-0.00066628 0.00021929 -0.00079123
0.00325569 0.00084081 -0.02227240
-6.15483800 -9.89075143 15.45242920
-0.00085905 -0.00011913 -0.00031677
-0.01233315 0.00511056 -0.00742976
9.07368447 1.15548808 -31.78812412
0.00091265 0.00028911 -0.00014073
-0.01312304 0.00542584 0.00913989
6.51891799 2.59617051 -31.39543944
0.00062991 0.00040976 -0.00075825
-0.00570414 0.00004227 -0.01082030
11.39566320 18.13602874 13.36163411
-0.00014311 -0.00070294 -0.00042828
0.00940667 0.01731305 -0.02756435
11.92165809 15.61708734 14.65306675
-0.00066887 -0.00023661 0.00005219
0.00660439 0.00061446 -0.00508452
30.73840932 5.45590403 -7.97030142
0.00044812 0.00012173 0.00054457
0.00334825 0.00027684 -0.00275653
28.97774262 7.58099458 -7.35257981
-0.00085809 -0.00091068 -0.00037844
-0.06733625 0.01696366 0.00937648
-8.42043553 4.86118002 5.64291088
0.00001280 -0.00011049 0.00000933
0.00954416 0.00769389 0.00505562
-10.74446902 10.14561416 3.40850335
0.00004392 -0.00000135 -0.00011943
-0.00180379 -0.00787429 0.00367698
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08391503
0.31956352
425.80237102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3754016675 (a.u.)
total exchange computation time: 2.7212400436 s
-154.2356400737
-931.40406722
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3746416915 (a.u.)
total exchange computation time: 2.7217869759 s
-154.2423178070
Anderson extrapolation: theta=1.3358861746 (1.3358861746)
-931.40434529
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3735340887 (a.u.)
total exchange computation time: 2.7211148739 s
-154.2518549235
Anderson extrapolation: theta=0.0496278912 (0.0496278912)
-931.40450834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3734049064 (a.u.)
total exchange computation time: 2.7217211723 s
-154.2529024789
Anderson extrapolation: theta=1.8955146569 (1.8955146569)
-931.40451406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.419 s
total exchange = -52.3731364905 (a.u.)
total exchange computation time: 2.7215709686 s
-154.2550518911
Anderson extrapolation: theta=0.2210464886 (0.2210464886)
-931.40451972
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3730705025 (a.u.)
total exchange computation time: 2.7210879326 s
-154.2555556821
Anderson extrapolation: theta=1.8940672455 (1.8940672455)
-931.40452074
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3729655931 (a.u.)
total exchange computation time: 2.7239809036 s
-154.2563260156
Anderson extrapolation: theta=0.2867986144 (0.2867986144)
-931.40452193
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3729567435 (a.u.)
total exchange computation time: 2.7240669727 s
-154.2563604130
Anderson extrapolation: theta=1.2842089840 (1.2842089840)
-931.40452220
-211.615718 121.324647 -35.915742
566.465469 1066.451681 -418.597605
354.849751 1187.776328 -454.513347
1320.345915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0578488372
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3729621349 (a.u.)
total exchange computation time: 2.7429158688 s
678.96118837
-1083.88049499
89.69076777
-388.98704653
-174.81597485
78.34619147
551.60419304
0.00000000
-931.40452236
5.54034737 -31.23864870 -3.77239791
-0.00024864 -0.00010959 -0.00005317
0.01553582 -0.01856827 -0.00390108
-11.84960481 -1.01414493 -11.82143513
-0.00012739 0.00011349 -0.00001729
0.01079556 0.03041235 -0.02208367
-37.92038883 2.32192424 3.33203422
0.00028269 -0.00007025 -0.00013748
-0.01790896 0.02178895 -0.01601839
-9.77452563 -2.75503537 2.48768128
-0.00054358 0.00014137 -0.00009263
0.04744296 -0.01131210 0.03933599
0.76593770 -0.25370167 8.94920892
0.00024534 -0.00020043 -0.00021440
0.00689124 0.00271983 0.03096326
-32.41176225 2.75387596 1.79526025
-0.00005627 -0.00006109 -0.00001297
0.04168758 -0.03228344 0.01478238
13.99424521 13.72228793 -14.40071851
0.00036666 0.00038394 -0.00021607
0.02702628 -0.01938004 -0.01897320
-4.09918993 7.08827056 4.04938751
-0.00042912 -0.00010839 -0.00031444
0.00297867 -0.01526456 -0.01946718
5.80670916 16.70532220 -8.44880822
0.00017293 0.00001036 0.00028555
-0.00353491 0.00431521 0.02707224
6.79934705 7.23402001 -21.03317107
-0.00017039 0.00024479 0.00010706
0.01300139 -0.00904859 -0.00183512
23.40158324 17.11090595 -2.20520898
-0.00032168 0.00000831 0.00031207
0.03021554 -0.00022263 -0.01282749
1.39186881 12.90602928 -20.96280719
0.00010555 0.00011282 0.00027647
-0.00282104 0.00877412 -0.00848514
10.42263804 -3.55582504 -1.68076818
0.00007872 0.00013319 0.00010291
-0.03160977 -0.05108274 -0.01543980
-17.86480043 -2.68355967 4.70526892
0.00018859 -0.00010219 0.00012346
-0.01292690 0.00423191 0.01857053
-15.28682207 0.13435980 18.59392538
0.00001392 -0.00002489 -0.00015076
0.00172240 -0.01857453 -0.00462004
2.73832964 2.76166355 -2.90531549
-0.00023695 0.00003774 0.00007445
-0.03018048 0.01796389 0.01728332
23.42486369 -7.87102773 -9.64742651
0.00000658 -0.00024591 -0.00025571
0.00475459 0.03754869 0.00674122
1.45549550 -7.93163471 6.71297100
0.00014742 0.00024480 0.00005601
-0.00019444 -0.00469682 -0.02766899
-3.71192374 -1.10598948 -18.11620691
0.00030486 0.00043297 0.00032210
0.00234957 0.01306487 0.00230172
3.18582066 4.27425979 -10.64801183
-0.00020724 -0.00002589 0.00025483
0.03434393 -0.01837810 0.03378184
-2.62904567 16.82990456 13.93527960
0.00013721 -0.00010571 0.00008465
-0.03001402 0.02397539 0.01424921
-2.27469155 2.09382175 -7.04028437
0.00000883 0.00017505 0.00016923
0.00942709 -0.02325411 -0.00068675
-6.70872653 -2.02821904 -4.45507555
-0.00011791 0.00008254 -0.00015872
0.00393827 -0.02240265 -0.00625865
0.36565806 28.25439867 7.32597095
0.00015224 0.00014738 0.00030944
-0.01340222 0.00354292 -0.02901626
10.05723814 -9.13609949 -1.47027788
0.00013081 -0.00003229 -0.00014457
-0.00333368 0.01770895 -0.04454471
-6.84800158 0.43484777 7.59099200
-0.00000638 0.00026411 0.00022993
-0.01171465 -0.00135028 0.04067365
18.70935158 11.70920467 6.34757523
0.00029157 -0.00016938 0.00010186
0.00890163 -0.01445481 0.02185838
-3.31016441 -3.89668434 -23.28073671
-0.00023822 0.00029137 0.00000226
0.02134772 0.00789444 0.02148070
-13.63200921 8.32132290 8.35850651
0.00001548 0.00012033 0.00025781
-0.01132655 -0.01167730 0.00892273
-12.13598942 7.44493852 -2.70973704
-0.00032491 -0.00020978 -0.00034991
0.02443644 0.03746872 0.01332955
-3.35670385 -16.31746928 20.46970752
-0.00048234 -0.00032173 0.00015468
-0.01299510 0.00969918 0.01662846
-3.35533830 6.97373580 -7.89091190
-0.00047160 0.00014954 0.00013298
0.00994423 -0.03809312 -0.04833663
-20.69028671 29.59379992 1.33604656
0.00004472 0.00023510 -0.00008580
0.03098915 -0.00265303 0.00817587
9.83307978 3.18429175 7.49370487
0.00029002 -0.00026256 -0.00005746
0.00141835 -0.05038632 -0.03845591
6.38136281 14.52467684 -13.07827954
0.00007098 0.00029810 0.00026059
0.00319213 0.07255204 -0.01637375
14.13007723 3.77653355 -2.81990685
0.00001451 -0.00021280 0.00027872
-0.00523616 -0.01424535 0.03636205
-6.28756039 11.05878773 -0.41468567
0.00011146 -0.00008453 0.00020618
0.02213494 -0.03540298 0.00460793
6.16828003 13.21843909 3.14199493
0.00015163 0.00024293 -0.00009653
-0.07141079 0.04629566 0.01977492
21.90447685 -12.21763650 -11.68722709
-0.00004654 0.00026942 -0.00026836
-0.02722425 -0.02296681 0.01935834
16.72660892 -6.33585274 3.36133014
0.00014262 0.00005986 0.00009257
-0.03926170 -0.03036050 0.03957472
15.31461053 7.18493961 9.82299422
0.00012055 -0.00019924 -0.00028983
-0.02269447 0.01060011 0.00999190
3.03302229 -13.81363533 16.44151329
-0.00011207 0.00031098 -0.00037840
-0.00850456 -0.00467044 -0.02482489
-3.57029350 -0.99479970 -10.79520114
-0.00007545 -0.00043527 -0.00017249
0.02231826 0.04134094 -0.02316610
15.36108613 -7.89862912 -9.53532238
-0.00007370 0.00010387 0.00006849
0.00766828 -0.00207341 0.06824817
8.97515030 -3.50243154 6.38787841
0.00031990 -0.00038210 0.00005023
-0.00407180 0.01102720 -0.04142482
-21.50083858 1.59491431 24.49769825
-0.00031393 -0.00009265 -0.00014709
0.00947066 0.01104502 0.01955036
24.90647124 -1.73216521 -6.49215115
-0.00000186 -0.00003632 0.00003864
0.00353693 -0.00111025 0.00388816
11.73197871 -11.84182973 -10.00610643
0.00025896 -0.00008031 -0.00009583
0.00934620 0.00485416 -0.00382256
-4.81889557 -10.29195542 16.58639874
0.00034688 -0.00023336 0.00000849
0.00600258 -0.01132489 0.02751300
8.16248565 2.36377905 -30.66585084
0.00012674 0.00031381 -0.00056268
0.01363458 -0.01404180 0.00021691
10.90133400 17.11030340 14.71895060
0.00023365 -0.00041355 -0.00023940
-0.01724998 -0.00749493 0.02864530
30.65298270 7.27906285 -7.60731304
0.00009507 -0.00002946 0.00025957
0.05734168 -0.01525862 0.00043266
5.79749887 -30.15397389 -5.19876321
-0.00004320 -0.00043782 0.00061040
-0.00639705 0.01042065 -0.01038300
3.95543917 -30.89617138 -3.01486840
-0.00028759 0.00011396 0.00072422
-0.01585362 0.01443358 0.00885738
-12.48786046 -1.83601215 -13.43463802
-0.00038800 0.00073622 0.00012167
0.00090917 -0.01069973 0.01362863
-11.63569387 0.73334807 -12.57471173
-0.00005751 -0.00010162 0.00077414
-0.00578512 -0.01951067 0.01168894
-38.08590107 3.88893366 2.28170035
-0.00074644 0.00127705 0.00012189
0.01120514 -0.01069648 0.01154799
-39.71035480 1.84391923 3.32413853
-0.00003701 0.00089026 -0.00017916
0.00682649 -0.00985609 0.00556897
-9.76195962 -3.36796197 0.72985447
-0.00008249 -0.00053461 0.00031043
-0.00763822 0.00496827 0.00887629
-8.25592655 -3.55167798 3.43115735
-0.00090661 0.00038134 0.00040256
-0.03703614 0.01493887 -0.03199015
0.12049692 -0.53911059 7.31870928
0.00046215 -0.00062440 0.00094011
-0.00138165 0.00123632 -0.02762872
1.96278857 1.13866012 8.96263056
0.00003432 0.00036174 0.00031985
-0.00633539 -0.00657283 -0.00481685
-32.22322952 0.98375127 2.50082763
-0.00040621 -0.00015077 -0.00049916
-0.00413055 0.01748491 -0.01937402
-34.09977825 3.19185159 2.06561534
0.00028871 0.00091579 -0.00095785
-0.03409160 0.00469436 0.00149075
12.79038569 12.75265498 -15.35441325
-0.00078150 -0.00046323 -0.00072544
-0.01803278 0.00234808 0.00021182
15.51435385 12.80881104 -15.10084455
-0.00028966 -0.00034124 0.00113231
-0.00875656 0.01909925 0.02089452
-3.97017846 8.82574063 4.74691482
0.00003207 -0.00006400 -0.00052497
0.00372741 -0.00308380 -0.01767055
-3.49814575 6.84011357 2.24091924
-0.00086405 0.00045344 0.00059113
-0.00612969 0.01292046 0.04060469
6.03576671 16.01749038 -10.08904988
0.00058394 -0.00099564 0.00025221
-0.00337789 -0.01090192 -0.03179390
7.57117580 16.89916878 -7.97302978
0.00011859 0.00006561 0.00028177
0.00812241 0.00566749 0.00785203
7.88092835 7.17034066 -22.62293876
-0.00041169 0.00003938 -0.00070439
-0.01067540 0.00462617 0.01797488
7.94551741 7.79179389 -19.67578556
-0.00052207 0.00112150 0.00006185
-0.00290296 0.00147205 -0.01540738
21.74446942 17.86950367 -2.40414481
-0.00006467 -0.00041800 -0.00042356
-0.00471840 -0.00075856 0.00153225
24.59135916 17.96825647 -3.35711254
0.00008087 -0.00046765 -0.00015152
-0.01832489 -0.00506143 0.00954738
1.25947842 11.17142244 -21.48583140
-0.00016591 0.00073153 0.00051488
-0.00703049 -0.01359158 -0.00050207
0.64651526 13.96286890 -22.28711969
-0.00022777 -0.00091803 -0.00007354
0.00866510 -0.00189221 0.00733271
9.75143458 -5.42325798 -1.61314180
0.00008411 0.00081223 -0.00024915
0.02354200 0.05271030 -0.00270670
9.15869465 -2.53925777 -2.60059638
0.00149153 -0.00072336 -0.00152065
0.00565490 -0.01069244 0.00830106
-18.91079335 -4.11049206 5.27530155
0.00060932 0.00018996 0.00014967
0.01244867 0.00382533 -0.01155532
-17.07978441 -3.02099505 3.12390691
-0.00016834 -0.00008001 0.00034921
-0.00774849 -0.01241191 -0.01502898
-15.43165710 0.20679894 16.76807479
0.00006664 0.00047274 0.00022093
0.00324393 0.00043670 0.00110992
-13.79316408 1.06862500 18.94005385
-0.00006370 -0.00053711 -0.00017613
0.00904075 0.01247337 0.00363295
3.13082972 3.68431905 -4.39543835
-0.00025559 0.00091260 0.00074379
0.00385675 0.00718656 -0.00692242
3.32287281 1.09326385 -3.15178997
-0.00080854 0.00013214 0.00041735
0.01601029 -0.01533856 -0.00546170
22.91632129 -9.45635023 -10.30122987
0.00069737 -0.00012474 -0.00009498
0.00183910 -0.02791358 -0.00824596
24.90551721 -7.86059606 -8.59910163
0.00049922 -0.00012598 0.00039872
0.00220261 -0.00631336 -0.00358167
2.37949649 -8.88332089 5.41661302
0.00058788 -0.00114941 0.00092275
-0.01067343 0.01036403 0.00699397
2.57952456 -8.00230115 8.10971507
-0.00028951 -0.00129074 0.00104400
0.01028105 0.00442881 0.01730933
-3.81001994 -2.84170470 -17.63596764
0.00110785 -0.00053237 -0.00059225
0.00023181 -0.01398339 0.00140770
-4.98743882 -0.34577672 -16.96555511
-0.00049183 0.00010242 -0.00020764
0.00614041 -0.00321305 -0.00534085
2.19997997 4.69738155 -12.04829047
-0.00077999 -0.00003851 0.00041427
-0.02739065 0.01450092 -0.02590315
2.12176054 3.77322131 -9.26211854
-0.00083765 0.00101888 0.00007289
-0.01012889 0.00409055 -0.00540235
-1.02292430 16.37048406 13.20722022
-0.00047031 0.00047046 -0.00031937
0.01798157 -0.01687028 0.00522933
-2.50711140 17.15689769 15.74953908
-0.00015823 0.00030230 0.00095690
0.00453400 -0.00657239 -0.01705537
-1.67529108 1.10743242 -5.57942382
-0.00036852 0.00033041 0.00009823
-0.01336826 0.00867571 -0.01892900
-2.82653611 0.86980172 -8.45544213
-0.00033292 -0.00081489 -0.00034445
0.00169492 0.01169618 0.02583633
-8.15348266 -3.05500966 -4.94645341
-0.00093346 -0.00123449 0.00048863
0.00105711 0.00522257 0.00438664
-7.35998236 -0.42059470 -4.00026587
0.00027794 0.00032602 0.00045071
-0.00813176 0.01822004 0.00273885
1.39222522 28.35274678 5.74485458
0.00000441 -0.00043104 -0.00097351
-0.01841641 0.00100492 0.01907597
-1.42294769 28.45133631 6.67747128
-0.00125633 -0.00019445 -0.00050689
0.02668928 -0.00829667 -0.00001073
8.34138298 -9.10815018 -2.24612275
0.00013647 -0.00025888 0.00020660
0.01059619 -0.00851543 0.01601728
10.10252674 -10.01547954 0.08067345
0.00021915 0.00012732 0.00005693
-0.00417342 -0.00894805 0.02654774
-5.92009626 0.22392531 9.24468431
-0.00117899 0.00066140 -0.00032942
0.00685950 0.00151725 -0.02271780
-8.45022083 -0.23744928 8.25474282
-0.00023427 0.00017935 0.00029116
0.00249450 0.00052857 -0.01527721
19.75696076 11.22585783 7.88179989
-0.00045183 -0.00023875 0.00125935
-0.01327881 0.01523349 -0.02451936
19.48507116 13.17041998 5.56508043
0.00003751 0.00103522 0.00050760
0.00600138 -0.00372065 0.00695937
-2.84118778 -2.45516740 -22.20632282
0.00161497 0.00120252 0.00004991
-0.01260802 -0.01165461 -0.00821146
-4.79496295 -3.42704899 -24.20820255
-0.00024875 -0.00102992 -0.00026103
-0.01587617 0.01065643 -0.01127686
-12.48996042 9.18421864 9.51180204
0.00002039 -0.00010134 0.00055349
0.00206191 0.00194130 -0.00334683
-13.16329908 8.70783379 6.64987847
0.00010636 -0.00009658 0.00031444
0.00993993 0.01217800 -0.00438138
-12.59916147 7.37460692 -4.47749629
-0.00043711 -0.00032803 -0.00064866
-0.01057566 -0.00094066 -0.01436297
-11.47275109 9.23843034 -2.50464490
-0.00030860 -0.00020433 0.00016260
-0.01747144 -0.03238649 -0.00227760
-4.80900710 -17.35459236 20.02689175
0.00077381 0.00049923 -0.00055362
-0.00857519 -0.00022529 -0.00104708
-1.98438379 -17.03443902 19.59420173
-0.00054803 0.00071143 -0.00073149
0.01935298 -0.00691840 -0.01150183
-3.64693379 5.44753542 -6.94482181
0.00011974 -0.00034084 -0.00041231
0.00624136 -0.00444960 0.00092255
-3.63606114 8.36638082 -6.90947186
-0.00067312 0.00041297 0.00075614
-0.01679629 0.05182417 0.04272077
-21.19988307 28.21462022 0.21896322
0.00010431 -0.00036365 0.00088986
0.01140219 0.00776962 0.01140697
-18.79040211 29.42936709 1.66529148
-0.00038448 0.00040801 -0.00085393
-0.03627458 0.00078517 -0.01988477
8.66988091 2.47828217 6.13515932
-0.00158314 -0.00002259 -0.00006221
0.01303293 0.01786982 0.02435830
9.22652431 4.78521465 7.93187853
-0.00007781 0.00032010 0.00046231
-0.01958227 0.04073883 0.01357655
7.11539524 15.13157523 -14.69411856
-0.00008171 0.00110193 0.00191742
-0.00545170 -0.00042082 0.01963018
6.48982425 12.82278673 -13.17669653
0.00125834 0.00015541 0.00020999
0.00701621 -0.07533212 -0.00277302
13.27008789 5.25183654 -3.49520904
-0.00040629 0.00038331 -0.00018370
-0.00310261 -0.00668136 0.01140943
13.39178515 3.41097671 -1.01780936
-0.00051686 -0.00153013 -0.00053683
0.00970433 0.01394496 -0.04420044
-5.26676919 9.49710148 0.01342796
0.00083860 -0.00025456 -0.00066350
-0.01836166 0.03308769 -0.01241641
-7.99846798 10.44737420 -0.16313027
-0.00005350 -0.00141150 -0.00099134
0.00156631 0.00594046 0.00579239
4.60082100 12.82891262 2.18866031
0.00011001 0.00078603 0.00017374
0.01311913 0.00930768 0.00627043
7.36851159 12.15356978 2.57997747
0.00078449 0.00045579 0.00015958
0.05646002 -0.04884508 -0.02062119
20.77518819 -12.89800130 -10.30481828
0.00070337 -0.00020059 0.00083081
0.01771785 0.00531882 -0.02574329
22.18466514 -13.69221758 -12.84557369
0.00082341 -0.00047735 -0.00041661
0.00638651 0.01263678 0.01023909
17.98249738 -5.99319311 2.19744408
-0.00034697 0.00008837 -0.00026189
0.02720706 0.00049471 -0.04261695
16.19583029 -8.14884946 3.22904321
0.00065962 0.00012726 -0.00060754
0.01038820 0.03358582 -0.00619353
14.15698805 8.22785572 10.93195756
0.00058539 -0.00035627 -0.00006904
0.01685896 -0.01064953 -0.02274537
16.58677519 6.60791881 10.98358519
0.00012582 -0.00017157 -0.00060477
0.00467539 -0.00025742 0.00616834
2.23314213 -13.13994190 14.91865931
-0.00166147 -0.00085839 0.00033211
0.00132807 -0.01269394 0.00644022
3.58010430 -12.28946037 17.21209010
-0.00002546 -0.00033793 0.00076346
0.01186036 0.01254023 0.01488437
-3.47668841 -2.66787492 -10.11522232
-0.00016886 -0.00000100 0.00046835
0.00550086 -0.01946270 0.01045605
-1.86720186 -0.53913387 -11.64844939
0.00021394 -0.00074418 -0.00038726
-0.02593109 -0.01626495 0.01222077
15.02455191 -7.63874934 -11.21672032
0.00079430 -0.00014994 -0.00032869
-0.01106655 0.00540565 -0.06254479
16.90546189 -6.97867369 -9.00708327
0.00071693 0.00019984 -0.00084224
-0.00532096 -0.00396766 -0.00566213
7.36960403 -2.84086737 5.61033978
0.00126952 -0.00066203 -0.00031237
0.00916819 -0.01148257 0.02366279
10.07401028 -3.46318949 4.82572835
0.00095860 -0.00130507 -0.00028006
-0.00307667 -0.00323566 0.02216712
-21.39031774 1.18948456 22.76796644
0.00102555 -0.00054321 0.00039945
0.00164302 -0.00305532 -0.02117275
-22.88832169 0.64577412 25.18611953
-0.00031116 0.00046012 -0.00064923
-0.00927750 -0.00539894 0.00198726
25.60999860 -2.72804520 -7.86981084
0.00027649 0.00061255 -0.00083811
0.00085971 -0.00055305 0.00107744
23.66818780 -0.58071606 -7.13592575
-0.00004214 -0.00021128 -0.00045463
-0.00269243 -0.00065365 -0.00788483
11.33539365 -12.97740696 -8.63805609
-0.00029041 -0.00068807 0.00004824
-0.00955209 0.00537656 0.00493613
12.61540458 -10.33117073 -9.40805896
0.00074650 0.00055150 0.00002532
0.00035155 -0.01157031 -0.00444510
-5.47148340 -10.41357337 18.35064569
-0.00065244 0.00022169 -0.00087546
0.00352003 0.00033132 -0.01895856
-6.16810173 -9.89238173 15.44745004
-0.00089361 -0.00010226 -0.00033687
-0.00458214 0.00314696 -0.00241002
9.08697206 1.15999092 -31.78995492
0.00085673 0.00031236 -0.00010242
-0.01424790 0.00595771 0.00961217
6.52819186 2.60231815 -31.40714470
0.00060173 0.00041006 -0.00080497
-0.00808897 0.00010525 -0.01205343
11.39380479 18.12601517 13.35436524
-0.00010406 -0.00063208 -0.00054177
0.00970780 0.01737131 -0.02798869
11.91182742 15.61355707 14.65369382
-0.00063590 -0.00024256 0.00003069
0.00953617 -0.00352923 -0.00544207
30.74523368 5.45773851 -7.96221727
0.00046258 0.00011988 0.00053231
0.00373298 -0.00118219 -0.00324912
28.96280793 7.56785414 -7.35796903
-0.00111631 -0.00084420 -0.00034322
-0.05906464 0.01558238 0.00786217
-8.42021785 4.85954328 5.64306436
0.00001618 -0.00010775 0.00001111
0.00933691 0.00760648 0.00492681
-10.74381334 10.14558017 3.40671833
0.00004348 -0.00000317 -0.00011856
-0.00198112 -0.00781408 0.00382871
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08391778
0.32060458
427.18953111
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3667135598 (a.u.)
total exchange computation time: 2.7235801220 s
-154.1949983749
-931.40606450
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3660696169 (a.u.)
total exchange computation time: 2.7236001492 s
-154.2007930342
Anderson extrapolation: theta=1.3435442623 (1.3435442623)
-931.40634157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3651285967 (a.u.)
total exchange computation time: 2.7242760658 s
-154.2091017651
Anderson extrapolation: theta=0.0528539604 (0.0528539604)
-931.40650648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3650188456 (a.u.)
total exchange computation time: 2.7232530117 s
-154.2100335508
Anderson extrapolation: theta=1.9904619160 (1.9904619160)
-931.40651303
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3647867217 (a.u.)
total exchange computation time: 2.7222487926 s
-154.2119890588
Anderson extrapolation: theta=0.2340104422 (0.2340104422)
-931.40652033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3647340625 (a.u.)
total exchange computation time: 2.7210409641 s
-154.2124217717
Anderson extrapolation: theta=1.8586933361 (1.8586933361)
-931.40652183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3646600949 (a.u.)
total exchange computation time: 2.7218689919 s
-154.2130172224
Anderson extrapolation: theta=0.2818211735 (0.2818211735)
-931.40652367
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3646625341 (a.u.)
total exchange computation time: 2.7209739685 s
-154.2129860769
Anderson extrapolation: theta=1.2804434035 (1.2804434035)
-931.40652411
-211.614571 121.333521 -35.964361
566.459902 1066.444742 -418.588817
354.845331 1187.778263 -454.553178
1320.360179
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3646821538 (a.u.)
total exchange computation time: 2.7222440243 s
678.83559224
-1083.60670488
89.69847440
-389.17468464
-174.79451940
78.19229742
551.60419304
0.00000000
-931.40652443
5.53667766 -31.24036423 -3.77321046
-0.00024171 -0.00011989 -0.00005354
0.01143844 -0.02147695 0.00245615
-11.85147403 -1.01232533 -11.82177962
-0.00012179 0.00012858 -0.00002802
0.01097812 0.02828990 -0.01965208
-37.91621757 2.32095455 3.32991025
0.00027300 -0.00005771 -0.00014649
-0.01978438 0.02697653 -0.01902515
-9.78249626 -2.75295845 2.48644359
-0.00051936 0.00013562 -0.00007223
0.04671284 -0.01103503 0.03998095
0.76964432 -0.25669762 8.94611239
0.00025001 -0.00019826 -0.00019603
0.01129412 0.00569954 0.04046804
-32.41244553 2.75283516 1.79512276
-0.00003441 -0.00007756 -0.00000563
0.04334453 -0.03177115 0.01376081
13.99984929 13.72797225 -14.40403274
0.00037769 0.00037290 -0.00022674
0.01589750 -0.02355715 -0.02250643
-4.10561516 7.08658579 4.04459581
-0.00042796 -0.00011588 -0.00032296
0.00152956 -0.01383928 -0.01364291
5.80928952 16.70549420 -8.44442052
0.00017122 0.00001213 0.00029840
-0.00311679 0.00257158 0.02289166
6.79684132 7.23765693 -21.03157223
-0.00016363 0.00024005 0.00010553
0.01328082 -0.00936720 -0.00412149
23.39687464 17.11102971 -2.20057748
-0.00030526 0.00000813 0.00030525
0.03361186 -0.00046523 -0.01368152
1.39344124 12.90775545 -20.95869280
0.00010422 0.00011818 0.00027243
-0.00235829 0.01206697 -0.00725902
10.42369684 -3.55402419 -1.67928404
0.00006332 0.00010703 0.00009527
-0.02825506 -0.05065771 -0.01429181
-17.86202142 -2.68507625 4.70719240
0.00018208 -0.00009931 0.00013335
-0.01239486 0.00699027 0.01990390
-15.28660665 0.13391478 18.59164613
0.00001436 -0.00003473 -0.00015272
-0.00001922 -0.01968430 -0.00298261
2.73465890 2.76229887 -2.90413202
-0.00025278 0.00004754 0.00008380
-0.03135257 0.02014833 0.01907365
23.42498070 -7.87457157 -9.65123621
0.00001051 -0.00022602 -0.00025108
0.01053780 0.03980728 0.01127765
1.45770599 -7.92798084 6.71370443
0.00014857 0.00024193 0.00004252
0.00467899 -0.00646345 -0.02477851
-3.70734183 -1.09944452 -18.11136647
0.00030596 0.00043843 0.00032353
0.00192839 0.00817692 0.00322421
3.18284455 4.27380049 -10.64405911
-0.00019018 -0.00003513 0.00027152
0.03200270 -0.01753152 0.03113012
-2.62710323 16.82841137 13.93660432
0.00012089 -0.00009290 0.00009376
-0.03347565 0.02584342 0.02116491
-2.27452277 2.09635786 -7.03774850
0.00001313 0.00016260 0.00016760
0.00728958 -0.02518512 -0.00565110
-6.71048006 -2.02706733 -4.45748042
-0.00011754 0.00007012 -0.00016237
-0.00249189 -0.02588437 -0.00793797
0.36788990 28.25662307 7.33050059
0.00014410 0.00014935 0.00029260
-0.01822248 0.00411785 -0.03646611
10.05918750 -9.13651555 -1.47261826
0.00012930 -0.00002346 -0.00016702
-0.00255613 0.01662925 -0.04273867
-6.84814248 0.43880423 7.59459787
-0.00001368 0.00026341 0.00024976
-0.01667919 -0.00136002 0.03643537
18.71375945 11.70660824 6.34918750
0.00029677 -0.00017602 0.00011306
0.01133528 -0.01137524 0.02168251
-3.31365532 -3.89228340 -23.28061989
-0.00022613 0.00029639 0.00001456
0.02565613 0.01164305 0.02634667
-13.63182062 8.32308283 8.36240802
0.00000966 0.00011432 0.00026260
-0.01131647 -0.01169374 0.00972161
-12.14076880 7.44193634 -2.71493435
-0.00031254 -0.00019067 -0.00034343
0.02366664 0.03685297 0.01186953
-3.36398906 -16.32225784 20.47209186
-0.00048706 -0.00031560 0.00016368
-0.00536064 0.01414987 0.01836333
-3.36237390 6.97583194 -7.88910364
-0.00046673 0.00013160 0.00010915
0.00896878 -0.03164885 -0.04433142
-20.68949632 29.59731611 1.33479115
0.00005998 0.00023385 -0.00008164
0.02833308 -0.00218062 0.00799473
9.83743548 3.18015901 7.49269469
0.00028905 -0.00028689 -0.00007751
-0.00515252 -0.04421055 -0.03953958
6.38243986 14.52942826 -13.07443385
0.00007170 0.00033350 0.00025412
-0.00039209 0.06509392 -0.00880116
14.13027472 3.77328661 -2.81558583
0.00001122 -0.00021904 0.00029620
-0.00758347 -0.01000824 0.03162405
-6.28580310 11.05738325 -0.41157521
0.00012227 -0.00010327 0.00020860
0.01990943 -0.03748120 0.00481311
6.17027900 13.22226158 3.14062328
0.00011608 0.00026617 -0.00008642
-0.06681746 0.04409384 0.01953222
21.90367379 -12.21368383 -11.69117780
-0.00006057 0.00025659 -0.00025848
-0.02736756 -0.02692253 0.01906823
16.72859680 -6.33507191 3.36287128
0.00012271 0.00004446 0.00011277
-0.03815471 -0.02954660 0.03900398
15.31633130 7.18199192 9.81868524
0.00010889 -0.00019388 -0.00028509
-0.02265943 0.01023621 0.00846260
3.03130850 -13.80898862 16.43574149
-0.00011615 0.00030789 -0.00039048
-0.00736740 -0.00735308 -0.02213598
-3.57133918 -1.00116934 -10.79787778
-0.00006369 -0.00041374 -0.00018441
0.02343155 0.04239282 -0.02318736
15.36001022 -7.89707902 -9.53403176
-0.00006931 0.00010343 0.00010271
0.00941920 0.00034136 0.06482189
8.97993312 -3.50812058 6.38847209
0.00031920 -0.00037693 0.00002875
0.00132565 0.00907826 -0.04209547
-21.50551107 1.59356721 24.49556736
-0.00030841 -0.00008625 -0.00013676
0.01202107 0.01383788 0.02059591
24.90645695 -1.73271430 -6.49155656
0.00000004 -0.00003717 0.00003975
0.00384457 -0.00221226 0.00041899
11.73589912 -11.84301562 -10.00755869
0.00026409 -0.00007752 -0.00009666
0.01061549 0.00600504 0.00059617
-4.81366927 -10.29549956 16.58663216
0.00034807 -0.00023857 0.00002041
-0.00136367 -0.00892234 0.01885495
8.16443939 2.36843210 -30.67429022
0.00013444 0.00030651 -0.00056223
0.01629068 -0.01436769 0.00152643
10.90477219 17.10407117 14.71547016
0.00022411 -0.00041614 -0.00022470
-0.01985386 -0.00254512 0.02849671
30.65463000 7.27856213 -7.60341779
0.00012168 -0.00003648 0.00026034
0.04610195 -0.01203901 0.00256735
5.79665487 -30.16022187 -5.18992531
-0.00006836 -0.00038831 0.00055947
-0.00591754 0.01381716 -0.01455092
3.95063947 -30.89401963 -3.00373369
-0.00034496 0.00017181 0.00075644
-0.01222695 0.01388235 0.00691647
-12.49365257 -1.82529677 -13.43239528
-0.00038475 0.00069087 0.00017512
0.00068287 -0.01149706 0.01253152
-11.63673384 0.73122594 -12.56274144
-0.00008030 -0.00017588 0.00081856
-0.00537136 -0.01684300 0.01005533
-38.09675437 3.90776156 2.28388261
-0.00069682 0.00122462 0.00017467
0.01308453 -0.01496523 0.01428667
-39.71070084 1.85697105 3.32162179
-0.00000856 0.00084813 -0.00015542
0.00710303 -0.01076621 0.00605179
-9.76343105 -3.37582886 0.73478288
-0.00011348 -0.00051435 0.00034493
-0.00753268 0.00494857 0.00801120
-8.27066063 -3.54550012 3.43621542
-0.00105538 0.00044151 0.00027278
-0.03578937 0.01451332 -0.03153429
0.12738690 -0.54843871 7.33196433
0.00045023 -0.00062188 0.00080891
-0.00445790 -0.00000102 -0.03659511
1.96310927 1.14388475 8.96728072
0.00000543 0.00033131 0.00029923
-0.00780927 -0.00832108 -0.00527771
-32.22944927 0.98202546 2.49274657
-0.00042438 -0.00008025 -0.00057677
-0.00476411 0.01703903 -0.01861640
-34.09649226 3.20573229 2.05129333
0.00014699 0.00093489 -0.00095096
-0.03527912 0.00465309 0.00188028
12.77811059 12.74577849 -15.36528837
-0.00083851 -0.00044159 -0.00071324
-0.00987153 0.00824641 0.00575848
15.50974058 12.80427775 -15.08321961
-0.00031924 -0.00026691 0.00121272
-0.00572137 0.01728423 0.01846760
-3.96958319 8.82468617 4.73849884
0.00004674 -0.00007635 -0.00059572
0.00345311 -0.00296403 -0.01696292
-3.51129434 6.84731111 2.25103049
-0.00088508 0.00050330 0.00074508
-0.00416593 0.01148472 0.03475447
6.04442227 16.00222165 -10.08624099
0.00056893 -0.00103668 0.00013021
-0.00396677 -0.00918493 -0.02792764
7.57320362 16.90032662 -7.96856255
0.00015174 0.00008886 0.00031409
0.00810161 0.00571541 0.00796804
7.87442593 7.17107318 -22.63295387
-0.00045653 0.00005876 -0.00062596
-0.01127795 0.00485799 0.02041907
7.93759737 7.80866145 -19.67532999
-0.00053303 0.00112699 -0.00000180
-0.00245935 0.00121858 -0.01574739
21.74335482 17.86321050 -2.41045131
-0.00008787 -0.00041913 -0.00041782
-0.00663891 0.00020480 0.00127764
24.59201067 17.96108662 -3.35909272
0.00000333 -0.00048964 -0.00011023
-0.01962904 -0.00570078 0.01066074
1.25677436 11.18197889 -21.47812354
-0.00019458 0.00066598 0.00051133
-0.00700202 -0.01849384 -0.00123885
0.64336429 13.94904052 -22.28799803
-0.00019360 -0.00092206 -0.00004480
0.00805979 -0.00008270 0.00673516
9.75341756 -5.40945932 -1.61696195
0.00017850 0.00102110 -0.00025957
0.02266479 0.04953460 -0.00239761
9.18124086 -2.55043589 -2.62315174
0.00150903 -0.00076168 -0.00149008
0.00291435 -0.00806182 0.00666215
-18.90127208 -4.10752539 5.27719245
0.00065622 0.00020053 0.00010467
0.01050726 0.00134686 -0.01046887
-17.08254694 -3.02257547 3.12868453
-0.00019729 -0.00013139 0.00028308
-0.00642058 -0.01274104 -0.01734215
-15.43055815 0.21390344 16.77142269
0.00007854 0.00047446 0.00021997
0.00258532 0.00040647 -0.00157721
-13.79384250 1.06095056 18.93752315
-0.00002225 -0.00048355 -0.00015940
0.01124715 0.01374563 0.00455654
3.12711399 3.69822832 -4.38449369
-0.00023893 0.00094086 0.00071407
0.00430176 0.00664729 -0.00762442
3.31123528 1.09477593 -3.14569702
-0.00074119 0.00006588 0.00039243
0.01696027 -0.01709637 -0.00673762
22.92683817 -9.45907672 -10.30290724
0.00070317 -0.00024353 -0.00013056
0.00100037 -0.03023171 -0.00916875
24.91307298 -7.86267924 -8.59323062
0.00049809 -0.00015132 0.00037695
-0.00275368 -0.00609180 -0.00707155
2.38798767 -8.90024439 5.43066858
0.00054163 -0.00110418 0.00095299
-0.01196905 0.01177341 0.00780642
2.57549695 -8.02152656 8.12590550
-0.00025486 -0.00127134 0.00110719
0.00667849 0.00506809 0.01362173
-3.79339509 -2.85011870 -17.64480822
0.00110802 -0.00057736 -0.00058837
-0.00014882 -0.00803905 0.00049300
-4.99462808 -0.34433885 -16.96883335
-0.00046517 0.00008699 -0.00022931
0.00691000 -0.00434205 -0.00526876
2.18744072 4.69724827 -12.04287011
-0.00088771 0.00001999 0.00031141
-0.02533592 0.01413655 -0.02444978
2.10888546 3.78862985 -9.26119069
-0.00087830 0.00103450 0.00005315
-0.00977198 0.00355673 -0.00426137
-1.02942800 16.37702405 13.20258998
-0.00039007 0.00040006 -0.00029953
0.02129864 -0.01759080 0.00447864
-2.50934593 17.16123073 15.76337000
-0.00013947 0.00027284 0.00087450
0.00464764 -0.00784628 -0.02328359
-1.68122854 1.11265436 -5.57853038
-0.00042134 0.00036366 0.00002463
-0.01248855 0.00760028 -0.01709879
-2.83147799 0.85793674 -8.45981717
-0.00032370 -0.00076132 -0.00023389
0.00282052 0.01452663 0.02828587
-8.16745216 -3.07336700 -4.93898952
-0.00091637 -0.00120127 0.00051102
0.00730922 0.01103911 0.00657250
-7.35606243 -0.41514610 -3.99342133
0.00024495 0.00039543 0.00046036
-0.00801604 0.01575795 0.00198820
1.39172703 28.34631199 5.73083640
-0.00007588 -0.00042688 -0.00088613
-0.02088488 0.00103322 0.02370000
-1.44097479 28.44816528 6.66986757
-0.00113279 -0.00022917 -0.00050116
0.03378449 -0.00869567 0.00281641
8.34375468 -9.11229434 -2.24253289
0.00017796 -0.00029317 0.00027078
0.00971400 -0.00826853 0.01539646
10.10568609 -10.01384392 0.08234083
0.00020252 0.00009224 0.00016281
-0.00396750 -0.00822516 0.02528431
-5.93757096 0.23389275 9.23904690
-0.00114331 0.00066675 -0.00041216
0.01060586 0.00110489 -0.01778395
-8.45365847 -0.23474286 8.25864215
-0.00022233 0.00018260 0.00022671
0.00334915 0.00106564 -0.01627578
19.74977647 11.22274338 7.89993880
-0.00050697 -0.00017504 0.00115449
-0.01371538 0.01595480 -0.02680969
19.48581767 13.18583433 5.57290763
0.00005820 0.00101135 0.00054112
0.00413006 -0.00796354 0.00945208
-2.81734965 -2.43748673 -22.20582583
0.00155581 0.00114322 0.00000576
-0.01634931 -0.01737555 -0.01339819
-4.79918064 -3.44217124 -24.21246353
-0.00031487 -0.00098233 -0.00030635
-0.01649184 0.01264022 -0.01090967
-12.48959146 9.18275804 9.52000188
0.00002851 -0.00009375 0.00053879
0.00191674 0.00177482 -0.00385126
-13.16139912 8.70675821 6.65446084
0.00014745 -0.00004657 0.00029586
0.01017651 0.01230226 -0.00471375
-12.60604211 7.36965771 -4.48766633
-0.00047899 -0.00033055 -0.00070268
-0.00992673 -0.00029544 -0.01208023
-11.47791554 9.23437301 -2.50227574
-0.00038019 -0.00033641 0.00015209
-0.01757215 -0.03226665 -0.00286510
-4.79766276 -17.34711086 20.01855531
0.00072334 0.00048789 -0.00056139
-0.01612746 -0.00532341 -0.00275439
-1.99201126 -17.02397952 19.58287698
-0.00046879 0.00068445 -0.00077804
0.01943784 -0.00628783 -0.01128391
-3.64494638 5.44228650 -6.95097812
0.00014521 -0.00035853 -0.00040825
0.00622298 -0.00421130 0.00106364
-3.64667256 8.37416350 -6.89682067
-0.00073940 0.00061114 0.00092193
-0.01564827 0.04517879 0.03843548
-21.19796908 28.20940351 0.23266071
0.00014894 -0.00033290 0.00093498
0.01044535 0.00728365 0.01068028
-18.79728082 29.43551132 1.65187320
-0.00052590 0.00041138 -0.00093255
-0.03295492 0.00086521 -0.01860214
8.64653324 2.47849090 6.13497259
-0.00152256 0.00005304 0.00004270
0.01662168 0.01915232 0.02699456
9.22475702 4.79126448 7.93922916
-0.00015158 0.00047184 0.00051414
-0.01652832 0.03354105 0.01179597
7.11400257 15.14809129 -14.66475575
-0.00009736 0.00110520 0.00198245
-0.00221066 0.00202111 0.01220534
6.50891441 12.82280943 -13.17363161
0.00128791 -0.00014241 0.00019859
0.00745577 -0.07045248 -0.00281050
13.26389845 5.25738144 -3.49761496
-0.00041374 0.00034556 -0.00013154
-0.00054212 -0.01179911 0.01412693
13.38432966 3.38845214 -1.02721624
-0.00047794 -0.00147116 -0.00071364
0.00934784 0.01491802 -0.04234970
-5.25475289 9.49429697 0.00309497
0.00076160 -0.00011729 -0.00071445
-0.01932679 0.03410629 -0.01252228
-7.99922253 10.42638378 -0.17782280
-0.00004068 -0.00138494 -0.00096806
0.00470902 0.00705943 0.00559972
4.60287309 12.84098825 2.19145852
0.00016225 0.00082195 0.00019705
0.01245496 0.00827541 0.00513927
7.38200902 12.15890990 2.58173924
0.00100721 0.00026255 0.00007817
0.05256258 -0.04574884 -0.01922612
20.78628162 -12.90084720 -10.29314499
0.00077766 -0.00017736 0.00072108
0.01865005 0.00605255 -0.02797234
22.19721195 -13.69899055 -12.85150905
0.00084720 -0.00041963 -0.00037029
0.00526053 0.01561686 0.01243504
17.97812655 -5.99185245 2.19220981
-0.00023591 0.00009193 -0.00043622
0.02715955 0.00124854 -0.04271981
16.20604297 -8.14591140 3.21974029
0.00070002 0.00026124 -0.00063146
0.00938740 0.03199736 -0.00551569
14.16628546 8.22218526 10.93022491
0.00065167 -0.00039785 -0.00016048
0.01558820 -0.00970271 -0.02201297
16.58880579 6.60533737 10.97470268
0.00014734 -0.00017376 -0.00057790
0.00585639 -0.00081357 0.00698437
2.20826072 -13.15320680 14.92383837
-0.00165636 -0.00090527 0.00035628
0.00117412 -0.01025030 0.00538827
3.58008583 -12.29414504 17.22399816
0.00002129 -0.00028614 0.00082082
0.01102331 0.01280935 0.01319371
-3.47905271 -2.66848635 -10.10787660
-0.00014625 -0.00008206 0.00051162
0.00556376 -0.02021559 0.01072261
-1.86478741 -0.55079495 -11.65388377
0.00010658 -0.00081050 -0.00033635
-0.02662059 -0.01619972 0.01269749
15.03612735 -7.64083278 -11.22356725
0.00074918 -0.00013010 -0.00057804
-0.01101997 0.00430412 -0.05951502
16.91605273 -6.97579773 -9.01989037
0.00069113 0.00018074 -0.00086396
-0.00730888 -0.00538203 -0.00497097
7.38892782 -2.85114970 5.60637937
0.00129971 -0.00070560 -0.00021926
0.00560851 -0.00984262 0.02191510
10.08829500 -3.48286471 4.82220666
0.00094178 -0.00131728 -0.00018464
-0.00515885 -0.00274183 0.02454572
-21.37488417 1.18124279 22.77330933
0.00103273 -0.00055714 0.00030806
0.00187453 -0.00376269 -0.02356112
-22.89327339 0.65251049 25.17644193
-0.00035465 0.00043414 -0.00063811
-0.01201162 -0.00731688 0.00345691
25.61417224 -2.71887389 -7.88234940
0.00027848 0.00061250 -0.00082807
0.00011655 0.00052703 0.00383463
23.66747317 -0.58390536 -7.14298675
-0.00005248 -0.00021401 -0.00048509
-0.00236590 -0.00067995 -0.00702788
11.33074475 -12.98756332 -8.63718120
-0.00032687 -0.00065934 0.00006193
-0.00829363 0.00868775 0.00176563
12.62661280 -10.32325278 -9.40781538
0.00074277 0.00049516 0.00000452
-0.00217527 -0.01601013 -0.00573561
-5.48116218 -10.41023791 18.33693288
-0.00063799 0.00022198 -0.00094508
0.00355569 -0.00018931 -0.01511987
-6.18164629 -9.89381916 15.44232317
-0.00089684 -0.00009321 -0.00033707
0.00299858 0.00128310 0.00231194
9.09938644 1.16485889 -31.79119663
0.00079669 0.00033732 -0.00006261
-0.01514466 0.00625995 0.00987297
6.53696999 2.60847225 -31.41958867
0.00056458 0.00041057 -0.00085636
-0.01009890 0.00014410 -0.01310123
11.39254134 18.11706622 13.34538105
-0.00006464 -0.00056269 -0.00065468
0.00959054 0.01659548 -0.02728031
11.90258119 15.60981050 14.65398737
-0.00059117 -0.00026531 0.00000775
0.01235679 -0.00760693 -0.00578391
30.75228683 5.45950054 -7.95433225
0.00047847 0.00011207 0.00051806
0.00404476 -0.00264043 -0.00372212
28.94425339 7.55566870 -7.36287641
-0.00133550 -0.00078407 -0.00031467
-0.04823028 0.01384829 0.00611088
-8.41995004 4.85794737 5.64324428
0.00001949 -0.00010505 0.00001285
0.00911828 0.00748781 0.00479431
-10.74316456 10.14551897 3.40494664
0.00004300 -0.00000498 -0.00011765
-0.00217162 -0.00772405 0.00400415
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08368621
0.32283822
430.16573669
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3580371902 (a.u.)
total exchange computation time: 2.7223160267 s
-154.1518989622
-931.40913838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3574892342 (a.u.)
total exchange computation time: 2.7209901810 s
-154.1567723750
Anderson extrapolation: theta=1.3439617182 (1.3439617182)
-931.40940430
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3566579457 (a.u.)
total exchange computation time: 2.7208681107 s
-154.1639154353
Anderson extrapolation: theta=0.0525035851 (0.0525035851)
-931.40956188
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3565365680 (a.u.)
total exchange computation time: 2.7238800526 s
-154.1648497310
Anderson extrapolation: theta=1.9738700087 (1.9738700087)
-931.40956780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3562698646 (a.u.)
total exchange computation time: 2.7212638855 s
-154.1668554456
Anderson extrapolation: theta=0.2282679812 (0.2282679812)
-931.40957391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3561995682 (a.u.)
total exchange computation time: 2.7207491398 s
-154.1673415070
Anderson extrapolation: theta=1.8381316374 (1.8381316374)
-931.40957502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3560880941 (a.u.)
total exchange computation time: 2.7220218182 s
-154.1680622198
Anderson extrapolation: theta=0.2753668462 (0.2753668462)
-931.40957620
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3560763682 (a.u.)
total exchange computation time: 2.7209079266 s
-154.1680888911
Anderson extrapolation: theta=1.2793104937 (1.2793104937)
-931.40957645
-211.618210 121.345676 -36.015646
566.453041 1066.438778 -418.583169
354.834831 1187.784454 -454.598815
1320.378639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1406381828
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3560762561 (a.u.)
total exchange computation time: 2.7231819630 s
678.70046627
-1083.31482296
89.70734541
-389.37490932
-174.77157972
78.02887251
551.60419304
0.00000000
-931.40957658
5.53309618 -31.24224545 -3.77400407
-0.00023700 -0.00013158 -0.00005068
0.00684661 -0.02398814 0.00864532
-11.85325855 -1.01028749 -11.82227572
-0.00011611 0.00014243 -0.00003742
0.01109749 0.02554948 -0.01688793
-37.91219895 2.32019298 3.32763950
0.00026239 -0.00004266 -0.00015690
-0.02146579 0.03155235 -0.02147202
-9.79010651 -2.75096666 2.48551434
-0.00049574 0.00013013 -0.00005165
0.04513288 -0.01033917 0.04006041
0.77343808 -0.25964960 8.94332806
0.00025679 -0.00019466 -0.00017307
0.01507508 0.00830119 0.04880155
-32.41279442 2.75154925 1.79509144
-0.00001214 -0.00009350 0.00000120
0.04322319 -0.03021343 0.01277162
14.00557602 13.73347483 -14.40752059
0.00038304 0.00035996 -0.00023902
0.00490118 -0.02675470 -0.02526315
-4.11202860 7.08479426 4.03969885
-0.00042764 -0.00012260 -0.00032817
-0.00029447 -0.01229017 -0.00664915
5.81184583 16.70568604 -8.43985621
0.00016981 0.00001291 0.00030892
-0.00236136 0.00045270 0.01802812
6.79443804 7.24122159 -21.03000518
-0.00015683 0.00023514 0.00010287
0.01316341 -0.00971823 -0.00622759
23.39242535 17.11114988 -2.19605153
-0.00028729 0.00000779 0.00029809
0.03629254 -0.00086667 -0.01416340
1.39499548 12.90957471 -20.95463440
0.00010315 0.00012508 0.00026902
-0.00182359 0.01475796 -0.00598307
10.42453766 -3.55261415 -1.67791015
0.00004977 0.00008139 0.00008826
-0.02442803 -0.04903815 -0.01297633
-17.85933804 -2.68653889 4.70926944
0.00017597 -0.00009497 0.00014375
-0.01136230 0.00987108 0.02053964
-15.28639139 0.13331789 18.58934387
0.00001404 -0.00004506 -0.00015379
-0.00122606 -0.02047842 -0.00120366
2.73074629 2.76308963 -2.90280141
-0.00026909 0.00005829 0.00009391
-0.03208233 0.02168746 0.02024677
23.42517900 -7.87780831 -9.65495890
0.00001722 -0.00020527 -0.00024430
0.01554472 0.04089045 0.01507258
1.45995258 -7.92437684 6.71424670
0.00015223 0.00023816 0.00003075
0.00956644 -0.00820931 -0.02100809
-3.70274506 -1.09283648 -18.10650115
0.00030689 0.00044130 0.00032538
0.00169589 0.00298834 0.00400530
3.18011532 4.27320594 -10.63986623
-0.00017458 -0.00004383 0.00028655
0.02866578 -0.01629584 0.02731319
-2.62541904 16.82711757 13.93809233
0.00010296 -0.00007922 0.00010610
-0.03623119 0.02734059 0.02683391
-2.27429776 2.09869967 -7.03525623
0.00001632 0.00014935 0.00016344
0.00513463 -0.02633763 -0.01056073
-6.71225281 -2.02611531 -4.45994653
-0.00012037 0.00005620 -0.00016674
-0.00849044 -0.02825469 -0.00905413
0.36998117 28.25887923 7.33474891
0.00013367 0.00015155 0.00027221
-0.02236024 0.00442959 -0.04279974
10.06111715 -9.13680332 -1.47528835
0.00012829 -0.00001534 -0.00018822
-0.00137663 0.01496069 -0.03971504
-6.84841204 0.44275020 7.59848481
-0.00002353 0.00026276 0.00026718
-0.02163133 -0.00117896 0.03129231
18.71825478 11.70392406 6.35096704
0.00030310 -0.00018106 0.00012407
0.01326645 -0.00823400 0.02114300
-3.31694829 -3.88779265 -23.28029980
-0.00021208 0.00030320 0.00002907
0.02898779 0.01484150 0.03006352
-13.63171934 8.32475255 8.36638454
0.00000388 0.00010833 0.00026771
-0.01117296 -0.01159333 0.01015807
-12.14536561 7.43921847 -2.72004008
-0.00030067 -0.00017210 -0.00033784
0.02247573 0.03537013 0.00989798
-3.37131562 -16.32693725 20.47461788
-0.00048762 -0.00030727 0.00017346
0.00317571 0.01824412 0.01965866
-3.36934031 6.97768393 -7.88763738
-0.00046247 0.00011744 0.00008776
0.00759887 -0.02342866 -0.03886014
-20.68848735 29.60081548 1.33359741
0.00007368 0.00023292 -0.00007754
0.02493853 -0.00143399 0.00795846
9.84175143 3.17568519 7.49137947
0.00028473 -0.00030765 -0.00009785
-0.01165994 -0.03653940 -0.03953454
6.38351388 14.53468186 -13.07065606
0.00007056 0.00036402 0.00025169
-0.00403871 0.05358975 -0.00062417
14.13041371 3.76996245 -2.81102083
0.00000685 -0.00022315 0.00031113
-0.00939243 -0.00600525 0.02642992
-6.28389222 11.05568961 -0.40842761
0.00013182 -0.00012289 0.00021106
0.01720951 -0.03881900 0.00473425
6.17176249 13.22642424 3.13940233
0.00008372 0.00028772 -0.00007666
-0.05901399 0.03971324 0.01840921
21.90265960 -12.20993886 -11.69498140
-0.00007456 0.00024190 -0.00024880
-0.02701579 -0.03020977 0.01857957
16.73029034 -6.33451902 3.36471332
0.00010388 0.00002981 0.00013229
-0.03508785 -0.02740921 0.03688398
15.31787726 7.17912320 9.81444156
0.00009742 -0.00018883 -0.00028119
-0.02196377 0.00938469 0.00670578
3.02953788 -13.80439864 16.42979892
-0.00011952 0.00030358 -0.00040104
-0.00575717 -0.00941440 -0.01892214
-3.57220408 -1.00721193 -10.80073332
-0.00005148 -0.00039196 -0.00019618
0.02403867 0.04231155 -0.02260132
15.35900697 -7.89552629 -9.53224106
-0.00006419 0.00010427 0.00013443
0.01046474 0.00294752 0.05852317
8.98472617 -3.51373958 6.38874101
0.00032133 -0.00037285 0.00000717
0.00696872 0.00682091 -0.04185332
-21.51009082 1.59232687 24.49359536
-0.00030163 -0.00007854 -0.00012613
0.01432538 0.01615359 0.02075080
24.90647232 -1.73328045 -6.49095873
0.00000205 -0.00003854 0.00003907
0.00400042 -0.00311349 -0.00306118
11.73990144 -11.84415518 -10.00900634
0.00026980 -0.00007424 -0.00009531
0.01157164 0.00674487 0.00466660
-4.80845349 -10.29911253 16.58701105
0.00034565 -0.00024259 0.00002788
-0.00806156 -0.00671133 0.01020986
8.16651881 2.37297431 -30.68271783
0.00014331 0.00029912 -0.00056112
0.01821773 -0.01437433 0.00281475
10.90805720 17.09781932 14.71220957
0.00021339 -0.00041603 -0.00021036
-0.02183472 0.00296011 0.02726233
30.65663297 7.27796854 -7.59950272
0.00014209 -0.00004181 0.00026223
0.03328854 -0.00871781 0.00475882
5.79544821 -30.16562305 -5.18197919
-0.00009159 -0.00032552 0.00049234
-0.00545502 0.01691557 -0.01830928
3.94509042 -30.89101709 -2.99217510
-0.00038657 0.00022714 0.00078021
-0.00814040 0.01320126 0.00471799
-12.49940283 -1.81528601 -13.42938453
-0.00038247 0.00064234 0.00022386
0.00043011 -0.01226044 0.01132629
-11.63810300 0.72807157 -12.55015489
-0.00010121 -0.00023813 0.00085586
-0.00486415 -0.01362716 0.00820397
-38.10680577 3.92567231 2.28694045
-0.00063982 0.00115598 0.00023758
0.01482084 -0.01863539 0.01650742
-39.71061156 1.86936305 3.31947595
0.00002081 0.00080236 -0.00012984
0.00727479 -0.01163735 0.00646787
-9.76536413 -3.38339246 0.74020226
-0.00014405 -0.00049425 0.00037571
-0.00742723 0.00488863 0.00705739
-8.28758810 -3.53843280 3.43934088
-0.00119731 0.00049912 0.00014611
-0.03368391 0.01368924 -0.03047247
0.13400368 -0.55776688 7.34297661
0.00042654 -0.00062420 0.00064342
-0.00713822 -0.00113862 -0.04441181
1.96295136 1.14859941 8.97160743
-0.00002891 0.00029431 0.00027674
-0.00900101 -0.00978869 -0.00573303
-32.23596099 0.98134391 2.48352458
-0.00044504 -0.00001263 -0.00065075
-0.00534622 0.01606008 -0.01759943
-34.09536840 3.21989816 2.03708655
0.00000391 0.00095284 -0.00094299
-0.03476242 0.00413620 0.00202228
12.76523050 12.73940738 -15.37581057
-0.00086325 -0.00039695 -0.00067952
-0.00223850 0.01360497 0.01074922
15.50477667 12.80080376 -15.06446287
-0.00033557 -0.00020087 0.00128275
-0.00227049 0.01504232 0.01581312
-3.96877628 8.82345006 4.72904326
0.00006023 -0.00008809 -0.00066330
0.00314919 -0.00278325 -0.01611691
-3.52469825 6.85521249 2.26327170
-0.00089732 0.00054690 0.00087242
-0.00182619 0.00985753 0.02757836
6.05283473 15.98639001 -10.08514368
0.00055141 -0.00106981 0.00002572
-0.00461054 -0.00703520 -0.02321932
7.57572796 16.90183473 -7.96360699
0.00018425 0.00011216 0.00034657
0.00781401 0.00568871 0.00792728
7.86723233 7.17210343 -22.64171758
-0.00050332 0.00007900 -0.00053843
-0.01162450 0.00505039 0.02242620
7.92952661 7.82560369 -19.67583951
-0.00054191 0.00113160 -0.00006630
-0.00188767 0.00103624 -0.01582857
21.74183335 17.85692988 -2.41667950
-0.00011842 -0.00041663 -0.00041304
-0.00831667 0.00101892 0.00106131
24.59145919 17.95356739 -3.36041955
-0.00007855 -0.00051362 -0.00006524
-0.02045542 -0.00604082 0.01136451
1.25364116 11.19140194 -21.47049161
-0.00022306 0.00058144 0.00050508
-0.00693968 -0.02288948 -0.00181667
0.64070727 13.93520708 -22.28846359
-0.00016215 -0.00091850 -0.00001892
0.00733274 0.00182608 0.00593079
9.75678957 -5.39262487 -1.62092904
0.00026832 0.00121447 -0.00026867
0.02130233 0.04511826 -0.00205610
9.20396568 -2.56210809 -2.64529881
0.00151534 -0.00078908 -0.00146663
0.00017376 -0.00535406 0.00481641
-18.89110686 -4.10447617 5.27844174
0.00069465 0.00020038 0.00006452
0.00830503 -0.00142075 -0.00918685
-17.08570297 -3.02493675 3.13239933
-0.00022124 -0.00018378 0.00020861
-0.00530455 -0.01290355 -0.01911141
-15.42930075 0.22103285 16.77467394
0.00008778 0.00047611 0.00020801
0.00193556 0.00039737 -0.00427838
-13.79383161 1.05411855 18.93527171
0.00002711 -0.00042551 -0.00013916
0.01291667 0.01466321 0.00535385
3.12366190 3.71254499 -4.37401632
-0.00022068 0.00096649 0.00068229
0.00463100 0.00589588 -0.00793151
3.30063718 1.09524025 -3.14001700
-0.00067056 -0.00000581 0.00036261
0.01761107 -0.01799488 -0.00786071
22.93741637 -9.46365599 -10.30514652
0.00070619 -0.00036951 -0.00016905
0.00047815 -0.03144082 -0.00967599
24.92045999 -7.86513576 -8.58779300
0.00047763 -0.00017566 0.00034156
-0.00726440 -0.00582247 -0.01025495
2.39574532 -8.91644635 5.44520258
0.00049059 -0.00105363 0.00098581
-0.01301323 0.01297311 0.00826226
2.57187864 -8.04044137 8.14293076
-0.00023550 -0.00124899 0.00115422
0.00280072 0.00587500 0.00939832
-3.77677936 -2.85902537 -17.65361859
0.00110648 -0.00059767 -0.00058816
-0.00060231 -0.00190334 -0.00039274
-5.00139386 -0.34316709 -16.97243449
-0.00043566 0.00006718 -0.00025046
0.00753411 -0.00535327 -0.00508458
2.17334872 4.69798137 -12.03894818
-0.00098512 0.00007618 0.00021691
-0.02234735 0.01336494 -0.02180886
2.09541149 3.80425637 -9.26052401
-0.00091735 0.00104797 0.00003798
-0.00934215 0.00303386 -0.00316394
-1.03462638 16.38248597 13.19823421
-0.00029766 0.00032709 -0.00028234
0.02393518 -0.01812838 0.00393658
-2.51129563 17.16508290 15.77577395
-0.00012021 0.00023856 0.00076870
0.00478356 -0.00893360 -0.02850422
-1.68793138 1.11834209 -5.57868486
-0.00047012 0.00039182 -0.00004034
-0.01138845 0.00618845 -0.01470586
-2.83624701 0.84696204 -8.46245869
-0.00031026 -0.00069702 -0.00011455
0.00375788 0.01694829 0.03013120
-8.18097370 -3.09104779 -4.93112284
-0.00087516 -0.00114533 0.00054156
0.01286204 0.01634397 0.00837806
-7.35263377 -0.40873176 -3.98645493
0.00021300 0.00045355 0.00046661
-0.00762329 0.01269052 0.00106709
1.38994889 28.33994052 5.71827071
-0.00016490 -0.00042248 -0.00078142
-0.02269289 0.00112002 0.02755571
-1.45693137 28.44446131 6.66243647
-0.00098291 -0.00026512 -0.00048455
0.03958262 -0.00890376 0.00531675
8.34672171 -9.11694525 -2.23799944
0.00021509 -0.00032632 0.00033197
0.00846039 -0.00795977 0.01455752
10.10860228 -10.01271240 0.08555780
0.00018681 0.00006120 0.00026147
-0.00372422 -0.00696770 0.02301099
-5.95439566 0.24392791 9.23231957
-0.00109183 0.00067028 -0.00047322
0.01459307 0.00062324 -0.01210539
-8.45689085 -0.23197113 8.26154400
-0.00020738 0.00018784 0.00015853
0.00397045 0.00149547 -0.01709747
19.74175161 11.22060674 7.91643464
-0.00056316 -0.00010888 0.00104143
-0.01379125 0.01642714 -0.02853576
19.48681730 13.20076063 5.58131411
0.00007148 0.00097061 0.00058431
0.00237047 -0.01198082 0.01168809
-2.79451351 -2.42087093 -22.20614996
0.00148186 0.00106227 -0.00005800
-0.01985025 -0.02224576 -0.01781496
-4.80440906 -3.45651883 -24.21739311
-0.00038201 -0.00092724 -0.00034943
-0.01637446 0.01432668 -0.01017835
-12.48910503 9.18140621 9.52796569
0.00003605 -0.00008688 0.00052215
0.00177356 0.00158545 -0.00429291
-13.15887549 8.70643659 6.65875432
0.00018926 0.00000371 0.00027654
0.01028830 0.01231364 -0.00474589
-12.61353113 7.36469039 -4.49857672
-0.00051800 -0.00033041 -0.00074662
-0.00917172 0.00036525 -0.00942652
-11.48415691 9.22833818 -2.50008217
-0.00045149 -0.00046628 0.00013941
-0.01732846 -0.03130822 -0.00334298
-4.78730680 -17.33995562 20.01005006
0.00064213 0.00045573 -0.00057648
-0.02362489 -0.01042086 -0.00463065
-1.99844746 -17.01390538 19.57086068
-0.00039091 0.00066085 -0.00082254
0.01868236 -0.00526779 -0.01049964
-3.64257760 5.43677949 -6.95706925
0.00017060 -0.00037499 -0.00040370
0.00620548 -0.00384524 0.00116500
-3.65824300 8.38471501 -6.88181391
-0.00080014 0.00077832 0.00106729
-0.01408630 0.03665861 0.03271789
-21.19541495 28.20463319 0.24701276
0.00018929 -0.00030564 0.00097615
0.00930681 0.00606210 0.00947110
-18.80617921 29.44170857 1.63731488
-0.00065179 0.00041496 -0.00100554
-0.02866716 0.00088522 -0.01712611
8.62420425 2.47987340 6.13644025
-0.00144830 0.00013300 0.00015687
0.01972446 0.01998862 0.02889427
9.22197677 4.79936992 7.94730272
-0.00021196 0.00059210 0.00055799
-0.01302507 0.02532695 0.00966925
7.11247442 15.16473121 -14.63464492
-0.00009890 0.00111925 0.00201562
0.00145539 0.00485794 0.00402908
6.52846150 12.81851436 -13.17073892
0.00131850 -0.00041284 0.00018732
0.00752137 -0.06192371 -0.00270494
13.25767578 5.26220323 -3.49915510
-0.00041126 0.00028796 -0.00006888
0.00175626 -0.01639715 0.01654335
13.37744707 3.36684184 -1.03921857
-0.00044099 -0.00140874 -0.00088142
0.00873971 0.01563604 -0.03977952
-5.24392105 9.49358270 -0.00800546
0.00068182 0.00002244 -0.00076535
-0.01973075 0.03429498 -0.01239501
-7.99968849 10.40582600 -0.19217214
-0.00001518 -0.00135369 -0.00094550
0.00777558 0.00823893 0.00544561
4.60568851 12.85357105 2.19457169
0.00021088 0.00085337 0.00021515
0.01134926 0.00710360 0.00372485
7.39872780 12.16144625 2.58232271
0.00120837 0.00008666 0.00000493
0.04590840 -0.04035043 -0.01662880
20.79851804 -12.90332216 -10.28318602
0.00085467 -0.00015163 0.00060353
0.01904729 0.00654202 -0.02956854
22.21008116 -13.70480643 -12.85668232
0.00086645 -0.00035051 -0.00031577
0.00416376 0.01821657 0.01425371
17.97542022 -5.99043527 2.18435740
-0.00012844 0.00009776 -0.00060773
0.02544398 0.00160491 -0.04123450
16.21683096 -8.14101236 3.21009934
0.00073577 0.00038681 -0.00065269
0.00811091 0.02947325 -0.00487621
14.17653821 8.21592016 10.92714317
0.00071192 -0.00043483 -0.00024800
0.01390570 -0.00839681 -0.02083079
16.59119531 6.60270606 10.96624822
0.00017321 -0.00017800 -0.00054811
0.00680707 -0.00126102 0.00759515
2.18345127 -13.16709990 14.92934765
-0.00165217 -0.00094205 0.00037597
0.00087703 -0.00775364 0.00425024
3.58074294 -12.29804468 17.23671480
0.00006397 -0.00023469 0.00087045
0.00986870 0.01237963 0.01109676
-3.48107602 -2.67033673 -10.09987372
-0.00012352 -0.00016439 0.00055527
0.00556377 -0.02008398 0.01064684
-1.86400444 -0.56344884 -11.65853997
-0.00000260 -0.00087616 -0.00028400
-0.02682571 -0.01594065 0.01293189
15.04702742 -7.64265244 -11.23406164
0.00070509 -0.00011560 -0.00080942
-0.01056628 0.00279667 -0.05374423
16.92619565 -6.97325162 -9.03300212
0.00065768 0.00015623 -0.00088260
-0.00906349 -0.00661397 -0.00415029
7.40859533 -2.86203526 5.60376206
0.00131428 -0.00074196 -0.00013415
0.00152173 -0.00795969 0.01974605
10.10226356 -3.50270796 4.82018929
0.00091697 -0.00132735 -0.00008054
-0.00698199 -0.00218416 0.02640999
-21.35933572 1.17277042 22.77720825
0.00104074 -0.00057346 0.00020920
0.00204559 -0.00422475 -0.02483336
-22.89896125 0.65879843 25.16697618
-0.00040871 0.00040081 -0.00062143
-0.01444849 -0.00900065 0.00470931
25.61835302 -2.70967028 -7.89465295
0.00027753 0.00061663 -0.00080690
-0.00058054 0.00149357 0.00652653
23.66661354 -0.58713634 -7.15047846
-0.00006127 -0.00021704 -0.00051192
-0.00193746 -0.00080376 -0.00610518
11.32558756 -12.99718724 -8.63619809
-0.00035821 -0.00061737 0.00006294
-0.00704656 0.01185696 -0.00127240
12.63768770 -10.31631604 -9.40792331
0.00072933 0.00042185 -0.00002113
-0.00440490 -0.01987570 -0.00682289
-5.49062304 -10.40691405 18.32229342
-0.00062385 0.00022013 -0.00099808
0.00336463 -0.00071266 -0.01082721
-6.19500707 -9.89517795 15.43733799
-0.00086998 -0.00009143 -0.00031897
0.01015075 -0.00041462 0.00654681
9.11087267 1.17011051 -31.79183327
0.00073349 0.00036301 -0.00002220
-0.01578889 0.00631638 0.00990973
6.54512920 2.61463518 -31.43283556
0.00052018 0.00041116 -0.00091155
-0.01163179 0.00014497 -0.01391258
11.39186565 18.10913435 13.33472496
-0.00002648 -0.00049809 -0.00076245
0.00908582 0.01503023 -0.02547784
11.89409226 15.60559773 14.65392644
-0.00053540 -0.00030419 -0.00001654
0.01494635 -0.01142429 -0.00610621
30.75958786 5.46110074 -7.94667535
0.00049547 0.00009843 0.00050195
0.00427778 -0.00403763 -0.00416553
28.92274300 7.54433196 -7.36740928
-0.00150710 -0.00073134 -0.00029341
-0.03576979 0.01196528 0.00429964
-8.41963328 4.85639167 5.64344995
0.00002271 -0.00010240 0.00001454
0.00889370 0.00734242 0.00465747
-10.74252333 10.14543088 3.40318889
0.00004247 -0.00000676 -0.00011670
-0.00237015 -0.00761137 0.00419546
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08371477
0.32586181
434.19452299
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3490134298 (a.u.)
total exchange computation time: 2.7646389008 s
-154.1105274971
-931.41260982
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3486221072 (a.u.)
total exchange computation time: 2.7627880573 s
-154.1141970543
Anderson extrapolation: theta=1.3603759761 (1.3603759761)
-931.41286657
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3480074662 (a.u.)
total exchange computation time: 2.7658450603 s
-154.1197198030
Anderson extrapolation: theta=0.0579869015 (0.0579869015)
-931.41302229
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3479046594 (a.u.)
total exchange computation time: 2.7651028633 s
-154.1205425138
Anderson extrapolation: theta=2.0755422770 (2.0000000000)
-931.41302912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3476775927 (a.u.)
total exchange computation time: 2.7639901638 s
-154.1223164637
Anderson extrapolation: theta=0.2695652675 (0.2695652675)
-931.41303694
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3476126883 (a.u.)
total exchange computation time: 2.7647140026 s
-154.1227866990
Anderson extrapolation: theta=1.5294554991 (1.5294554991)
-931.41303858
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3475319125 (a.u.)
total exchange computation time: 2.7638630867 s
-154.1233304107
Anderson extrapolation: theta=0.3254390421 (0.3254390421)
-931.41304021
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3475251184 (a.u.)
total exchange computation time: 2.7645640373 s
-154.1233333055
Anderson extrapolation: theta=1.1084725172 (1.1084725172)
-931.41304064
-211.627434 121.358812 -36.067862
566.445259 1066.433427 -418.580802
354.817825 1187.792239 -454.648665
1320.398235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1405949162
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3475325101 (a.u.)
total exchange computation time: 2.7633628845 s
678.56156783
-1083.01910680
89.71794989
-389.57762626
-174.74829308
77.86387313
551.60419304
0.00000000
-931.41304093
5.52956753 -31.24431172 -3.77473098
-0.00023472 -0.00014443 -0.00004477
0.00203261 -0.02598200 0.01435306
-11.85495746 -1.00805255 -11.82290211
-0.00011039 0.00015471 -0.00004532
0.01114586 0.02222232 -0.01385869
-37.90834592 2.31967482 3.32520310
0.00025097 -0.00002541 -0.00016844
-0.02294365 0.03551066 -0.02339288
-9.79736858 -2.74905464 2.48489415
-0.00047318 0.00012511 -0.00003118
0.04262132 -0.00917069 0.03954420
0.77734813 -0.26253754 8.94092022
0.00026530 -0.00018987 -0.00014627
0.01798978 0.01034930 0.05542574
-32.41280986 2.75003026 1.79515864
0.00000961 -0.00010836 0.00000751
0.04138691 -0.02759851 0.01179710
14.01134055 13.73877101 -14.41120334
0.00038283 0.00034565 -0.00025251
-0.00573886 -0.02889493 -0.02720312
-4.11844431 7.08290791 4.03475060
-0.00042836 -0.00012849 -0.00032949
-0.00250743 -0.01063935 0.00151215
5.81438393 16.70588137 -8.43515283
0.00016887 0.00001253 0.00031685
-0.00130753 -0.00192628 0.01277852
6.79213632 7.24471127 -21.02848618
-0.00015019 0.00023005 0.00009918
0.01268514 -0.01010242 -0.00813081
23.38825605 17.11126337 -2.19163484
-0.00026813 0.00000721 0.00029077
0.03818602 -0.00138011 -0.01428504
1.39653564 12.91150783 -20.95062217
0.00010236 0.00013316 0.00026626
-0.00125327 0.01668151 -0.00474215
10.42519002 -3.55158243 -1.67663637
0.00003830 0.00005694 0.00008194
-0.02018747 -0.04605944 -0.01157209
-17.85674231 -2.68792538 4.71150494
0.00017052 -0.00008914 0.00015429
-0.00983526 0.01280600 0.02042344
-15.28618558 0.13256303 18.58703232
0.00001324 -0.00005570 -0.00015394
-0.00185418 -0.02091404 0.00064533
2.72658617 2.76404770 -2.90131460
-0.00028568 0.00006969 0.00010451
-0.03244069 0.02261436 0.02094737
23.42549722 -7.88072959 -9.65856531
0.00002627 -0.00018428 -0.00023580
0.01965796 0.04072732 0.01800586
1.46227296 -7.92083617 6.71462690
0.00015836 0.00023350 0.00002108
0.01426684 -0.00989121 -0.01658575
-3.69813519 -1.08620539 -18.10160494
0.00030776 0.00044149 0.00032760
0.00169475 -0.00226049 0.00459254
3.17760724 4.27248567 -10.63546264
-0.00016091 -0.00005182 0.00029939
0.02447330 -0.01476718 0.02262235
-2.62401437 16.82603468 13.93978735
0.00008383 -0.00006488 0.00012101
-0.03815513 0.02844325 0.03113610
-2.27403313 2.10083829 -7.03284542
0.00001839 0.00013564 0.00015670
0.00289317 -0.02695086 -0.01561652
-6.71409107 -2.02538126 -4.46248249
-0.00012613 0.00004133 -0.00017154
-0.01391921 -0.02956245 -0.00962183
0.37189993 28.26116956 7.33866704
0.00012126 0.00015385 0.00024885
-0.02589368 0.00451828 -0.04804150
10.06303617 -9.13697568 -1.47826483
0.00012798 -0.00000820 -0.00020760
0.00017717 0.01280963 -0.03565457
-6.84884849 0.44668707 7.60261317
-0.00003591 0.00026225 0.00028175
-0.02648747 -0.00080614 0.02536963
18.72285245 11.70117636 6.35290969
0.00031028 -0.00018450 0.00013473
0.01467283 -0.00513942 0.02031473
-3.32001764 -3.88318739 -23.27974779
-0.00019658 0.00031150 0.00004519
0.03126850 0.01745005 0.03260960
-13.63170426 8.32633283 8.37043942
-0.00000180 0.00010242 0.00027296
-0.01090816 -0.01139357 0.01023157
-12.14978902 7.43677348 -2.72506946
-0.00028952 -0.00015450 -0.00033336
0.02091123 0.03304311 0.00751816
-3.37861769 -16.33147590 20.47729555
-0.00048369 -0.00029697 0.00018377
0.01209771 0.02181571 0.02044800
-3.37624810 6.97935517 -7.88647092
-0.00045899 0.00010777 0.00006943
0.00595784 -0.01417521 -0.03241345
-20.68728598 29.60430379 1.33246507
0.00008542 0.00023246 -0.00007345
0.02073253 -0.00035323 0.00791888
9.84597742 3.17092948 7.48975925
0.00027712 -0.00032423 -0.00011795
-0.01793269 -0.02795019 -0.03865238
6.38455675 14.54034889 -13.06688308
0.00006756 0.00038783 0.00025358
-0.00763390 0.03898817 0.00797626
14.13048024 3.76659197 -2.80625194
0.00000171 -0.00022529 0.00032328
-0.01060889 -0.00231626 0.02083332
-6.28184857 11.05369649 -0.40524350
0.00013988 -0.00014300 0.00021340
0.01414349 -0.03939128 0.00438409
6.17279071 13.23089328 3.13832339
0.00005604 0.00030661 -0.00006763
-0.04865790 0.03374136 0.01671129
21.90143700 -12.20642694 -11.69864166
-0.00008825 0.00022569 -0.00023942
-0.02621685 -0.03282810 0.01789866
16.73171318 -6.33417759 3.36683991
0.00008707 0.00001659 0.00015035
-0.03026318 -0.02401475 0.03335380
15.31925377 7.17632688 9.81024961
0.00008647 -0.00018435 -0.00027824
-0.02059947 0.00803661 0.00475623
3.02772284 -13.79988128 16.42371037
-0.00012196 0.00029836 -0.00040984
-0.00371004 -0.01086792 -0.01531246
-3.57288353 -1.01292810 -10.80376321
-0.00003908 -0.00037053 -0.00020747
0.02417019 0.04101932 -0.02131748
15.35808445 -7.89395082 -9.52999888
-0.00005869 0.00010648 0.00016231
0.01094331 0.00563024 0.04991256
8.98957298 -3.51930596 6.38868705
0.00032642 -0.00036998 -0.00001403
0.01282020 0.00432290 -0.04056962
-21.51456005 1.59121115 24.49178345
-0.00029376 -0.00006977 -0.00011566
0.01630743 0.01793664 0.01997635
24.90651855 -1.73387062 -6.49038452
0.00000411 -0.00004031 0.00003662
0.00399485 -0.00376525 -0.00645350
11.74399302 -11.84524271 -10.01041800
0.00027591 -0.00007067 -0.00009198
0.01222060 0.00710905 0.00827850
-4.80329990 -10.30277728 16.58746869
0.00033999 -0.00024554 0.00003097
-0.01392315 -0.00475229 0.00180752
8.16873877 2.37740563 -30.69112372
0.00015297 0.00029181 -0.00055935
0.01931816 -0.01405007 0.00404097
10.91117377 17.09159030 14.70915929
0.00020182 -0.00041302 -0.00019691
-0.02314826 0.00872296 0.02506097
30.65889275 7.27730770 -7.59555095
0.00015576 -0.00004548 0.00026521
0.01985658 -0.00553682 0.00685042
5.79390723 -30.16998754 -5.17515517
-0.00011306 -0.00025102 0.00041111
-0.00505526 0.01955216 -0.02145297
3.93904249 -30.88720549 -2.98032736
-0.00041098 0.00027949 0.00079468
-0.00380870 0.01242764 0.00236416
-12.50512673 -1.80602664 -13.42567963
-0.00038123 0.00059081 0.00026752
0.00018014 -0.01296229 0.01004613
-11.63977027 0.72408205 -12.53706555
-0.00011987 -0.00028620 0.00088520
-0.00427025 -0.00990125 0.00615699
-38.11594885 3.94244096 2.29100997
-0.00057604 0.00107357 0.00030854
0.01639590 -0.02170603 0.01823084
-39.71007644 1.88104184 3.31772649
0.00005067 0.00075311 -0.00010270
0.00733980 -0.01247060 0.00681717
-9.76775240 -3.39065646 0.74605417
-0.00017447 -0.00047466 0.00040245
-0.00746720 0.00470032 0.00603230
-8.30657993 -3.53052651 3.44059880
-0.00132871 0.00055250 0.00002505
-0.03063843 0.01244255 -0.02878743
0.14018299 -0.56716484 7.35126705
0.00039316 -0.00063072 0.00044947
-0.00919797 -0.00205190 -0.05052913
1.96224182 1.15271416 8.97558279
-0.00006747 0.00025200 0.00025240
-0.00987330 -0.01092253 -0.00617921
-32.24280036 0.98164662 2.47322399
-0.00046797 0.00004988 -0.00072008
-0.00587961 0.01453781 -0.01633451
-34.09637500 3.23431752 2.02300370
-0.00013368 0.00096766 -0.00093486
-0.03258716 0.00311727 0.00195691
12.75221322 12.73387008 -15.38567399
-0.00085821 -0.00033176 -0.00062675
0.00470349 0.01830438 0.01508074
15.49967361 12.79825165 -15.04473701
-0.00033706 -0.00014480 0.00134160
0.00154083 0.01240528 0.01299161
-3.96777638 8.82204337 4.71859995
0.00007242 -0.00009898 -0.00072714
0.00281872 -0.00254649 -0.01513649
-3.53821407 6.86371801 2.27720309
-0.00089924 0.00058350 0.00096775
0.00088718 0.00806110 0.01908502
6.06096462 15.97012720 -10.08546939
0.00053121 -0.00109351 -0.00005840
-0.00527888 -0.00456257 -0.01795652
7.57873118 16.90369148 -7.95816560
0.00021506 0.00013520 0.00037856
0.00726883 0.00558886 0.00773450
7.85932631 7.17344319 -22.64910686
-0.00055103 0.00009994 -0.00044359
-0.01172880 0.00520193 0.02399858
7.92134015 7.84260944 -19.67731911
-0.00054821 0.00113562 -0.00013064
-0.00119756 0.00093254 -0.01566243
21.73980218 17.85071170 -2.42284264
-0.00015518 -0.00041117 -0.00040903
-0.00967675 0.00165045 0.00090146
24.58965408 17.94567794 -3.36104989
-0.00016281 -0.00053839 -0.00001823
-0.02078911 -0.00608390 0.01164617
1.25008266 11.19942217 -21.46297102
-0.00025118 0.00048038 0.00049693
-0.00682810 -0.02658024 -0.00217654
0.63849965 13.92148555 -22.28856568
-0.00013389 -0.00090702 0.00000330
0.00650498 0.00379504 0.00494816
9.76146713 -5.37302529 -1.62502214
0.00035150 0.00138702 -0.00027630
0.01941731 0.03934504 -0.00167669
9.22670115 -2.57410842 -2.66715069
0.00151064 -0.00080541 -0.00145100
-0.00247731 -0.00263949 0.00283337
-18.88043266 -4.10151402 5.27912801
0.00072366 0.00018846 0.00002994
0.00589796 -0.00441326 -0.00773984
-17.08918409 -3.02808883 3.13494286
-0.00024116 -0.00023646 0.00012819
-0.00444582 -0.01288349 -0.02025431
-15.42792473 0.22818662 16.77766297
0.00009441 0.00047776 0.00018519
0.00130887 0.00041006 -0.00689218
-13.79302912 1.04818518 18.93334838
0.00008202 -0.00036454 -0.00011597
0.01395881 0.01518301 0.00599900
3.12049363 3.72722298 -4.36402503
-0.00020133 0.00098851 0.00065009
0.00484190 0.00488441 -0.00782781
3.29111839 1.09460173 -3.13481873
-0.00059794 -0.00007922 0.00032854
0.01794004 -0.01794313 -0.00881563
22.94802387 -9.47016215 -10.30797881
0.00070774 -0.00049798 -0.00020871
0.00027918 -0.03144230 -0.00973496
24.92740179 -7.86794911 -8.58298386
0.00043987 -0.00019880 0.00029396
-0.01121628 -0.00550177 -0.01304415
2.40270543 -8.93185323 5.46024293
0.00043584 -0.00099867 0.00101975
-0.01379037 0.01393134 0.00835254
2.56843197 -8.05899612 8.16053200
-0.00023215 -0.00122301 0.00118336
-0.00116102 0.00684074 0.00486623
-3.76020054 -2.86804870 -17.66245303
0.00110295 -0.00059302 -0.00059140
-0.00112853 0.00417618 -0.00119274
-5.00769790 -0.34232341 -16.97634725
-0.00040393 0.00004351 -0.00027062
0.00799702 -0.00623210 -0.00478131
2.15788714 4.69953355 -12.03636283
-0.00106872 0.00012850 0.00013514
-0.01857530 0.01224935 -0.01821906
2.08136497 3.82006883 -9.26005123
-0.00095444 0.00105934 0.00002712
-0.00881353 0.00253330 -0.00215245
-1.03835788 16.38683687 13.19411970
-0.00019615 0.00025235 -0.00026679
0.02575559 -0.01845998 0.00367404
-2.51295215 17.16838756 15.78643100
-0.00010036 0.00020025 0.00064375
0.00493354 -0.00981993 -0.03266055
-1.69533217 1.12440908 -5.57974061
-0.00051398 0.00041365 -0.00009443
-0.01008233 0.00449389 -0.01176932
-2.84078572 0.83702604 -8.46325357
-0.00029311 -0.00062281 0.00001162
0.00463530 0.01937897 0.03163013
-8.19370698 -3.10772692 -4.92274269
-0.00081287 -0.00106896 0.00057868
0.01762876 0.02104113 0.00979310
-7.34967231 -0.40153966 -3.97942314
0.00018312 0.00049817 0.00046880
-0.00700391 0.00915083 0.00000675
1.38677998 28.33363769 5.70739380
-0.00026000 -0.00041761 -0.00066256
-0.02385625 0.00126098 0.03062915
-1.47046208 28.44021167 6.65533120
-0.00081182 -0.00030158 -0.00045833
0.04416849 -0.00894463 0.00751586
8.35020724 -9.12208398 -2.23257382
0.00024638 -0.00035810 0.00038933
0.00685672 -0.00759812 0.01351919
10.11129024 -10.01200790 0.09018501
0.00017216 0.00003622 0.00034908
-0.00344413 -0.00526041 0.01987177
-5.97032601 0.25400126 9.22485035
-0.00102372 0.00067171 -0.00050979
0.01874837 0.00007394 -0.00579452
-8.45987991 -0.22910775 8.26339801
-0.00019039 0.00019458 0.00008738
0.00434824 0.00180677 -0.01773198
19.73288154 11.21947686 7.93118163
-0.00061899 -0.00004129 0.00092245
-0.01353815 0.01665967 -0.02970596
19.48796221 13.21495266 5.59043692
0.00007791 0.00091415 0.00063601
0.00077431 -0.01565918 0.01361732
-2.77289392 -2.40561850 -22.20756590
0.00139425 0.00096327 -0.00013819
-0.02303266 -0.02621814 -0.02143853
-4.81064101 -3.46998838 -24.22294649
-0.00044714 -0.00086586 -0.00038876
-0.01550540 0.01572040 -0.00907079
-12.48850990 9.18015154 9.53566640
0.00004302 -0.00008083 0.00050385
0.00163691 0.00137978 -0.00466720
-13.15572132 8.70686963 6.66275694
0.00023127 0.00005382 0.00025770
0.01027387 0.01221489 -0.00447485
-12.62158225 7.35974545 -4.51006483
-0.00055377 -0.00032755 -0.00077918
-0.00833680 0.00103567 -0.00651566
-11.49146028 9.22038459 -2.49809348
-0.00052109 -0.00059053 0.00012502
-0.01674244 -0.02951431 -0.00369883
-4.77839872 -17.33343903 20.00126102
0.00053112 0.00040325 -0.00059935
-0.03071970 -0.01526674 -0.00656757
-2.00373870 -17.00415408 19.55820090
-0.00031774 0.00064206 -0.00086275
0.01713540 -0.00392977 -0.00918643
-3.63982850 5.43103682 -6.96308897
0.00019591 -0.00038965 -0.00039885
0.00618506 -0.00333093 0.00120910
-3.67067674 8.39751318 -6.86480200
-0.00085392 0.00090835 0.00118733
-0.01224016 0.02698828 0.02604272
-21.19229043 28.20023439 0.26194525
0.00022466 -0.00028369 0.00101201
0.00800900 0.00467946 0.00808211
-18.81683450 29.44796007 1.62170695
-0.00075824 0.00041859 -0.00107213
-0.02344278 0.00089167 -0.01547135
8.60308410 2.48248093 6.13967873
-0.00136234 0.00021553 0.00027743
0.02235719 0.02041037 0.03012214
9.21839827 4.80902756 7.95596887
-0.00025751 0.00067781 0.00059273
-0.00927374 0.01662842 0.00733452
7.11103547 15.18166885 -14.60428716
-0.00008478 0.00114555 0.00201433
0.00545922 0.00801437 -0.00466022
6.54846954 12.81042423 -13.16801202
0.00134854 -0.00064272 0.00017667
0.00718323 -0.05060495 -0.00250753
13.25156075 5.26602010 -3.49968136
-0.00040003 0.00021283 0.00000293
0.00373869 -0.02037934 0.01860889
13.37110009 3.34618981 -1.05365884
-0.00040709 -0.00134398 -0.00103720
0.00785103 0.01606434 -0.03647550
-5.23429844 9.49497025 -0.01986553
0.00060153 0.00016129 -0.00081529
-0.01956844 0.03367192 -0.01205224
-7.99967791 10.38577315 -0.20618775
0.00002247 -0.00131758 -0.00092346
0.01065250 0.00943360 0.00534040
4.60919948 12.86658920 2.19791315
0.00025413 0.00087975 0.00022695
0.00982075 0.00581415 0.00205106
7.41826013 12.16150968 2.58188706
0.00137797 -0.00006366 -0.00005590
0.03711109 -0.03323238 -0.01314771
20.81192180 -12.90539619 -10.27503919
0.00093227 -0.00012440 0.00048075
0.01893743 0.00678707 -0.03053019
22.22320555 -13.70950588 -12.86098203
0.00088131 -0.00027157 -0.00025457
0.00310828 0.02042722 0.01569974
17.97427327 -5.98891974 2.17397788
-0.00003105 0.00010430 -0.00077013
0.02223269 0.00159638 -0.03826138
16.22811604 -8.13430700 3.20015954
0.00076578 0.00050024 -0.00067143
0.00657973 0.02604781 -0.00429636
14.18764319 8.20914045 10.92278479
0.00076449 -0.00046574 -0.00032979
0.01182505 -0.00673583 -0.01920357
16.59400200 6.59999748 10.95825924
0.00020241 -0.00018380 -0.00051632
0.00748741 -0.00158184 0.00796998
2.15869556 -13.18146819 14.93511742
-0.00164944 -0.00096860 0.00039093
0.00045812 -0.00524496 0.00307390
3.58200486 -12.30118561 17.25011153
0.00010136 -0.00018623 0.00091075
0.00843523 0.01133893 0.00863143
-3.48275835 -2.67341797 -10.09121835
-0.00010081 -0.00024399 0.00059830
0.00555471 -0.01888087 0.01041329
-1.86486551 -0.57707968 -11.66240362
-0.00011165 -0.00094045 -0.00023118
-0.02655299 -0.01553202 0.01292332
15.05727992 -7.64430071 -11.24784980
0.00066337 -0.00010784 -0.00101268
-0.00985460 0.00100081 -0.04575353
16.93578310 -6.97111085 -9.04636822
0.00061756 0.00012707 -0.00089765
-0.01057529 -0.00765799 -0.00321879
7.42835611 -2.87340863 5.60235491
0.00131105 -0.00077018 -0.00005869
-0.00309883 -0.00585001 0.01718989
10.11580421 -3.52268507 4.81979048
0.00088690 -0.00133476 0.00002858
-0.00774098 -0.00144582 0.02700412
-21.34366190 1.16403913 22.77958523
0.00104923 -0.00059111 0.00010759
0.00211026 -0.00441649 -0.02490225
-22.90553460 0.66453476 25.15779905
-0.00047185 0.00036123 -0.00060020
-0.01645964 -0.01037568 0.00568077
25.62249822 -2.70037513 -7.90655652
0.00027389 0.00062439 -0.00077502
-0.00120108 0.00230918 0.00908330
23.66563517 -0.59041657 -7.15834433
-0.00006812 -0.00022075 -0.00053486
-0.00141559 -0.00101157 -0.00512605
11.31999851 -13.00608449 -8.63529296
-0.00038453 -0.00056291 0.00005200
-0.00584015 0.01480068 -0.00408385
12.64849264 -10.31059739 -9.40844940
0.00070744 0.00033402 -0.00005078
-0.00630915 -0.02311742 -0.00769022
-5.49987770 -10.40363386 18.30699040
-0.00061093 0.00021617 -0.00103282
0.00296087 -0.00122770 -0.00617619
-6.20774575 -9.89656216 15.43275404
-0.00081516 -0.00009617 -0.00028482
0.01668564 -0.00190159 0.01016839
9.12139126 1.17574923 -31.79186257
0.00066822 0.00038841 0.00001790
-0.01616425 0.00611547 0.00971682
6.55257554 2.62080699 -31.44693510
0.00047066 0.00041165 -0.00096948
-0.01261114 0.00009567 -0.01444503
11.39174680 18.10212363 13.32250743
0.00000893 -0.00044127 -0.00086088
0.00825080 0.01277990 -0.02270109
11.88651933 15.60068481 14.65349129
-0.00046975 -0.00035772 -0.00004210
0.01718592 -0.01477900 -0.00640850
30.76715106 5.46245350 -7.93927373
0.00051326 0.00007933 0.00048410
0.00442839 -0.00531353 -0.00457039
28.89904042 7.53372852 -7.37167864
-0.00162638 -0.00068625 -0.00027937
-0.02261759 0.01010423 0.00257409
-8.41926877 4.85487539 5.64368062
0.00002585 -0.00009980 0.00001619
0.00866883 0.00717191 0.00451620
-10.74189037 10.14531629 3.40144575
0.00004190 -0.00000851 -0.00011570
-0.00258366 -0.00747075 0.00440782
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08393982
0.32910111
438.51072605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3402355185 (a.u.)
total exchange computation time: 2.7535810471 s
-154.0704932495
-931.41555574
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3400070593 (a.u.)
total exchange computation time: 2.7555601597 s
-154.0728318036
Anderson extrapolation: theta=1.3711440603 (1.3711440603)
-931.41579975
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3396170313 (a.u.)
total exchange computation time: 2.7544059753 s
-154.0765241977
Anderson extrapolation: theta=0.0606385602 (0.0606385602)
-931.41594975
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3395304051 (a.u.)
total exchange computation time: 2.7529489994 s
-154.0772095998
Anderson extrapolation: theta=2.1114130844 (2.0000000000)
-931.41595677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3393368874 (a.u.)
total exchange computation time: 2.7552402020 s
-154.0786908638
Anderson extrapolation: theta=0.2848811963 (0.2848811963)
-931.41596509
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3392788237 (a.u.)
total exchange computation time: 2.7529020309 s
-154.0790929325
Anderson extrapolation: theta=1.4018588208 (1.4018588208)
-931.41596688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3392140612 (a.u.)
total exchange computation time: 2.7531120777 s
-154.0794942436
Anderson extrapolation: theta=0.3485188505 (0.3485188505)
-931.41596854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3392090457 (a.u.)
total exchange computation time: 2.7527220249 s
-154.0794752682
Anderson extrapolation: theta=1.0397525206 (1.0397525206)
-931.41596899
-167.263989 121.371150 -36.122294
566.436963 1066.428411 -418.581755
399.172975 1187.799560 -454.704049
1333.027618
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1417198486
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3392170343 (a.u.)
total exchange computation time: 2.7223968506 s
678.42871835
-1082.73581783
89.72816841
-389.77187607
-174.72594507
77.70554686
551.60419304
0.00000000
-931.41596925
5.52605455 -31.24657844 -3.77534716
-0.00023491 -0.00015814 -0.00003612
-0.00275881 -0.02731029 0.01929033
-11.85657038 -1.00564616 -11.82363541
-0.00010466 0.00016515 -0.00005160
0.01113630 0.01836483 -0.01056608
-37.90466991 2.31943062 3.32258624
0.00023885 -0.00000629 -0.00018083
-0.02417328 0.03883684 -0.02479627
-9.80430184 -2.74721336 2.48457903
-0.00045213 0.00012080 -0.00001113
0.03922820 -0.00760477 0.03842467
0.78139697 -0.26534563 8.93893997
0.00027501 -0.00018421 -0.00011663
0.01979134 0.01167079 0.05982121
-32.41250601 2.74829835 1.79531686
0.00003002 -0.00012161 0.00001332
0.03796246 -0.02392238 0.01078061
14.01706081 13.74384427 -14.41509596
0.00037727 0.00033051 -0.00026679
-0.01586388 -0.02995589 -0.02833155
-4.12487936 7.08093948 4.02981402
-0.00043031 -0.00013352 -0.00032634
-0.00508837 -0.00890990 0.01074760
5.81691194 16.70606183 -8.43035086
0.00016853 0.00001089 0.00032203
0.00000271 -0.00445522 0.00740176
6.78993245 7.24812302 -21.02702990
-0.00014388 0.00022475 0.00009456
0.01185549 -0.01050857 -0.00981097
23.38438134 17.11136621 -2.18732836
-0.00024824 0.00000635 0.00028349
0.03918418 -0.00197762 -0.01404258
1.39806614 12.91356964 -20.94664652
0.00010186 0.00014200 0.00026412
-0.00067778 0.01767240 -0.00360608
10.42568665 -3.55090604 -1.67545187
0.00002911 0.00003443 0.00007636
-0.01554754 -0.04147816 -0.01012446
-17.85422245 -2.68921308 4.71389800
0.00016597 -0.00008181 0.00016455
-0.00786774 0.01569489 0.01949590
-15.28599408 0.13164681 18.58472576
0.00001229 -0.00006647 -0.00015313
-0.00183605 -0.02095522 0.00248757
2.72217579 2.76518024 -2.89966618
-0.00030234 0.00008136 0.00011532
-0.03235090 0.02277519 0.02108086
23.42596710 -7.88333668 -9.66203282
0.00003719 -0.00016372 -0.00022603
0.02281427 0.03923720 0.01997189
1.46470342 -7.91737180 6.71487914
0.00016681 0.00022801 0.00001380
0.01857722 -0.01146237 -0.01171487
-3.69351226 -1.07959174 -18.09667329
0.00030869 0.00043901 0.00033005
0.00192601 -0.00737548 0.00494181
3.17528796 4.27165147 -10.63088453
-0.00014959 -0.00005896 0.00030967
0.01954250 -0.01300972 0.01734816
-2.62290405 16.82517123 13.94172257
0.00006397 -0.00005007 0.00013776
-0.03910533 0.02912343 0.03398876
-2.27374619 2.10276900 -7.03055510
0.00001932 0.00012183 0.00014744
0.00075718 -0.02678429 -0.02039626
-6.71603670 -2.02487528 -4.46509267
-0.00013451 0.00002605 -0.00017650
-0.01868140 -0.02987459 -0.00968696
0.37361893 28.26349476 7.34221454
0.00010717 0.00015615 0.00022308
-0.02887426 0.00441253 -0.05218599
10.06495657 -9.13704921 -1.48151637
0.00012856 -0.00000226 -0.00022467
0.00206673 0.01028892 -0.03071865
-6.84948928 0.45061773 7.60693725
-0.00005073 0.00026198 0.00029309
-0.03116730 -0.00025498 0.01872398
18.72756331 11.69838901 6.35500906
0.00031805 -0.00018638 0.00014490
0.01552307 -0.00217173 0.01920886
-3.32284576 -3.87844752 -23.27894421
-0.00018020 0.00032099 0.00006231
0.03243375 0.01943148 0.03397373
-13.63177333 8.32782521 8.37457323
-0.00000731 0.00009664 0.00027814
-0.01051436 -0.01109010 0.00993470
-12.15405111 7.43458340 -2.73004084
-0.00027926 -0.00013833 -0.00033018
0.01898896 0.02984339 0.00482598
-3.38582642 -16.33584625 20.48013097
-0.00047520 -0.00028502 0.00019434
0.02091982 0.02463705 0.02065000
-3.38310992 6.98091705 -7.88555451
-0.00045638 0.00010295 0.00005456
0.00416515 -0.00457018 -0.02539287
-20.68592467 29.60778938 1.33139382
0.00009479 0.00023261 -0.00006940
0.01568282 0.00092734 0.00783191
9.85006507 3.16595815 7.48784084
0.00026639 -0.00033628 -0.00013742
-0.02379113 -0.01890585 -0.03703525
6.38554072 14.54631669 -13.06304857
0.00006275 0.00040360 0.00025994
-0.01107466 0.02233045 0.01673916
14.13046492 3.76320362 -2.80132232
-0.00000389 -0.00022562 0.00033245
-0.01114112 0.00104236 0.01482985
-6.27969580 11.05139948 -0.40202556
0.00014629 -0.00016320 0.00021550
0.01078292 -0.03912756 0.00377268
6.17344355 13.23562262 3.13737338
0.00003415 0.00032217 -0.00005955
-0.03646555 0.02676799 0.01472905
21.90001213 -12.20316829 -11.70216385
-0.00010142 0.00020831 -0.00023044
-0.02498496 -0.03474225 0.01699597
16.73290255 -6.33402142 3.36922382
0.00007313 0.00000541 0.00016628
-0.02397475 -0.01944941 0.02860100
15.32047137 7.17359256 9.80609435
0.00007641 -0.00018070 -0.00027634
-0.01853344 0.00618307 0.00263506
3.02587917 -13.79544777 16.41750369
-0.00012325 0.00029254 -0.00041671
-0.00130742 -0.01176793 -0.01138450
-3.57337652 -1.01832782 -10.80695756
-0.00002675 -0.00034999 -0.00021797
0.02377014 0.03886214 -0.01948191
15.35724636 -7.89233191 -9.52737163
-0.00005304 0.00011005 0.00018533
0.01099787 0.00825841 0.03959732
8.99451869 -3.52483899 6.38832010
0.00033450 -0.00036847 -0.00003437
0.01861114 0.00155896 -0.03851226
-21.51890348 1.59023380 24.49012565
-0.00028497 -0.00006026 -0.00010581
0.01787322 0.01905861 0.01833465
24.90659561 -1.73448984 -6.48986010
0.00000612 -0.00004235 0.00003247
0.00381390 -0.00416946 -0.00969675
11.74817888 -11.84627540 -10.01176579
0.00028229 -0.00006701 -0.00008693
0.01256428 0.00712257 0.01135468
-4.79825372 -10.30647870 16.58794029
0.00033156 -0.00024755 0.00002985
-0.01885217 -0.00307261 -0.00617535
8.17110777 2.38172855 -30.69949844
0.00016295 0.00028476 -0.00055698
0.01951370 -0.01335480 0.00517111
10.91411176 17.08542857 14.70630236
0.00018976 -0.00040708 -0.00018480
-0.02373150 0.01440004 0.02203531
30.66130572 7.27660413 -7.59154632
0.00016255 -0.00004759 0.00026922
0.00655773 -0.00265803 0.00872103
5.79205644 -30.17315375 -5.16964593
-0.00013311 -0.00016701 0.00031868
-0.00475841 0.02157345 -0.02379038
3.93276113 -30.88263225 -2.96833473
-0.00041759 0.00032856 0.00079941
0.00057090 0.01159253 -0.00004754
-12.51083959 -1.79756169 -13.42135904
-0.00038108 0.00053649 0.00030578
-0.00010834 -0.01363005 0.00868395
-11.64169925 0.71948571 -12.52359887
-0.00013595 -0.00031812 0.00090586
-0.00360038 -0.00572435 0.00395429
-38.12408710 3.95787933 2.29619679
-0.00050621 0.00097982 0.00038558
0.01778723 -0.02418362 0.01947663
-39.70909149 1.89195635 3.31639484
0.00008055 0.00070054 -0.00007428
0.00728603 -0.01326285 0.00709858
-9.77059831 -3.39763239 0.75227578
-0.00020479 -0.00045569 0.00042489
-0.00737107 0.00458888 0.00495422
-8.32744947 -3.52185767 3.44009244
-0.00144592 0.00059991 -0.00008773
-0.02673569 0.01076242 -0.02642128
0.14579858 -0.57668856 7.35646076
0.00035306 -0.00064027 0.00023497
-0.01043531 -0.00262043 -0.05447264
1.96092718 1.15615951 8.97917945
-0.00010888 0.00020584 0.00022628
-0.01039523 -0.01167470 -0.00660634
-32.25000006 0.98284030 2.46192233
-0.00049295 0.00010506 -0.00078379
-0.00634989 0.01247291 -0.01485281
-34.09937874 3.24892792 2.00904079
-0.00025931 0.00097732 -0.00092731
-0.02891007 0.00161207 0.00173700
12.73948421 12.72945457 -15.39461317
-0.00082640 -0.00024885 -0.00055772
0.01086960 0.02228097 0.01871398
15.49466498 12.79645981 -15.02421493
-0.00032240 -0.00010021 0.00138871
0.00563556 0.00942000 0.01006833
-3.96660373 8.82048062 4.70722897
0.00008321 -0.00010880 -0.00078672
0.00246399 -0.00225749 -0.01402760
-3.55167553 6.87271756 2.29230412
-0.00088935 0.00061248 0.00102581
0.00395376 0.00612213 0.00933649
6.06877099 15.95358478 -10.08689559
0.00050829 -0.00110667 -0.00012045
-0.00594126 -0.00187999 -0.01241966
7.58217989 16.90589075 -7.95225019
0.00024315 0.00015769 0.00040947
0.00648140 0.00541899 0.00739697
7.85070147 7.17510177 -22.65502537
-0.00059869 0.00012142 -0.00034323
-0.01160147 0.00530874 0.02512897
7.91308030 7.85967235 -19.67975860
-0.00055148 0.00113939 -0.00019382
-0.00040312 0.00091075 -0.01526396
21.73717796 17.84459467 -2.42895054
-0.00019672 -0.00040356 -0.00040553
-0.01065844 0.00207529 0.00081337
24.58657489 17.93741563 -3.36096648
-0.00024741 -0.00056274 0.00002904
-0.02062087 -0.00583526 0.01149508
1.24610569 11.20581340 -21.45558381
-0.00027872 0.00036608 0.00048784
-0.00665188 -0.02936910 -0.00227315
0.63669070 13.90799660 -22.28836451
-0.00010916 -0.00088745 0.00002121
0.00559870 0.00578481 0.00381625
9.76733470 -5.35101441 -1.62921799
0.00042584 0.00153294 -0.00028231
0.01696902 0.03208653 -0.00126832
9.24928479 -2.58627051 -2.68882893
0.00149547 -0.00081080 -0.00144360
-0.00494674 0.00000410 0.00079246
-18.86939699 -4.09882234 5.27933994
0.00074257 0.00016403 0.00000153
0.00335924 -0.00754713 -0.00616452
-17.09293767 -3.03203049 3.13624508
-0.00025818 -0.00028866 0.00004452
-0.00388584 -0.01266878 -0.02070378
-15.42646850 0.23536551 16.78022962
0.00009856 0.00047949 0.00015208
0.00072150 0.00044137 -0.00931633
-13.79137114 1.04318233 18.93179271
0.00013979 -0.00030231 -0.00009049
0.01432034 0.01528004 0.00646994
3.11762210 3.74220033 -4.35451348
-0.00018134 0.00100594 0.00061907
0.00494214 0.00364611 -0.00735689
3.28269908 1.09286354 -3.13016074
-0.00052462 -0.00015047 0.00029089
0.01795068 -0.01692997 -0.00961694
22.95864847 -9.47859529 -10.31140773
0.00070913 -0.00062391 -0.00024778
0.00040161 -0.03020159 -0.00938999
24.93365618 -7.87109965 -8.57897415
0.00038729 -0.00022051 0.00023591
-0.01452398 -0.00512777 -0.01537335
2.40882038 -8.94640631 5.47579518
0.00037847 -0.00094034 0.00105332
-0.01428798 0.01461950 0.00807721
2.56491415 -8.07713163 8.17843148
-0.00024479 -0.00119278 0.00119386
-0.00502896 0.00795561 0.00027434
-3.74369089 -2.87681608 -17.67136057
0.00109713 -0.00056408 -0.00059766
-0.00172069 0.00999101 -0.00187035
-5.01351184 -0.34186167 -16.98055304
-0.00037067 0.00001655 -0.00028930
0.00828756 -0.00696695 -0.00436219
2.14128715 4.70183644 -12.03489406
-0.00113568 0.00017572 0.00006942
-0.01420163 0.01086390 -0.01395080
2.06677830 3.83603654 -9.25971036
-0.00098912 0.00106873 0.00002015
-0.00816330 0.00206324 -0.00126167
-1.04051091 16.39005643 13.19023037
-0.00008907 0.00017671 -0.00025164
0.02665887 -0.01856676 0.00374632
-2.51430632 17.17109040 15.79508640
-0.00007988 0.00015876 0.00050406
0.00508934 -0.01048868 -0.03571679
-1.70335087 1.13075149 -5.58151766
-0.00055220 0.00042794 -0.00013566
-0.00862562 0.00250423 -0.00841261
-2.84504035 0.82827770 -8.46210996
-0.00027292 -0.00054022 0.00014245
0.00524841 0.02104843 0.03241239
-8.20535986 -3.12311653 -4.91376236
-0.00073279 -0.00097475 0.00062081
0.02157365 0.02507633 0.01082828
-7.34714009 -0.39378675 -3.97239093
0.00015613 0.00052765 0.00046645
-0.00621072 0.00528102 -0.00115750
1.38214902 28.32741214 5.69839403
-0.00035857 -0.00041210 -0.00053273
-0.02439709 0.00143752 0.03292090
-1.48128587 28.43541385 6.64868656
-0.00062428 -0.00033792 -0.00042369
0.04763244 -0.00884156 0.00944164
8.35411300 -9.12768837 -2.22631966
0.00027045 -0.00038832 0.00044207
0.00492966 -0.00719199 0.01229894
10.11376711 -10.01162579 0.09603010
0.00015874 0.00001892 0.00042244
-0.00312590 -0.00320992 0.01603914
-5.98510734 0.26407914 9.21702600
-0.00093844 0.00067080 -0.00051955
0.02299614 -0.00052025 0.00101674
-8.46260247 -0.22613364 8.26416530
-0.00017235 0.00020236 0.00001406
0.00448320 0.00200228 -0.01815492
19.72318177 11.21936798 7.94410805
-0.00067317 0.00002677 0.00079983
-0.01297929 0.01665530 -0.03031603
19.48915457 13.22818501 5.60039427
0.00007822 0.00084353 0.00069488
-0.00062089 -0.01890824 0.01520351
-2.75268590 -2.39197287 -22.21029573
0.00129442 0.00084989 -0.00023158
-0.02583853 -0.02927956 -0.02427759
-4.81782322 -3.48249449 -24.22905579
-0.00050724 -0.00079933 -0.00042281
-0.01391369 0.01684211 -0.00759857
-12.48781445 9.17898144 9.54308108
0.00004945 -0.00007563 0.00048416
0.00150937 0.00116354 -0.00497065
-13.15193750 8.70805127 6.66648532
0.00027295 0.00010331 0.00024058
0.01013234 0.01200770 -0.00390739
-12.63014430 7.35486398 -4.52195226
-0.00058602 -0.00032194 -0.00079957
-0.00744625 0.00171038 -0.00346105
-11.49978973 9.21062218 -2.49633148
-0.00058760 -0.00070575 0.00010946
-0.01581399 -0.02688306 -0.00392091
-4.77137334 -17.32785809 19.99206947
0.00039278 0.00033208 -0.00062997
-0.03699751 -0.01956963 -0.00841852
-2.00797976 -16.99464363 19.54497812
-0.00025227 0.00062920 -0.00089665
0.01491637 -0.00236304 -0.00740608
-3.63670034 5.42509000 -6.96903460
0.00022114 -0.00040194 -0.00039393
0.00616758 -0.00268434 0.00119618
-3.68386063 8.41196536 -6.84619403
-0.00089983 0.00099791 0.00127910
-0.01023423 0.01685617 0.01887881
-21.18867507 28.19612238 0.27737307
0.00025447 -0.00026784 0.00104195
0.00658222 0.00308189 0.00657214
-18.82892651 29.45426622 1.60515085
-0.00084141 0.00042219 -0.00113168
-0.01726788 0.00087073 -0.01367856
8.58333414 2.48633933 6.14476328
-0.00126656 0.00029900 0.00040177
0.02452871 0.02044890 0.03074041
9.21425142 4.81970428 7.96508452
-0.00028760 0.00072794 0.00061776
-0.00545365 0.00790901 0.00491765
7.10993109 15.19909767 -14.57421500
-0.00005388 0.00118521 0.00197718
0.00966735 0.01140064 -0.01352657
6.56891782 12.79923272 -13.16543879
0.00137641 -0.00082269 0.00016692
0.00645705 -0.03749189 -0.00226711
13.24567485 5.26858800 -3.49906715
-0.00038142 0.00012282 0.00008239
0.00537328 -0.02367932 0.02028670
13.36523428 3.32652230 -1.07033456
-0.00037746 -0.00127815 -0.00117794
0.00665342 0.01616403 -0.03241728
-5.22587510 9.49842142 -0.03246423
0.00052310 0.00029594 -0.00086343
-0.01882627 0.03223862 -0.01151116
-7.99901448 10.36629846 -0.21987606
0.00007128 -0.00127667 -0.00090175
0.01324338 0.01059565 0.00528697
4.61331232 12.87996368 2.20138031
0.00029034 0.00090069 0.00023145
0.00790380 0.00443399 0.00014936
7.44006686 12.15953642 2.58064564
0.00150874 -0.00018274 -0.00010143
0.02690370 -0.02505944 -0.00914068
20.82648616 -12.90705426 -10.26876344
0.00100842 -0.00009668 0.00035537
0.01834030 0.00678171 -0.03084770
22.23652044 -13.71295342 -12.86431957
0.00089196 -0.00018439 -0.00018821
0.00210410 0.02224614 0.01678518
17.97448886 -5.98730636 2.16125348
0.00005074 0.00011019 -0.00091776
0.01779995 0.00128780 -0.03400412
16.23980437 -8.12600528 3.18995643
0.00078908 0.00059792 -0.00068797
0.00482353 0.02176840 -0.00379807
14.19947288 8.20194793 10.91724950
0.00080777 -0.00048916 -0.00040403
0.00936308 -0.00472770 -0.01713701
16.59726757 6.59719195 10.95075871
0.00023378 -0.00019064 -0.00048351
0.00787041 -0.00176519 0.00809096
2.13396793 -13.19615793 14.94107558
-0.00164861 -0.00098499 0.00040115
-0.00004950 -0.00277757 0.00192729
3.58378374 -12.30363163 17.26403724
0.00013241 -0.00014308 0.00094032
0.00676377 0.00978514 0.00584325
-3.48410025 -2.67765635 -10.08192478
-0.00007838 -0.00031746 0.00063920
0.00542437 -0.01708323 0.00960971
-1.86735392 -0.59166242 -11.66547526
-0.00021857 -0.00100262 -0.00017889
-0.02578339 -0.01489956 0.01267145
15.06692847 -7.64588763 -11.26444202
0.00062479 -0.00010774 -0.00118006
-0.00903170 -0.00095385 -0.03618018
16.94472242 -6.96943940 -9.05993159
0.00057176 0.00009404 -0.00090871
-0.01184223 -0.00851444 -0.00219571
7.44792696 -2.88514052 5.60200126
0.00128821 -0.00078942 0.00000561
-0.00808455 -0.00356855 0.01428850
10.12887045 -3.54275079 4.82104665
0.00085254 -0.00133940 0.00014069
-0.00907868 -0.00082503 0.02787335
-21.32785875 1.15503717 22.78043604
0.00105767 -0.00060895 0.00000814
0.00202159 -0.00431858 -0.02378207
-22.91311669 0.66963520 25.14897007
-0.00054210 0.00031678 -0.00057568
-0.01792984 -0.01137887 0.00632244
25.62656981 -2.69093847 -7.91790341
0.00026792 0.00063513 -0.00073309
-0.00172101 0.00294517 0.01144159
23.66457005 -0.59375880 -7.16652436
-0.00007271 -0.00022544 -0.00055372
-0.00083210 -0.00128242 -0.00410611
11.31405155 -13.01407466 -8.63463812
-0.00040606 -0.00049703 0.00003019
-0.00469831 0.01744916 -0.00659190
12.65891092 -10.30629553 -9.40944678
0.00067847 0.00023428 -0.00008350
-0.00787171 -0.02570623 -0.00832448
-5.50895090 -10.40042892 18.29130887
-0.00060004 0.00021014 -0.00104805
0.00237138 -0.00172415 -0.00128071
-6.21946183 -9.89806290 15.42879327
-0.00073515 -0.00010649 -0.00023727
0.02247961 -0.00315419 0.01310970
9.13091920 1.18176275 -31.79129637
0.00060200 0.00041243 0.00005672
-0.01625037 0.00564220 0.00928516
6.55924899 2.62698466 -31.46191992
0.00041837 0.00041182 -0.00102894
-0.01298262 -0.00001422 -0.01466318
11.39213361 18.09589613 13.30889863
0.00004040 -0.00039477 -0.00094630
0.00715283 0.00998464 -0.01911588
11.87999966 15.59486614 14.65266338
-0.00039591 -0.00042360 -0.00006885
0.01895854 -0.01746985 -0.00668501
30.77498566 5.46348061 -7.93215222
0.00053149 0.00005537 0.00046470
0.00449639 -0.00641421 -0.00492890
28.87395169 7.52374434 -7.37579024
-0.00169212 -0.00064848 -0.00027199
-0.00956303 0.00838471 0.00103666
-8.41885772 4.85339762 5.64393554
0.00002891 -0.00009727 0.00001778
0.00844600 0.00698097 0.00436851
-10.74126639 10.14517569 3.39971796
0.00004127 -0.00001022 -0.00011465
-0.00280179 -0.00731339 0.00462652
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08402419
0.33194506
442.30014872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3314656476 (a.u.)
total exchange computation time: 2.7905790806 s
-154.0316784849
-931.41681206
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3314260113 (a.u.)
total exchange computation time: 2.7921440601 s
-154.0327707228
Anderson extrapolation: theta=1.3791389993 (1.3791389993)
-931.41704336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3313231576 (a.u.)
total exchange computation time: 2.7904829979 s
-154.0346675383
Anderson extrapolation: theta=0.0627092022 (0.0627092022)
-931.41718557
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3312750292 (a.u.)
total exchange computation time: 2.7926039696 s
-154.0351758117
Anderson extrapolation: theta=2.1857532765 (2.0000000000)
-931.41719207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3311649436 (a.u.)
total exchange computation time: 2.7893359661 s
-154.0362845814
Anderson extrapolation: theta=0.3300222056 (0.3300222056)
-931.41719941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3311293176 (a.u.)
total exchange computation time: 2.7903480530 s
-154.0366147699
Anderson extrapolation: theta=1.2573075696 (1.2573075696)
-931.41720088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3310996435 (a.u.)
total exchange computation time: 2.7912988663 s
-154.0368719986
Anderson extrapolation: theta=0.4176200952 (0.4176200952)
-931.41720182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3311030390 (a.u.)
total exchange computation time: 2.7910358906 s
-154.0368236166
Anderson extrapolation: theta=0.9179821348 (0.9179821348)
-931.41720200
-167.282597 121.382107 -36.173980
566.428494 1066.423470 -418.585924
399.145897 1187.805577 -454.759905
1333.043925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3311175795 (a.u.)
total exchange computation time: 2.7914969921 s
678.30914815
-1082.48039095
89.73807751
-389.94697431
-174.70594478
77.56166743
551.60419304
0.00000000
-931.41720196
5.52252029 -31.24905585 -3.77581452
-0.00023750 -0.00017234 -0.00002519
-0.00730622 -0.02789948 0.02321793
-11.85809739 -1.00309810 -11.82445022
-0.00009896 0.00017348 -0.00005615
0.01105840 0.01404088 -0.00711360
-37.90118038 2.31948604 3.31977808
0.00022616 0.00001438 -0.00019383
-0.02516564 0.04155527 -0.02572941
-9.81093246 -2.74543076 2.48456034
-0.00043304 0.00011742 0.00000813
0.03499468 -0.00552279 0.03647806
0.78559849 -0.26806369 8.93742122
0.00028533 -0.00017808 -0.00008538
0.02033398 0.01213978 0.06171014
-32.41190929 2.74638189 1.79555824
0.00004834 -0.00013269 0.00001864
0.03329937 -0.01914329 0.00990239
14.02265869 13.74868644 -14.41920714
0.00036668 0.00031509 -0.00028147
-0.02533592 -0.03001973 -0.02874467
-4.13135366 7.07890231 4.02496035
-0.00043368 -0.00013765 -0.00031821
-0.00799520 -0.00715645 0.02087675
5.81943997 16.70620793 -8.42549179
0.00016892 0.00000793 0.00032449
0.00151235 -0.00703391 0.00214824
6.78782005 7.25145369 -21.02564931
-0.00013807 0.00021923 0.00008915
0.01071186 -0.01093889 -0.01124738
23.38080892 17.11145380 -2.18313022
-0.00022806 0.00000516 0.00027642
0.03927386 -0.00263872 -0.01345884
1.39959141 12.91576779 -20.94269869
0.00010165 0.00015108 0.00026251
-0.00013133 0.01763280 -0.00264438
10.42606333 -3.55054964 -1.67434548
0.00002238 0.00001472 0.00007151
-0.01061043 -0.03514585 -0.00876649
-17.85176330 -2.69037970 4.71644146
0.00016253 -0.00007303 0.00017415
-0.00549968 0.01843394 0.01781521
-15.28581675 0.13056894 18.58243838
0.00001152 -0.00007716 -0.00015140
-0.00117170 -0.02060703 0.00422909
2.71751583 2.76648847 -2.89785514
-0.00031886 0.00009293 0.00012607
-0.03188261 0.02223968 0.02073838
23.42661298 -7.88564106 -9.66534624
0.00004949 -0.00014422 -0.00021549
0.02501389 0.03658153 0.02102956
1.46727719 -7.91399586 6.71504101
0.00017734 0.00022175 0.00000910
0.02239197 -0.01288488 -0.00658968
-3.68887446 -1.07303499 -18.09170353
0.00030981 0.00043398 0.00033262
0.00240997 -0.01218761 0.00505889
3.17311945 4.27071691 -10.62617258
-0.00014095 -0.00006517 0.00031717
0.01407761 -0.01113112 0.01182540
-2.62209542 16.82453245 13.94392001
0.00004386 -0.00003503 0.00015559
-0.03906984 0.02937233 0.03535099
-2.27345340 2.10449307 -7.02842212
0.00001918 0.00010825 0.00013576
-0.00132733 -0.02599592 -0.02503425
-6.71812646 -2.02459977 -4.46777759
-0.00014516 0.00001082 -0.00018139
-0.02272912 -0.02934820 -0.00929975
0.37511517 28.26585399 7.34535945
0.00009168 0.00015835 0.00019544
-0.03138790 0.00414370 -0.05530750
10.06689290 -9.13704337 -1.48500490
0.00013018 0.00000233 -0.00023904
0.00423422 0.00752865 -0.02517076
-6.85037051 0.45454641 7.61140578
-0.00006789 0.00026202 0.00030089
-0.03552966 0.00043382 0.01163418
18.73239393 11.69558490 6.35725662
0.00032611 -0.00018679 0.00015443
0.01583080 0.00059661 0.01787520
-3.32542366 -3.87355773 -23.27787852
-0.00016349 0.00033133 0.00007985
0.03254650 0.02077778 0.03424817
-13.63192351 8.32923203 8.37878369
-0.00001259 0.00009104 0.00028309
-0.01001157 -0.01070323 0.00929658
-12.15816670 7.43262355 -2.73497498
-0.00027006 -0.00012402 -0.00032845
0.01675387 0.02581282 0.00193677
-3.39287377 -16.34002654 20.48312570
-0.00046235 -0.00027187 0.00020485
0.02906717 0.02651718 0.02022049
-3.38993961 6.98244368 -7.88483401
-0.00045471 0.00010301 0.00004334
0.00233802 0.00478580 -0.01825650
-20.68444237 29.61128211 1.33038299
0.00010135 0.00023346 -0.00006540
0.00982552 0.00238964 0.00772644
9.85396918 3.16084096 7.48563671
0.00025279 -0.00034368 -0.00015591
-0.02911943 -0.00984558 -0.03486436
6.38643925 14.55245677 -13.05908492
0.00005625 0.00041058 0.00027073
-0.01420881 0.00483482 0.02524218
14.13036366 3.75982331 -2.79627830
-0.00000957 -0.00022429 0.00033845
-0.01097483 0.00415624 0.00847484
-6.27745985 11.04880062 -0.39877852
0.00015092 -0.00018304 0.00021722
0.00720866 -0.03802423 0.00292531
6.17381507 13.24055846 3.13653700
0.00001878 0.00033406 -0.00005247
-0.02328628 0.01945692 0.01278569
21.89839452 -12.20017766 -11.70555491
-0.00011385 0.00019012 -0.00022199
-0.02336185 -0.03598102 0.01586409
16.73390696 -6.33401530 3.37182837
0.00006269 -0.00000317 0.00017954
-0.01661218 -0.01390031 0.02296793
15.32154598 7.17090595 9.80195942
0.00006758 -0.00017812 -0.00027557
-0.01580278 0.00384308 0.00036658
3.02402542 -13.79110504 16.41120918
-0.00012323 0.00028638 -0.00042151
0.00136087 -0.01219098 -0.00730620
-3.57368613 -1.02342773 -10.81030221
-0.00001478 -0.00033082 -0.00022741
0.02280733 0.03565945 -0.01723789
15.35649312 -7.89064929 -9.52443890
-0.00004745 0.00011493 0.00020280
0.01076830 0.01071690 0.02831404
8.99960798 -3.53036000 6.38765605
0.00034560 -0.00036841 -0.00005349
0.02456746 -0.00132381 -0.03585123
-21.52310902 1.58940349 24.48860929
-0.00027549 -0.00005034 -0.00009699
0.01899074 0.01948187 0.01595924
24.90670208 -1.73514123 -6.48941048
0.00000799 -0.00004454 0.00002670
0.00347307 -0.00432629 -0.01272630
11.75246167 -11.84725314 -10.01302598
0.00028877 -0.00006343 -0.00008045
0.01262412 0.00682761 0.01383724
-4.79335299 -10.31020382 16.58836424
0.00032084 -0.00024878 0.00002477
-0.02283087 -0.00169515 -0.01356976
8.17362731 2.38594845 -30.70783326
0.00017280 0.00027817 -0.00055407
0.01878618 -0.01229330 0.00617730
10.91686667 17.07937794 14.70361542
0.00017759 -0.00039832 -0.00017440
-0.02359327 0.01965253 0.01838493
30.66376927 7.27588007 -7.58747442
0.00016270 -0.00004832 0.00027411
-0.00597986 -0.00020950 0.01030253
5.78991402 -30.17499781 -5.16559470
-0.00015222 -0.00007625 0.00021866
-0.00459988 0.02285256 -0.02517275
3.92651476 -30.87734854 -2.95634501
-0.00040658 0.00037416 0.00079436
0.00482041 0.01072573 -0.00242434
-12.51655909 -1.78993206 -13.41650625
-0.00038209 0.00047958 0.00033840
-0.00038872 -0.01422579 0.00728440
-11.64384887 0.71453855 -12.50988985
-0.00014917 -0.00033221 0.00091726
-0.00287133 -0.00117552 0.00162803
-38.13113523 3.97183558 2.30257725
-0.00043110 0.00087712 0.00046679
0.01898136 -0.02609088 0.02027782
-39.70766000 1.90205803 3.31549823
0.00010996 0.00064482 -0.00004483
0.00711345 -0.01401098 0.00731301
-9.77389596 -3.40432709 0.75880101
-0.00023475 -0.00043725 0.00044284
-0.00729755 0.00443705 0.00383132
-8.34995753 -3.51252923 3.43796683
-0.00154522 0.00063950 -0.00018941
-0.02187442 0.00861660 -0.02335226
0.15077464 -0.58637287 7.35831605
0.00030983 -0.00065123 0.00000944
-0.01072125 -0.00274664 -0.05592612
1.95897546 1.15888936 8.98237123
-0.00015168 0.00015744 0.00019847
-0.01055694 -0.01201607 -0.00700757
-32.25758893 0.98479840 2.44971039
-0.00051985 0.00015074 -0.00084103
-0.00681838 0.00988935 -0.01316725
-34.10415426 3.26363713 1.99518433
-0.00036745 0.00097982 -0.00092063
-0.02402732 -0.00039016 0.00153215
12.72742135 12.72640459 -15.40240544
-0.00077104 -0.00015118 -0.00047525
0.01622601 0.02553023 0.02165536
15.49000174 12.79524529 -15.00307581
-0.00029067 -0.00006837 0.00142383
0.00989552 0.00616883 0.00712548
-3.96528006 8.81877952 4.69499830
0.00009251 -0.00011732 -0.00084152
0.00208830 -0.00191333 -0.01279475
-3.56489467 6.88209231 2.30797735
-0.00086631 0.00063333 0.00104184
0.00732545 0.00408696 -0.00148758
6.07621325 15.93692713 -10.08908295
0.00048275 -0.00110868 -0.00015983
-0.00656106 0.00089649 -0.00685747
7.58602582 16.90842214 -7.94588144
0.00026760 0.00017935 0.00043873
0.00548348 0.00518327 0.00692744
7.84136563 7.17708569 -22.65940382
-0.00064539 0.00014324 -0.00023916
-0.01125783 0.00537206 0.02581414
7.90479575 7.87679107 -19.68313356
-0.00055133 0.00114324 -0.00025493
0.00047832 0.00097491 -0.01465346
21.73390053 17.83860483 -2.43500859
-0.00024141 -0.00039467 -0.00040221
-0.01121633 0.00227545 0.00081226
24.58223192 17.92879570 -3.36017858
-0.00033029 -0.00058550 0.00007481
-0.01995346 -0.00530670 0.01091011
1.24172105 11.21040471 -21.44833592
-0.00030538 0.00024253 0.00047895
-0.00639689 -0.03111296 -0.00207577
0.63522486 13.89486219 -22.28792946
-0.00008824 -0.00085980 0.00003427
0.00464395 0.00774978 0.00257595
9.77424224 -5.32703706 -1.63349158
0.00048894 0.00164596 -0.00028660
0.01392160 0.02323735 -0.00083154
9.27156527 -2.59843235 -2.71045860
0.00147077 -0.00080570 -0.00144445
-0.00714395 0.00249124 -0.00121223
-18.85815545 -4.09659320 5.27917406
0.00075102 0.00012671 -0.00002027
0.00077491 -0.01072198 -0.00451099
-17.09692941 -3.03674857 3.13627844
-0.00027353 -0.00033958 -0.00003955
-0.00362952 -0.01225758 -0.02044850
-15.42496804 0.24257146 16.78222530
0.00010042 0.00048139 0.00010966
0.00018940 0.00048809 -0.01144856
-13.78883552 1.03911593 18.93063356
0.00019761 -0.00024054 -0.00006348
0.01398472 0.01495511 0.00675360
3.11505345 3.75740113 -4.34545280
-0.00016115 0.00101789 0.00059064
0.00494021 0.00220361 -0.00656129
3.27537990 1.09008778 -3.12609213
-0.00045186 -0.00021570 0.00025028
0.01766291 -0.01500073 -0.01025943
22.96929770 -9.48887937 -10.31541211
0.00071151 -0.00074238 -0.00028446
0.00076533 -0.02779109 -0.00856476
24.93902046 -7.87456445 -8.57590661
0.00032255 -0.00024059 0.00016933
-0.01716601 -0.00469964 -0.01721883
2.41405968 -8.96006342 5.49184245
0.00031965 -0.00087977 0.00108503
-0.01450590 0.01502941 0.00744741
2.56108813 -8.09477957 8.19634777
-0.00027279 -0.00115781 0.00118572
-0.00867317 0.00916266 -0.00425788
-3.72728669 -2.88497115 -17.68038273
0.00108878 -0.00051228 -0.00060638
-0.00236662 0.01536628 -0.00239882
-5.01881786 -0.34182691 -16.98502617
-0.00033658 -0.00001311 -0.00030602
0.00839905 -0.00755340 -0.00382146
2.12381680 4.70480515 -12.03428028
-0.00118396 0.00021690 0.00002193
-0.00943214 0.00929166 -0.00929605
2.05169134 3.85213070 -9.25944682
-0.00102086 0.00107628 0.00001650
-0.00737079 0.00163126 -0.00052296
-1.04103011 16.39213810 13.18657062
0.00001975 0.00010107 -0.00023544
0.02661294 -0.01845705 0.00418103
-2.51534858 17.17315042 15.80155286
-0.00005877 0.00011498 0.00035413
0.00524341 -0.01094112 -0.03767584
-1.71189821 1.13724737 -5.58381028
-0.00058422 0.00043373 -0.00016243
-0.00704802 0.00032772 -0.00469335
-2.84897333 0.82081934 -8.45897993
-0.00025049 -0.00045141 0.00027559
0.00573129 0.02242475 0.03275651
-8.21569057 -3.13696930 -4.90411841
-0.00063827 -0.00086545 0.00066643
0.02469363 0.02842439 0.01150574
-7.34498850 -0.38571018 -3.96542967
0.00013261 0.00054099 0.00045920
-0.00530306 0.00125161 -0.00239290
1.37602286 28.32127469 5.69141186
-0.00045814 -0.00040582 -0.00039513
-0.02434064 0.00163558 0.03443814
-1.48919045 28.43007417 6.64262056
-0.00042468 -0.00037359 -0.00038168
0.05007317 -0.00861831 0.01112314
8.35832088 -9.13373353 -2.21931174
0.00028609 -0.00041681 0.00048951
0.00272232 -0.00675340 0.01092590
10.11605242 -10.01144040 0.10285816
0.00014669 0.00001045 0.00047915
-0.00277013 -0.00093234 0.01172147
-5.99847933 0.27412514 9.20926397
-0.00083591 0.00066738 -0.00050097
0.02719734 -0.00115026 0.00807571
-8.46505028 -0.22303682 8.26381994
-0.00015425 0.00021069 -0.00006053
0.00437400 0.00207170 -0.01835996
19.71268655 11.22027984 7.95517653
-0.00072448 0.00009434 0.00067586
-0.01213888 0.01642422 -0.03036637
19.49030888 13.24025854 5.61128340
0.00007329 0.00076065 0.00075950
-0.00179176 -0.02166179 0.01642761
-2.73406144 -2.38012168 -22.21451343
0.00118397 0.00072584 -0.00033503
-0.02822489 -0.03144535 -0.02635859
-4.82585815 -3.49396842 -24.23563077
-0.00055950 -0.00072872 -0.00045019
-0.01166774 0.01772239 -0.00580389
-12.48702650 9.17788265 9.55019112
0.00005537 -0.00007133 0.00046338
0.00139228 0.00094245 -0.00520160
-13.14753272 8.70996881 6.66997423
0.00031381 0.00015174 0.00022633
0.00986860 0.01170003 -0.00306653
-12.63916270 7.35008734 -4.53405180
-0.00061455 -0.00031358 -0.00080740
-0.00652202 0.00237912 -0.00037354
-11.50908836 9.19921221 -2.49480978
-0.00064963 -0.00080851 0.00009328
-0.01455076 -0.02341971 -0.00399941
-4.76661539 -17.32347649 19.98236199
0.00023125 0.00024504 -0.00066767
-0.04207228 -0.02304179 -0.01003573
-2.01130666 -16.98527799 19.53130144
-0.00019693 0.00062302 -0.00092249
0.01217079 -0.00066183 -0.00524494
-3.63319420 5.41897868 -6.97490692
0.00024630 -0.00041130 -0.00038921
0.00614460 -0.00189795 0.00111714
-3.69767173 8.42745060 -6.82642905
-0.00093746 0.00104637 0.00134145
-0.00818477 0.00686286 0.01164444
-21.18465631 28.19219924 0.29320366
0.00027822 -0.00025880 0.00106559
0.00504427 0.00134281 0.00500065
-18.84207680 29.46062574 1.58775644
-0.00089752 0.00042567 -0.00118371
-0.01019867 0.00083129 -0.01178866
8.56508744 2.49145096 6.15173180
-0.00116282 0.00038191 0.00052749
0.02624832 0.02013322 0.03080138
9.20977033 4.83086572 7.97450156
-0.00030225 0.00074317 0.00063297
-0.00171694 -0.00045261 0.00252886
7.10941918 15.21722518 -14.54497184
-0.00000575 0.00123881 0.00190433
0.01389119 0.01483478 -0.02213065
6.58976183 12.78574346 -13.16300450
0.00140065 -0.00094746 0.00015813
0.00541025 -0.02358325 -0.00203559
13.24011826 5.26970468 -3.49720965
-0.00035676 0.00002069 0.00016772
0.00669781 -0.02631579 0.02148342
13.35977623 3.30784543 -1.08899700
-0.00035282 -0.00121259 -0.00130372
0.00541049 0.01592373 -0.02915176
-5.21860555 9.50384836 -0.04576841
0.00044890 0.00042310 -0.00090900
-0.01749400 0.03001011 -0.01079503
-7.99753941 10.34747313 -0.23324036
0.00012994 -0.00123115 -0.00088016
0.01547057 0.01168754 0.00528427
4.61790956 12.89360990 2.20485662
0.00031804 0.00091587 0.00022780
0.00565652 0.00299631 -0.00193425
7.46352241 12.15602736 2.57884402
0.00159648 -0.00026760 -0.00013022
0.01604357 -0.01647859 -0.00494995
20.84217453 -12.90829671 -10.26437823
0.00108120 -0.00006950 0.00023000
0.01728365 0.00652386 -0.03051724
22.24996428 -13.71503759 -12.86662841
0.00089863 -0.00009057 -0.00011811
0.00116148 0.02368140 0.01752880
17.97579535 -5.98561407 2.14644509
0.00011264 0.00011438 -0.00104596
0.01250083 0.00076429 -0.02875057
16.25178832 -8.11636946 3.17952056
0.00080480 0.00067653 -0.00070267
0.00287587 0.01671190 -0.00339999
14.21187640 8.19446567 10.91066395
0.00084028 -0.00050370 -0.00046897
0.00654878 -0.00238962 -0.01465261
16.60101549 6.59427823 10.94375404
0.00026608 -0.00019794 -0.00045073
0.00794161 -0.00180518 0.00795434
2.10923727 -13.21101789 14.94715185
-0.00164995 -0.00099148 0.00040688
-0.00060485 -0.00039715 0.00087793
3.58597715 -12.30547795 17.27832106
0.00015626 -0.00010706 0.00095798
0.00490877 0.00784806 0.00280229
-3.48510971 -2.68294170 -10.07204227
-0.00005658 -0.00038216 0.00067623
0.00524460 -0.01459071 0.00851618
-1.87142249 -0.60715829 -11.66777030
-0.00032136 -0.00106189 -0.00012819
-0.02453261 -0.01411104 0.01214840
15.07602350 -7.64753302 -11.28325158
0.00058952 -0.00011569 -0.00130651
-0.00822908 -0.00293800 -0.02571715
16.95293599 -6.96828978 -9.07362953
0.00052130 0.00005788 -0.00091545
-0.01286119 -0.00918370 -0.00110323
7.46700235 -2.89709112 5.60252329
0.00124443 -0.00079909 0.00005751
-0.01334734 -0.00116880 0.01111369
10.14138030 -3.56286708 4.82401108
0.00081342 -0.00134142 0.00025529
-0.01006993 -0.00016363 0.02822499
-21.31193170 1.14577054 22.77982934
0.00106538 -0.00062582 -0.00008449
0.00175028 -0.00393577 -0.02155910
-22.92179764 0.67403828 25.14052858
-0.00061708 0.00026909 -0.00054927
-0.01877199 -0.01196533 0.00660609
25.63053592 -2.68132130 -7.92854908
0.00026008 0.00064805 -0.00068203
-0.00212046 0.00338104 0.01355079
23.66345393 -0.59717963 -7.17495604
-0.00007482 -0.00023132 -0.00056836
-0.00020128 -0.00159741 -0.00305925
11.30781664 -13.02099544 -8.63438727
-0.00042310 -0.00042103 -0.00000113
-0.00364142 0.01975228 -0.00874106
12.66884677 -10.30356910 -9.41095435
0.00064383 0.00012531 -0.00011832
-0.00908399 -0.02763234 -0.00872290
-5.51787876 -10.39732964 18.27554885
-0.00059184 0.00020214 -0.00104307
0.00163914 -0.00219276 0.00371779
-6.22980023 -9.89975696 15.42563595
-0.00063312 -0.00012145 -0.00017913
0.02746465 -0.00416499 0.01534849
9.13945122 1.18812206 -31.79016112
0.00053604 0.00043395 0.00009329
-0.01603887 0.00489309 0.00861689
6.56512678 2.63316147 -31.47780339
0.00036585 0.00041140 -0.00108862
-0.01272966 -0.00018901 -0.01454998
11.39295879 18.09028056 13.29411829
0.00006701 -0.00036046 -0.00101586
0.00587179 0.00681042 -0.01493154
11.87464189 15.58797681 14.65142578
-0.00031598 -0.00049877 -0.00009667
0.02017173 -0.01932783 -0.00693460
30.78309583 5.46411461 -7.92533278
0.00054984 0.00002738 0.00044394
0.00448594 -0.00728967 -0.00523395
28.84827689 7.51427402 -7.37983831
-0.00170596 -0.00061730 -0.00027039
0.00278788 0.00688051 -0.00025361
-8.41840132 4.85195732 5.64421391
0.00003190 -0.00009481 0.00001931
0.00822967 0.00677587 0.00422795
-10.74065217 10.14500963 3.39800627
0.00004060 -0.00001190 -0.00011355
-0.00303757 -0.00712940 0.00486051
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08331347
0.33388849
444.88967409
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3251108501 (a.u.)
total exchange computation time: 2.7429289818 s
-153.9959874221
-931.41752776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579215116
ExchangeOperator: pair fraction: ispin=0: 0.1412871823
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3250976544 (a.u.)
total exchange computation time: 2.7411768436 s
-153.9963443020
Anderson extrapolation: theta=1.3767938487 (1.3767938487)
-931.41775126
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3250894167 (a.u.)
total exchange computation time: 2.7645301819 s
-153.9975251997
Anderson extrapolation: theta=0.0298041515 (0.0298041515)
-931.41800204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3249944098 (a.u.)
total exchange computation time: 2.7634429932 s
-153.9981378761
Anderson extrapolation: theta=2.6852567547 (2.0000000000)
-931.41800975
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3247688173 (a.u.)
total exchange computation time: 2.7648730278 s
-153.9995482214
Anderson extrapolation: theta=0.4962480025 (0.4962480025)
-931.41802131
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3246512128 (a.u.)
total exchange computation time: 2.7636780739 s
-154.0002291253
Anderson extrapolation: theta=0.7070195837 (0.7070195837)
-931.41802520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3245793998 (a.u.)
total exchange computation time: 2.7616429329 s
-154.0005856782
Anderson extrapolation: theta=0.7766871726 (0.7766871726)
-931.41802756
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3245414755 (a.u.)
total exchange computation time: 2.7625608444 s
-154.0007100037
Anderson extrapolation: theta=0.5465211529 (0.5465211529)
-931.41802905
-167.304473 121.390789 -36.226733
566.420222 1066.418401 -418.593176
399.115749 1187.809190 -454.819909
1333.058589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422390481
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3245364923 (a.u.)
total exchange computation time: 2.7618911266 s
678.20317440
-1082.25954304
89.74850468
-390.09751910
-174.68811016
77.43888876
551.60419304
0.00000000
-931.41802973
5.51892967 -31.25174850 -3.77610277
-0.00024232 -0.00018663 -0.00001253
-0.01143959 -0.02769481 0.02598799
-11.85953909 -1.00044171 -11.82531991
-0.00009330 0.00017950 -0.00005889
0.01093650 0.00937097 -0.00354943
-37.89788499 2.31986204 3.31677142
0.00021303 0.00003631 -0.00020719
-0.02592368 0.04371385 -0.02622977
-9.81729311 -2.74369076 2.48482307
-0.00041638 0.00011523 0.00002623
0.02979557 -0.00297737 0.03388128
0.78995689 -0.27068810 8.93637854
0.00029560 -0.00017195 -0.00005382
0.01958755 0.01169673 0.06102454
-32.41105567 2.74431774 1.79587602
0.00006401 -0.00014113 0.00002340
0.02760080 -0.01370261 0.00859985
14.02806110 13.75329701 -14.42354008
0.00035141 0.00029985 -0.00029621
-0.03402521 -0.02924289 -0.02857289
-4.13788965 7.07680993 4.02026774
-0.00043860 -0.00014089 -0.00030472
-0.01114612 -0.00544461 0.03159515
5.82197967 16.70629977 -8.42061615
0.00017013 0.00000366 0.00032432
0.00315919 -0.00956224 -0.00279977
6.78579029 7.25469998 -21.02435549
-0.00013293 0.00021349 0.00008306
0.00927833 -0.01138217 -0.01241173
23.37753949 17.11152103 -2.17903590
-0.00020807 0.00000362 0.00026973
0.03845257 -0.00334159 -0.01255321
1.40111567 12.91810197 -20.93877126
0.00010171 0.00015986 0.00026134
0.00034476 0.01653277 -0.00191609
10.42635815 -3.55046438 -1.67330672
0.00001826 -0.00000125 0.00006730
-0.00541205 -0.02695980 -0.00757918
-17.84934657 -2.69140410 4.71912236
0.00016038 -0.00006291 0.00018270
-0.00287309 0.02093715 0.01544370
-15.28564845 0.12933208 18.58018363
0.00001124 -0.00008757 -0.00014883
0.00009173 -0.01989915 0.00576880
2.71260990 2.76796828 -2.89588410
-0.00033506 0.00010407 0.00013654
-0.03110214 0.02107123 0.01997452
23.42745184 -7.88766322 -9.66849743
0.00006269 -0.00012637 -0.00020461
0.02630908 0.03281836 0.02126574
1.47002370 -7.91071933 6.71515205
0.00018969 0.00021481 0.00000705
0.02561462 -0.01410250 -0.00138499
-3.68421807 -1.06657226 -18.08669473
0.00031123 0.00042658 0.00033519
0.00312688 -0.01659537 0.00492861
3.17105955 4.26969648 -10.62136940
-0.00013520 -0.00007040 0.00032185
0.00825708 -0.00921222 0.00636015
-2.62158819 16.82412028 13.94639017
0.00002402 -0.00001996 0.00017375
-0.03808046 0.02922588 0.03527684
-2.27317085 2.10601660 -7.02648228
0.00001798 0.00009520 0.00012174
-0.00333237 -0.02475294 -0.02948466
-6.72039156 -2.02455068 -4.47053425
-0.00015770 -0.00000396 -0.00018598
-0.02603358 -0.02812855 -0.00855732
0.37636927 28.26824519 7.34807767
0.00007499 0.00016038 0.00016644
-0.03351765 0.00374789 -0.05746527
10.06886190 -9.13697944 -1.48868761
0.00013297 0.00000546 -0.00025047
0.00661513 0.00466319 -0.01925911
-6.85152585 0.45847845 7.61596406
-0.00008717 0.00026246 0.00030501
-0.03944870 0.00125241 0.00438287
18.73734668 11.69278540 6.35964209
0.00033420 -0.00018583 0.00016323
0.01561528 0.00311838 0.01631932
-3.32775048 -3.86850765 -23.27654863
-0.00014697 0.00034219 0.00009728
0.03167899 0.02147354 0.03352554
-13.63215093 8.33055629 8.38306587
-0.00001758 0.00008565 0.00028763
-0.00940820 -0.01024282 0.00835897
-12.16215305 7.43086284 -2.73989419
-0.00026209 -0.00011199 -0.00032822
0.01426465 0.02097388 -0.00107198
-3.39969687 -16.34400225 20.48627642
-0.00044562 -0.00025803 0.00021496
0.03599876 0.02729105 0.01908781
-3.39675127 6.98400723 -7.88425435
-0.00045397 0.00010769 0.00003574
0.00055788 0.01344262 -0.01130515
-20.68288427 29.61479329 1.32943177
0.00010470 0.00023510 -0.00006146
0.00323411 0.00396610 0.00759422
9.85764864 3.15564781 7.48316362
0.00023660 -0.00034648 -0.00017317
-0.03380398 -0.00107087 -0.03227596
6.38722817 14.55863415 -13.05492654
0.00004825 0.00040863 0.00028573
-0.01689642 -0.01244063 0.03305967
14.13017773 3.75647506 -2.79116889
-0.00001498 -0.00022147 0.00034108
-0.01004537 0.00678703 0.00175282
-6.27516829 11.04590841 -0.39550890
0.00015366 -0.00020209 0.00021845
0.00347403 -0.03607564 0.00186505
6.17400695 13.24564441 3.13579925
0.00001026 0.00034223 -0.00004633
-0.00985521 0.01230494 0.01108980
21.89659668 -12.19746461 -11.70882359
-0.00012536 0.00017146 -0.00021419
-0.02139824 -0.03657304 0.01448098
16.73478321 -6.33411642 3.37461011
0.00005620 -0.00000869 0.00018977
-0.00860904 -0.00756266 0.01678954
15.32249869 7.16824897 9.79782732
0.00006031 -0.00017686 -0.00027599
-0.01245882 0.00104985 -0.00201518
3.02218217 -13.78685636 16.40485830
-0.00012181 0.00028010 -0.00042422
0.00417869 -0.01224097 -0.00322844
-3.57381979 -1.02825254 -10.81377985
-0.00000342 -0.00031348 -0.00023555
0.02133734 0.03178042 -0.01440451
15.35582294 -7.88888400 -9.52128774
-0.00004201 0.00012101 0.00021437
0.01036598 0.01290954 0.01671198
9.00488680 -3.53589122 6.38671541
0.00035970 -0.00036985 -0.00007106
0.03025008 -0.00427810 -0.03246233
-21.52716806 1.58872347 24.48721606
-0.00026557 -0.00004041 -0.00008951
0.01956358 0.01916115 0.01310015
24.90683535 -1.73582599 -6.48905905
0.00000965 -0.00004674 0.00001944
0.00297469 -0.00425155 -0.01550102
11.75684186 -11.84817820 -10.01417942
0.00029521 -0.00006006 -0.00007286
0.01242552 0.00624759 0.01571388
-4.78862839 -10.31394201 16.58868350
0.00030831 -0.00024937 0.00001608
-0.02592220 -0.00062258 -0.02023769
8.17629178 2.39007350 -30.71612043
0.00018205 0.00027221 -0.00055066
0.01717481 -0.01086949 0.00705839
10.91943956 17.07347891 14.70107031
0.00016567 -0.00038705 -0.00016599
-0.02275825 0.02419614 0.01433045
30.66618670 7.27515438 -7.58332303
0.00015669 -0.00004793 0.00027973
-0.01737556 0.00174418 0.01156794
5.78748969 -30.17544132 -5.16308622
-0.00017102 0.00001804 0.00011513
-0.00460212 0.02330272 -0.02550250
3.92056381 -30.87140750 -2.94450387
-0.00037876 0.00041619 0.00077984
0.00879628 0.00985150 -0.00468446
-12.52230241 -1.78317428 -13.41120702
-0.00038424 0.00042040 0.00036527
-0.00066119 -0.01474290 0.00586936
-11.64617447 0.70951934 -12.49608106
-0.00015933 -0.00032718 0.00091900
-0.00209927 0.00363715 -0.00077413
-38.13702007 3.98419282 2.31020046
-0.00035153 0.00076776 0.00055042
0.01996687 -0.02743840 0.02066003
-39.70579256 1.91130104 3.31504980
0.00013843 0.00058613 -0.00001464
0.00682143 -0.01472163 0.00746650
-9.77764084 -3.41074985 0.76556105
-0.00026443 -0.00041943 0.00045616
-0.00723188 0.00428309 0.00268694
-8.37380620 -3.50267272 3.43441004
-0.00162269 0.00066933 -0.00027706
-0.01604741 0.00598459 -0.01955224
0.15509363 -0.59622551 7.35674384
0.00026749 -0.00066169 -0.00021672
-0.01000826 -0.00237252 -0.05477809
1.95637674 1.16088279 8.98513354
-0.00019440 0.00010853 0.00016908
-0.01035338 -0.01192929 -0.00737823
-32.26559567 0.98736257 2.43669147
-0.00054844 0.00018478 -0.00089107
-0.00717268 0.00677106 -0.01132941
-34.11040233 3.27832242 1.98142177
-0.00045373 0.00097357 -0.00091513
-0.01820628 -0.00266544 0.00116320
12.71635291 12.72491925 -15.40887054
-0.00069546 -0.00004169 -0.00038212
0.02077440 0.02806702 0.02392994
15.48594495 12.79440883 -14.98149999
-0.00024150 -0.00005014 0.00144707
0.01417064 0.00275514 0.00424762
-3.96382842 8.81696115 4.68198348
0.00010023 -0.00012433 -0.00089105
0.00169300 -0.00152089 -0.01145200
-3.57766487 6.89171754 2.32355941
-0.00082909 0.00064578 0.00101209
0.01089312 0.00200683 -0.01307774
6.08325340 15.92032443 -10.09169057
0.00045480 -0.00109936 -0.00017687
-0.00711766 0.00366440 -0.00148203
7.59020780 16.91127118 -7.93908815
0.00028760 0.00019992 0.00046584
0.00430623 0.00488888 0.00634128
7.83133984 7.17939885 -22.66220022
-0.00069025 0.00016521 -0.00013321
-0.01070016 0.00538629 0.02604967
7.89654051 7.89396954 -19.68740658
-0.00054742 0.00114753 -0.00031317
0.00143431 0.00112546 -0.01385461
21.72993569 17.83275445 -2.44101686
-0.00028746 -0.00038542 -0.00039869
-0.01132757 0.00225257 0.00091095
24.57666608 17.91985055 -3.35872204
-0.00040945 -0.00060555 0.00011732
-0.01879425 -0.00450715 0.00989438
1.23694437 11.21308923 -21.44121525
-0.00033081 0.00011417 0.00047150
-0.00605111 -0.03171664 -0.00157069
0.63404364 13.88220272 -22.28733654
-0.00007125 -0.00082426 0.00004213
0.00367189 0.00964448 0.00127582
9.78200297 -5.30163559 -1.63781613
0.00053834 0.00171945 -0.00028907
0.01025734 0.01273713 -0.00037340
9.29340792 -2.61044151 -2.73216256
0.00143783 -0.00079092 -0.00145321
-0.00898304 0.00474303 -0.00307356
-18.84686641 -4.09502117 5.27873172
0.00074899 0.00007657 -0.00003528
-0.00176938 -0.01381737 -0.00283253
-17.10114358 -3.04221788 3.13505859
-0.00028845 -0.00038842 -0.00012117
-0.00367457 -0.01164894 -0.01950546
-15.42345598 0.24980732 16.78351934
0.00010024 0.00048350 0.00005932
-0.00027763 0.00054107 -0.01319066
-13.78544283 1.03596607 18.92988831
0.00025268 -0.00018092 -0.00003567
0.01297307 0.01422801 0.00685723
3.11278757 3.77273698 -4.33679424
-0.00014116 0.00102360 0.00056602
0.00484691 0.00059366 -0.00549144
3.26914321 1.08639268 -3.12265228
-0.00038083 -0.00027138 0.00020737
0.01710631 -0.01225577 -0.01074839
22.97999382 -9.50086666 -10.31994140
0.00071579 -0.00084889 -0.00031704
0.00132992 -0.02434509 -0.00738589
24.94333270 -7.87831727 -8.57389435
0.00024846 -0.00025883 0.00009626
-0.01910306 -0.00422790 -0.01854558
2.41840996 -8.97279943 5.50834615
0.00026052 -0.00081814 0.00111347
-0.01444102 0.01514121 0.00647330
2.55673056 -8.11186597 8.21400311
-0.00031498 -0.00111776 0.00115958
-0.01198135 0.01044287 -0.00853776
-3.71102754 -2.89218448 -17.68955191
0.00107771 -0.00043967 -0.00061693
-0.00304996 0.02017494 -0.00276705
-5.02360914 -0.34225506 -16.98973350
-0.00030241 -0.00004486 -0.00032030
0.00832810 -0.00798733 -0.00317249
2.10576838 4.70834330 -12.03423622
-0.00121235 0.00025142 -0.00000630
-0.00446632 0.00761025 -0.00452399
2.03615265 3.86832483 -9.25921533
-0.00104903 0.00108214 0.00001552
-0.00641876 0.00123876 0.00004309
-1.03991832 16.39308862 13.18316712
0.00012648 0.00002632 -0.00021672
0.02562874 -0.01813706 0.00498204
-2.51606950 17.17453991 15.80571031
-0.00003704 0.00006981 0.00019846
0.00539389 -0.01117123 -0.03852710
-1.72087748 1.14376334 -5.58639054
-0.00060964 0.00043033 -0.00017348
-0.00539666 -0.00199034 -0.00071375
-2.85255506 0.81473531 -8.45384237
-0.00022636 -0.00035767 0.00040923
0.00608041 0.02346231 0.03266477
-8.22450791 -3.14908005 -4.89376931
-0.00053267 -0.00074390 0.00071416
0.02699882 0.03107480 0.01185396
-7.34316192 -0.37755690 -3.95861505
0.00011292 0.00053777 0.00044688
-0.00433542 -0.00282953 -0.00363794
1.36840495 28.31523748 5.68654027
-0.00055630 -0.00039871 -0.00025290
-0.02370938 0.00184484 0.03518146
-1.49402623 28.42420630 6.63723625
-0.00021706 -0.00040813 -0.00033326
0.05155797 -0.00829249 0.01257610
8.36269560 -9.14019258 -2.21163422
0.00029224 -0.00044346 0.00053110
0.00029106 -0.00629242 0.00943256
10.11816795 -10.01131216 0.11040459
0.00013619 0.00001152 0.00051765
-0.00237329 0.00145455 0.00712640
-6.01018449 0.28410064 9.20199687
-0.00071663 0.00066138 -0.00045367
0.03119072 -0.00178605 0.01507895
-8.46723002 -0.21981304 8.26234937
-0.00013708 0.00021904 -0.00013551
0.00403218 0.00201739 -0.01834239
19.70144738 11.22219828 7.96438396
-0.00077182 0.00016052 0.00055286
-0.01103246 0.01596829 -0.02984524
19.49135338 13.25100450 5.62317930
0.00006407 0.00066764 0.00082836
-0.00272210 -0.02386755 0.01727767
-2.71716677 -2.37019765 -22.22034656
0.00106478 0.00059485 -0.00044543
-0.03011978 -0.03267389 -0.02768367
-4.83460815 -3.50435620 -24.24256145
-0.00060145 -0.00065492 -0.00046968
-0.00886757 0.01840355 -0.00373696
-12.48615323 9.17684161 9.55698238
0.00006084 -0.00006793 0.00044179
0.00128419 0.00071975 -0.00536468
-13.14252312 8.71260340 6.67327520
0.00035336 0.00019872 0.00021600
0.00949247 0.01130027 -0.00198925
-12.64858081 7.34545651 -4.54617424
-0.00063930 -0.00030250 -0.00080273
-0.00559126 0.00304460 0.00266069
-11.51927874 9.18636693 -2.49353319
-0.00070583 -0.00089544 0.00007710
-0.01295997 -0.01913365 -0.00391924
-4.76443589 -17.32050703 19.97203945
0.00005229 0.00014607 -0.00071102
-0.04553047 -0.02540408 -0.01118654
-2.01388766 -16.97595292 19.51730333
-0.00015356 0.00062388 -0.00093892
0.00905744 0.00108285 -0.00279723
-3.62931147 5.41275103 -6.98071077
0.00027137 -0.00041716 -0.00038496
0.00612707 -0.00096910 0.00096179
-3.71198445 8.44335643 -6.80595043
-0.00096680 0.00105520 0.00137478
-0.00617646 -0.00253834 0.00466693
-21.18032841 28.18835840 0.30934073
0.00029553 -0.00025706 0.00108277
0.00342962 -0.00048933 0.00341184
-18.85585213 29.46703620 1.56963955
-0.00092311 0.00042896 -0.00122793
-0.00232748 0.00078008 -0.00985727
8.54844941 2.49779648 6.16058801
-0.00105300 0.00046284 0.00065240
0.02751169 0.01948669 0.03034334
9.20518402 4.84199942 7.98407358
-0.00030202 0.00072553 0.00063864
0.00182574 -0.00818400 0.00024722
7.10975861 15.23626187 -14.51708499
0.00005917 0.00130609 0.00179791
0.01788934 0.01810310 -0.02996542
6.61093741 12.77080888 -13.16069497
0.00142012 -0.00101553 0.00015021
0.00411960 -0.00973506 -0.00184132
13.23497215 5.26920857 -3.49403550
-0.00032760 -0.00009057 0.00025726
0.00757413 -0.02814672 0.02234531
13.35464976 3.29014446 -1.10944605
-0.00033473 -0.00114896 -0.00141102
0.00344388 0.01522365 -0.02337393
-5.21240814 9.51111452 -0.05973418
0.00038136 0.00053954 -0.00095131
-0.01556561 0.02698637 -0.00991877
-7.99511621 10.32936408 -0.24628080
0.00019682 -0.00118141 -0.00085846
0.01726600 0.01265818 0.00533563
4.62285346 12.90743976 2.20821439
0.00033604 0.00092512 0.00021538
0.00315583 0.00153423 -0.00414537
7.48796122 12.15150839 2.57673904
0.00163985 -0.00031767 -0.00014208
0.00518772 -0.00803097 -0.00085632
20.85892215 -12.90913933 -10.26186330
0.00114877 -0.00004390 0.00010732
0.01579120 0.00600996 -0.02953742
22.26347930 -13.71567041 -12.86786297
0.00090159 0.00000834 -0.00004564
0.00028718 0.02473602 0.01794680
17.97786797 -5.98387493 2.12987468
0.00015187 0.00011619 -0.00115130
0.00670222 0.00012055 -0.02281661
16.26394851 -8.10570942 3.16887631
0.00081227 0.00073311 -0.00071599
0.00077698 0.01098575 -0.00311831
14.22468127 8.18683695 10.90318039
0.00086065 -0.00050807 -0.00052298
0.00342460 0.00025101 -0.01178772
16.60525012 6.59125389 10.93723687
0.00029804 -0.00020510 -0.00041903
0.00770003 -0.00170120 0.00756041
2.08446954 -13.22590219 14.95328193
-0.00165355 -0.00098851 0.00040867
-0.00115828 0.00184811 -0.00000133
3.58847139 -12.30684329 17.29277662
0.00017227 -0.00007945 0.00096287
0.00292856 0.00566274 -0.00040824
-3.48579776 -2.68912125 -10.06163784
-0.00003563 -0.00043557 0.00070820
0.00500985 -0.01155257 0.00713225
-1.87699457 -0.62351897 -11.66932082
-0.00041795 -0.00111757 -0.00008016
-0.02275226 -0.01314926 0.01135828
15.08461421 -7.64935846 -11.30363725
0.00055730 -0.00013159 -0.00138967
-0.00754340 -0.00484225 -0.01499203
16.96036133 -6.96770299 -9.08739509
0.00046717 0.00001936 -0.00091762
-0.01363469 -0.00967003 0.00003916
7.48525973 -2.90911335 5.60372644
0.00117890 -0.00079887 0.00009609
-0.01872963 0.00127811 0.00777487
10.15327299 -3.58299339 4.82870531
0.00077076 -0.00134077 0.00037037
-0.01081249 0.00048252 0.02810878
-21.29589739 1.13626270 22.77790136
0.00107162 -0.00064070 -0.00016626
0.00130251 -0.00335240 -0.01846663
-22.93162905 0.67770804 25.13249194
-0.00069414 0.00021988 -0.00052243
-0.01894864 -0.01212526 0.00653318
25.63437208 -2.67149693 -7.93836428
0.00025087 0.00066232 -0.00062296
-0.00238425 0.00360462 0.01536610
23.66232547 -0.60069835 -7.18357521
-0.00007431 -0.00023853 -0.00057870
0.00045001 -0.00193479 -0.00200233
11.30135857 -13.02670568 -8.63467212
-0.00043603 -0.00033640 -0.00004042
-0.00268781 0.02167633 -0.01049090
12.67822590 -10.30253616 -9.41299650
0.00060497 0.00000984 -0.00015429
-0.00994021 -0.02889144 -0.00888064
-5.52670617 -10.39436475 18.26001668
-0.00058682 0.00019230 -0.00101777
0.00081920 -0.00262367 0.00866986
-6.23845542 -9.90170627 15.42341928
-0.00051245 -0.00014003 -0.00011327
0.03160623 -0.00493465 0.01689162
9.14700028 1.19478124 -31.78849777
0.00047156 0.00045183 0.00012664
-0.01552400 0.00386161 0.00771168
6.57022443 2.63932669 -31.49457857
0.00031560 0.00041014 -0.00114715
-0.01186829 -0.00042964 -0.01410089
11.39414383 18.08508237 13.27842286
0.00008816 -0.00033955 -0.00106753
0.00448319 0.00342563 -0.01036252
11.87052037 15.57990295 14.64976318
-0.00023237 -0.00057956 -0.00012545
0.02075536 -0.02021887 -0.00715002
30.79148092 5.46430186 -7.91883410
0.00056799 -0.00000365 0.00042205
0.00439720 -0.00789692 -0.00548190
28.82277293 7.50522538 -7.38390192
-0.00167159 -0.00059175 -0.00027351
0.01403416 0.00562560 -0.00127292
-8.41790074 4.85055340 5.64451499
0.00003481 -0.00009242 0.00002080
0.00803489 0.00656463 0.00407578
-10.74004853 10.14481875 3.39631150
0.00003986 -0.00001353 -0.00011239
-0.00326640 -0.00695101 0.00508531
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08342726
0.33460246
445.84100923
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3190641883 (a.u.)
total exchange computation time: 2.9237809181 s
-153.9689335177
-931.41690290
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3192161312 (a.u.)
total exchange computation time: 2.9237730503 s
-153.9682996986
Anderson extrapolation: theta=1.3551352758 (1.3551352758)
-931.41711337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3193661556 (a.u.)
total exchange computation time: 2.9247210026 s
-153.9678243193
Anderson extrapolation: theta=0.0534497034 (0.0534497034)
-931.41723933
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3193260411 (a.u.)
total exchange computation time: 2.9232029915 s
-153.9681762253
Anderson extrapolation: theta=2.0083228879 (2.0000000000)
-931.41724428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3192291032 (a.u.)
total exchange computation time: 2.9264130592 s
-153.9689688717
Anderson extrapolation: theta=0.2346456396 (0.2346456396)
-931.41724990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3192027139 (a.u.)
total exchange computation time: 2.9262950420 s
-153.9691432106
Anderson extrapolation: theta=1.8283255087 (1.8283255087)
-931.41725108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3191694443 (a.u.)
total exchange computation time: 2.9233770370 s
-153.9693125537
Anderson extrapolation: theta=0.2904775599 (0.2904775599)
-931.41725254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3191746694 (a.u.)
total exchange computation time: 2.9228851795 s
-153.9692225369
Anderson extrapolation: theta=1.2768462366 (1.2768462366)
-931.41725292
-167.330553 121.394342 -36.276266
566.412484 1066.413022 -418.603132
399.081932 1187.807364 -454.879398
1333.067136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1415467820
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3191916389 (a.u.)
total exchange computation time: 2.9254999161 s
678.12094545
-1082.08780184
89.75793214
-390.21499765
-174.67413970
77.34205862
551.60419304
0.00000000
-931.41725324
5.51525080 -31.25465480 -3.77619052
-0.00024911 -0.00020057 0.00000118
-0.01496468 -0.02649987 0.02734675
-11.86089642 -0.99771304 -11.82621699
-0.00008774 0.00018305 -0.00005979
0.01070400 0.00441549 0.00005850
-37.89478960 2.32057527 3.31356241
0.00019960 0.00005914 -0.00022067
-0.02628225 0.04505835 -0.02618317
-9.82342390 -2.74197373 2.48534719
-0.00040268 0.00011450 0.00004274
0.02347979 0.00012779 0.03032913
0.79446639 -0.27322226 8.93580665
0.00030512 -0.00016631 -0.00002335
0.01746488 0.01024130 0.05747788
-32.40998913 2.74214788 1.79626014
0.00007656 -0.00014655 0.00002747
0.02121022 -0.00734155 0.00723963
14.03320103 13.75768198 -14.42809345
0.00033197 0.00028523 -0.00031070
-0.04159451 -0.02761371 -0.02776734
-4.14451163 7.07467555 4.01581887
-0.00044514 -0.00014327 -0.00028571
-0.01430971 -0.00380747 0.04231093
5.82454374 16.70631783 -8.41576210
0.00017219 -0.00000186 0.00032173
0.00488658 -0.01191613 -0.00728753
6.78383211 7.25785846 -21.02315742
-0.00012862 0.00020754 0.00007648
0.00750534 -0.01178005 -0.01319048
23.37456670 17.11156247 -2.17503843
-0.00018880 0.00000172 0.00026360
0.03651333 -0.00406143 -0.01126213
1.40264259 12.92056369 -20.93485861
0.00010198 0.00016778 0.00026047
0.00071826 0.01426362 -0.00146572
10.42661123 -3.55058711 -1.67232642
0.00001687 -0.00001247 0.00006365
0.00000083 -0.01665784 -0.00661042
-17.84695201 -2.69226699 4.72192240
0.00015962 -0.00005162 0.00018985
-0.00007692 0.02294756 0.01238232
-15.28547944 0.12794171 18.57797339
0.00001176 -0.00009751 -0.00014555
0.00192098 -0.01872454 0.00699166
2.70746403 2.76961065 -2.89375897
-0.00035073 0.00011444 0.00014650
-0.02985098 0.01924706 0.01875440
23.42849366 -7.88943221 -9.67148456
0.00007635 -0.00011077 -0.00019387
0.02682097 0.02786098 0.02049375
1.47296783 -7.90755159 6.71525239
0.00020348 0.00020732 0.00000766
0.02803255 -0.01500222 0.00377889
-3.67953756 -1.06023756 -18.08164791
0.00031308 0.00041707 0.00033762
0.00405534 -0.02040265 0.00452668
3.16906334 4.26860497 -10.61651716
-0.00013252 -0.00007463 0.00032378
0.00217735 -0.00725831 0.00115485
-2.62137475 16.82393357 13.94913248
0.00000498 -0.00000511 0.00019145
-0.03597615 0.02852494 0.03357433
-2.27291401 2.10734916 -7.02476990
0.00001579 0.00008293 0.00010555
-0.00517936 -0.02296643 -0.03348340
-6.72285751 -2.02471859 -4.47335693
-0.00017170 -0.00001793 -0.00019010
-0.02842028 -0.02618141 -0.00746149
0.37736479 28.27066531 7.35035257
0.00005734 0.00016217 0.00013667
-0.03508864 0.00321663 -0.05830730
10.07088194 -9.13687954 -1.49251890
0.00013701 0.00000712 -0.00025879
0.00909045 0.00178272 -0.01309586
-6.85298552 0.46242015 7.62055615
-0.00010825 0.00026333 0.00030544
-0.04252675 0.00214344 -0.00271246
18.74241990 11.69000995 6.36215345
0.00034201 -0.00018366 0.00017113
0.01476018 0.00533159 0.01442360
-3.32983290 -3.86329191 -23.27496009
-0.00013118 0.00035321 0.00011406
0.02975884 0.02137873 0.03170713
-13.63245093 8.33180152 8.38741253
-0.00002223 0.00008053 0.00029160
-0.00866784 -0.00966320 0.00710479
-12.16602934 7.42926394 -2.74482166
-0.00025547 -0.00010268 -0.00032956
0.01145553 0.01521402 -0.00412650
-3.40624226 -16.34776742 20.48957441
-0.00042579 -0.00024415 0.00022425
0.04110189 0.02666725 0.01706740
-3.40355862 6.98567448 -7.88376190
-0.00045411 0.00011657 0.00003162
-0.00111685 0.02106489 -0.00468891
-20.68130122 29.61833506 1.32853914
0.00010451 0.00023755 -0.00005760
-0.00398601 0.00555731 0.00741292
9.86106731 3.15044641 7.48044153
0.00021825 -0.00034490 -0.00018897
-0.03756488 0.00722738 -0.02915355
6.38788674 14.56471556 -13.05051311
0.00003906 0.00039808 0.00030437
-0.01883817 -0.02855424 0.03944687
14.12991430 3.75317917 -2.78604597
-0.00001968 -0.00021737 0.00034013
-0.00823401 0.00916699 -0.00542366
-6.27284993 11.04273789 -0.39222490
0.00015445 -0.00021986 0.00021909
-0.00041513 -0.03301416 0.00060877
6.17412279 13.25082529 3.13514706
0.00000857 0.00034683 -0.00004098
0.00330728 0.00559472 0.00970315
21.89463375 -12.19503371 -11.71198055
-0.00013574 0.00015273 -0.00020719
-0.01898921 -0.03627759 0.01274436
16.73559305 -6.33427588 3.37752138
0.00005392 -0.00001078 0.00019673
-0.00028349 -0.00059715 0.01027248
15.32335528 7.16560010 9.79367967
0.00005492 -0.00017715 -0.00027766
-0.00848289 -0.00216202 -0.00447314
3.02037116 -13.78270212 16.39848253
-0.00011893 0.00027388 -0.00042486
0.00700793 -0.01193963 0.00073169
-3.57378883 -1.03283218 -10.81736861
0.00000699 -0.00029834 -0.00024210
0.01916135 0.02709446 -0.01107269
15.35523274 -7.88701911 -9.51800765
-0.00003683 0.00012810 0.00022001
0.00979548 0.01468834 0.00518515
9.01039899 -3.54145544 6.38552434
0.00037657 -0.00037279 -0.00008670
0.03536311 -0.00716020 -0.02837160
-21.53107616 1.58819127 24.48592388
-0.00025551 -0.00003083 -0.00008366
0.01957003 0.01808652 0.00967917
24.90699156 -1.73654355 -6.48882720
0.00001101 -0.00004885 0.00001086
0.00231916 -0.00393438 -0.01788536
11.76131790 -11.84905507 -10.01521164
0.00030146 -0.00005708 -0.00006448
0.01189870 0.00536642 0.01684922
-4.78410376 -10.31768501 16.58884664
0.00029443 -0.00024949 0.00000421
-0.02802700 0.00015766 -0.02591883
8.17908874 2.39411471 -30.72435314
0.00019022 0.00026709 -0.00054684
0.01460331 -0.00903124 0.00779325
10.92183688 17.06776656 14.69863576
0.00015439 -0.00037371 -0.00015974
-0.02111318 0.02765163 0.00996457
30.66847008 7.27444216 -7.57908241
0.00014520 -0.00004667 0.00028591
-0.02733656 0.00314415 0.01243524
5.78478331 -30.17445670 -5.16214069
-0.00019017 0.00011237 0.00001249
-0.00476962 0.02287509 -0.02474116
3.91515196 -30.86486269 -2.93294982
-0.00033549 0.00045468 0.00075646
0.01238392 0.00898529 -0.00675878
-12.52808626 -1.77732004 -13.40554808
-0.00038745 0.00035932 0.00038639
-0.00091012 -0.01515812 0.00446630
-11.64862873 0.70472305 -12.48231970
-0.00016629 -0.00030224 0.00091089
-0.00131008 0.00857107 -0.00319970
-38.14168121 3.99486847 2.31908985
-0.00026840 0.00065404 0.00063480
0.02072491 -0.02822822 0.02064291
-39.70350706 1.91964181 3.31505897
0.00016546 0.00052466 0.00001603
0.00640952 -0.01536702 0.00754650
-9.78182895 -3.41691013 0.77248575
-0.00029389 -0.00040226 0.00046480
-0.00718652 0.00412176 0.00154100
-8.39863835 -3.49244944 3.42965497
-0.00167435 0.00068739 -0.00034767
-0.00923893 0.00285524 -0.01500883
0.15879925 -0.60622355 7.35181449
0.00023000 -0.00066958 -0.00043303
-0.00834305 -0.00148906 -0.05110558
1.95314351 1.16214512 8.98744367
-0.00023554 0.00006086 0.00013826
-0.00978744 -0.01140235 -0.00771131
-32.27404200 0.99034172 2.42297823
-0.00057837 0.00020517 -0.00093334
-0.00748166 0.00321294 -0.00936143
-34.11776620 3.29284436 1.96773050
-0.00051502 0.00095751 -0.00091103
-0.01179648 -0.00519777 0.00084147
12.70655767 12.72515403 -15.41386906
-0.00060292 0.00007676 -0.00028100
0.02452225 0.02991207 0.02557095
15.48275663 12.79374122 -14.95966385
-0.00017523 -0.00004590 0.00145885
0.01826929 -0.00068402 0.00152112
-3.96227301 8.81504958 4.66826682
0.00010632 -0.00012963 -0.00093488
0.00128598 -0.00107453 -0.01000290
-3.58976746 6.90146576 2.33833999
-0.00077719 0.00064978 0.00093440
0.01451442 -0.00004799 -0.02494881
6.08985733 15.90394631 -10.09438902
0.00042476 -0.00107894 -0.00017265
-0.00758997 0.00633323 0.00354486
7.59465371 16.91441984 -7.93190621
0.00030250 0.00021919 0.00049034
0.00298831 0.00454043 0.00565234
7.82065827 7.18204211 -22.66340013
-0.00073240 0.00018715 -0.00002726
-0.00993586 0.00535120 0.02581368
7.88837317 7.91121698 -19.69252869
-0.00053951 0.00115260 -0.00036780
0.00243893 0.00135720 -0.01288790
21.72527662 17.82704211 -2.44696930
-0.00033303 -0.00037674 -0.00039455
-0.01097716 0.00199950 0.00111667
24.56994841 17.91062917 -3.35665911
-0.00048288 -0.00062181 0.00015479
-0.01715114 -0.00345292 0.00845094
1.23179684 11.21382995 -21.43419084
-0.00035461 -0.00001424 0.00046673
-0.00560271 -0.03114168 -0.00076664
0.63308745 13.87013433 -22.28666543
-0.00005819 -0.00078124 0.00004468
0.00271881 0.01141256 -0.00002844
9.79039234 -5.27545351 -1.64216357
0.00057152 0.00174673 -0.00028964
0.00598603 0.00061335 0.00009409
9.31470003 -2.62215999 -2.75405489
0.00139825 -0.00076759 -0.00146904
-0.01039060 0.00668024 -0.00467777
-18.83568582 -4.09429595 5.27811579
0.00073690 0.00001426 -0.00004350
-0.00414536 -0.01668536 -0.00119346
-17.10558295 -3.04840110 3.13264333
-0.00030411 -0.00043438 -0.00019758
-0.00399239 -0.01085131 -0.01789684
-15.42196093 0.25707634 16.78400497
0.00009831 0.00048582 0.00000285
-0.00066660 0.00059430 -0.01445430
-13.78125507 1.03368819 18.92956332
0.00030232 -0.00012504 -0.00000782
0.01132736 0.01313019 0.00677829
3.11081874 3.78810921 -4.32847223
-0.00012170 0.00102248 0.00054621
0.00467531 -0.00114226 -0.00420312
3.26395490 1.08194647 -3.11987116
-0.00031255 -0.00031442 0.00016276
0.01631892 -0.00881649 -0.01108866
22.99077146 -9.51434597 -10.32492334
0.00072272 -0.00093952 -0.00034423
0.00205961 -0.02002100 -0.00592280
24.94647418 -7.88232920 -8.57301868
0.00016784 -0.00027505 0.00001884
-0.02035976 -0.00371275 -0.01935635
2.42187521 -8.98460750 5.52524656
0.00020223 -0.00075668 0.00113726
-0.01409258 0.01494285 0.00517381
2.55163870 -8.12831236 8.23113520
-0.00036983 -0.00107242 0.00111674
-0.01486952 0.01174962 -0.01243255
-3.69495530 -2.89816137 -17.69889067
0.00106382 -0.00034880 -0.00062866
-0.00375209 0.02430603 -0.00297330
-5.02789002 -0.34317273 -16.99463527
-0.00026891 -0.00007806 -0.00033171
0.00806864 -0.00826302 -0.00241322
2.08744625 4.71234786 -12.03446942
-0.00122042 0.00027900 -0.00001527
0.00051818 0.00588742 0.00013582
2.02022058 3.88459488 -9.25898120
-0.00107295 0.00108648 0.00001647
-0.00529378 0.00088452 0.00042374
-1.03723583 16.39292758 13.18006895
0.00022728 -0.00004660 -0.00019409
0.02371422 -0.01755599 0.00609696
-2.51645984 17.17524475 15.80750658
-0.00001475 0.00002416 0.00004159
0.00552006 -0.01117408 -0.03826194
-1.73018750 1.15015733 -5.58901454
-0.00062828 0.00041739 -0.00016801
-0.00372398 -0.00434434 0.00339147
-2.85576414 0.81008919 -8.44670291
-0.00020107 -0.00026034 0.00054167
0.00630097 0.02418267 0.03216295
-8.23167059 -3.15928634 -4.88269374
-0.00041929 -0.00061297 0.00076268
0.02849891 0.03301685 0.01189825
-7.34160104 -0.36957704 -3.95202339
0.00009721 0.00051807 0.00042950
-0.00335281 -0.00681283 -0.00486945
1.35933398 28.30931333 5.68382482
-0.00065070 -0.00039076 -0.00010927
-0.02250299 0.00204818 0.03512546
-1.49570223 28.41783021 6.63262269
-0.00000526 -0.00044117 -0.00027936
0.05211844 -0.00787806 0.01380846
8.36708816 -9.14703727 -2.20337861
0.00028815 -0.00046820 0.00056642
-0.00229339 -0.00581701 0.00785357
10.12013803 -10.01109477 0.11838776
0.00012738 0.00002234 0.00053722
-0.00193554 0.00384338 0.00245147
-6.01997810 0.29396669 9.19565390
-0.00058187 0.00065283 -0.00037863
0.03477303 -0.00240221 0.02165305
-8.46916264 -0.21646561 8.25975467
-0.00012177 0.00022691 -0.00020993
0.00346345 0.00183632 -0.01808689
19.68953207 11.22509536 7.97176229
-0.00081409 0.00022435 0.00043322
-0.00966314 0.01527983 -0.02871864
19.49223106 13.26028771 5.63613409
0.00005156 0.00056683 0.00089990
-0.00340372 -0.02547929 0.01774313
-2.70211802 -2.36227608 -22.22787631
0.00093879 0.00046057 -0.00055984
-0.03155532 -0.03306064 -0.02831876
-4.84390161 -3.51361610 -24.24972115
-0.00063107 -0.00057872 -0.00048032
-0.00563432 0.01889924 -0.00147027
-12.48520125 9.17584469 9.56344486
0.00006588 -0.00006544 0.00041968
0.00118060 0.00049815 -0.00546123
-13.13693177 8.71593055 6.67645425
0.00039116 0.00024390 0.00021047
0.00900733 0.01081238 -0.00071578
-12.65834159 7.34101227 -4.55813361
-0.00066026 -0.00028873 -0.00078595
-0.00467057 0.00369566 0.00555268
-11.53026340 9.17234903 -2.49249679
-0.00075489 -0.00096322 0.00006159
-0.01105500 -0.01404706 -0.00367270
-4.76504678 -17.31909449 19.96103134
-0.00013694 0.00004013 -0.00075784
-0.04709534 -0.02645054 -0.01173276
-2.01591357 -16.96656148 19.50313378
-0.00012335 0.00063180 -0.00094498
0.00573035 0.00279301 -0.00016711
-3.62505325 5.40646400 -6.98645568
0.00029634 -0.00041895 -0.00038149
0.00609968 0.00009211 0.00073507
-3.72667571 8.45910670 -6.78518579
-0.00098814 0.00102744 0.00138058
-0.00427192 -0.01105321 -0.00182760
-21.17579032 28.18448757 0.32568690
0.00030616 -0.00026286 0.00109354
0.00177231 -0.00235244 0.00186040
-18.86977010 29.47349447 1.55091855
-0.00091526 0.00043203 -0.00126429
0.00616977 0.00072503 -0.00793933
8.53349746 2.50533627 6.17130385
-0.00093899 0.00054049 0.00077440
0.02829712 0.01851976 0.02937573
9.20070960 4.85263155 7.99366076
-0.00028788 0.00067796 0.00063534
0.00509678 -0.01510268 -0.00186303
7.11119441 15.25640802 -14.49103459
0.00013938 0.00138582 0.00166219
0.02137017 0.02092252 -0.03647031
6.63236547 12.75527768 -13.15849828
0.00143400 -0.00102847 0.00014297
0.00267320 0.00340090 -0.00170284
13.23029024 5.26698745 -3.48949190
-0.00029562 -0.00020774 0.00034935
0.00808029 -0.02920658 0.02273204
13.34973436 3.27337649 -1.13132759
-0.00032532 -0.00108896 -0.00149350
0.00116133 0.01415028 -0.01699977
-5.20716469 9.52003456 -0.07430783
0.00032295 0.00064202 -0.00098977
-0.01302777 0.02317942 -0.00890548
-7.99163485 10.31203081 -0.25899424
0.00027004 -0.00112802 -0.00083647
0.01857535 0.01347678 0.00543154
4.62799077 12.92136364 2.21131810
0.00034351 0.00092843 0.00019381
0.00050181 0.00008216 -0.00641298
7.51271796 12.14649724 2.57458158
0.00163992 -0.00033431 -0.00013783
-0.00515269 -0.00011278 0.00293752
20.87663755 -12.90961363 -10.26115861
0.00120938 -0.00002094 -0.00000999
0.01387686 0.00522827 -0.02788856
22.27701192 -13.71478726 -12.86799764
0.00090115 0.00011077 0.00002788
-0.00050201 0.02540278 0.01804057
17.98035134 -5.98212840 2.11190594
0.00016709 0.00011530 -0.00123164
0.00074871 -0.00055591 -0.01650815
16.27615632 -8.09437611 3.15804095
0.00081095 0.00076523 -0.00072840
-0.00142129 0.00473880 -0.00295839
14.23769602 8.17922362 10.89497441
0.00086775 -0.00050113 -0.00056461
0.00004883 0.00314756 -0.00859021
16.60995666 6.58812528 10.93118304
0.00032839 -0.00021156 -0.00038944
0.00715571 -0.00146059 0.00692569
2.05963083 -13.24067323 14.95941192
-0.00165929 -0.00097673 0.00040735
-0.00165047 0.00392083 -0.00064301
3.59114512 -12.30786159 17.30720717
0.00018005 -0.00006103 0.00095448
0.00088057 0.00335823 -0.00369954
-3.48617876 -2.69600882 -10.05079629
-0.00001574 -0.00047575 0.00073407
0.00472653 -0.00811302 0.00553067
-1.88396106 -0.64068553 -11.67017523
-0.00050616 -0.00116901 -0.00003597
-0.02042379 -0.01202903 0.01027396
15.09274260 -7.65148066 -11.32494173
0.00052753 -0.00015492 -0.00142953
-0.00703230 -0.00657949 -0.00451698
16.96695107 -6.96770884 -9.10115824
0.00041038 -0.00002076 -0.00091508
-0.01416194 -0.00997267 0.00120742
7.50236924 -2.92105725 5.60540609
0.00109156 -0.00078874 0.00012093
-0.02402264 0.00368128 0.00438381
10.16450303 -3.60309013 4.83512221
0.00072571 -0.00133751 0.00048393
-0.01124105 0.00111256 0.02747811
-21.27978325 1.12654940 22.77484164
0.00107554 -0.00065266 -0.00023373
0.00061821 -0.00250142 -0.01455961
-22.94262175 0.68063470 25.12485570
-0.00077040 0.00017099 -0.00049667
-0.01838087 -0.01180646 0.00607500
25.63806212 -2.66145164 -7.94723775
0.00024090 0.00067705 -0.00055715
-0.00249744 0.00360667 0.01684498
23.66122460 -0.60433565 -7.19231709
-0.00007115 -0.00024712 -0.00058474
0.00109609 -0.00226897 -0.00095309
11.29473577 -13.03108746 -8.63559992
-0.00044530 -0.00024476 -0.00008598
-0.00185134 0.02318287 -0.01180822
12.68699583 -10.30327386 -9.41558292
0.00056335 -0.00010939 -0.00019040
-0.01043374 -0.02947325 -0.00879529
-5.53548337 -10.39156066 18.24501586
-0.00058518 0.00018079 -0.00097268
-0.00001485 -0.00300898 0.01339854
-6.24517358 -9.90395801 15.42223783
-0.00037662 -0.00016129 -0.00004249
0.03487982 -0.00547038 0.01775666
9.15359793 1.20167709 -31.78636180
0.00040981 0.00046493 0.00015583
-0.01470143 0.00254994 0.00657490
6.57459471 2.64546558 -31.51221794
0.00027003 0.00040777 -0.00120316
-0.01043577 -0.00073050 -0.01331718
11.39560363 18.08009412 13.26209235
0.00010356 -0.00033258 -0.00110017
0.00305491 -0.00001367 -0.00561323
11.86767087 15.57058995 14.64766238
-0.00014775 -0.00066184 -0.00015502
0.02066623 -0.02005754 -0.00732399
30.80013551 5.46400514 -7.91267140
0.00058562 -0.00003654 0.00039927
0.00423312 -0.00820287 -0.00566740
28.79812908 7.49652152 -7.38804354
-0.00159400 -0.00057082 -0.00028025
0.02394734 0.00461850 -0.00202873
-8.41735702 4.84918473 5.64483794
0.00003765 -0.00009011 0.00002223
0.00783673 0.00632926 0.00390291
-10.73945626 10.14460367 3.39463444
0.00003908 -0.00001512 -0.00011119
-0.00351796 -0.00674767 0.00531522
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08329442
0.33395882
444.98338388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3155259214 (a.u.)
total exchange computation time: 2.7976112366 s
-153.9445105892
-931.41519834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3156898792 (a.u.)
total exchange computation time: 2.7926909924 s
-153.9436339153
Anderson extrapolation: theta=1.3662724006 (1.3662724006)
-931.41541480
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3158299550 (a.u.)
total exchange computation time: 2.7922639847 s
-153.9429439865
Anderson extrapolation: theta=0.0555841338 (0.0555841338)
-931.41554595
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3157657227 (a.u.)
total exchange computation time: 2.7943830490 s
-153.9433929852
Anderson extrapolation: theta=2.0389468227 (2.0000000000)
-931.41555132
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3156074125 (a.u.)
total exchange computation time: 2.7934441566 s
-153.9444428518
Anderson extrapolation: theta=0.2500163995 (0.2500163995)
-931.41555747
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3155554951 (a.u.)
total exchange computation time: 2.7934081554 s
-153.9447349811
Anderson extrapolation: theta=1.7112883658 (1.7112883658)
-931.41555876
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3154790613 (a.u.)
total exchange computation time: 2.7925949097 s
-153.9451001317
Anderson extrapolation: theta=0.3153499812 (0.3153499812)
-931.41556023
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3154693636 (a.u.)
total exchange computation time: 2.7936501503 s
-153.9450801632
Anderson extrapolation: theta=1.2181042541 (1.2181042541)
-931.41556061
-211.734862 121.391490 -36.323879
566.405647 1066.407206 -418.615358
354.670786 1187.798697 -454.939238
1320.464623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1422823148
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3154693261 (a.u.)
total exchange computation time: 2.7743859291 s
678.05973012
-1081.96526530
89.76673388
-390.29759510
-174.66369517
77.27413196
551.60419304
0.00000000
-931.41556089
5.51145647 -31.25776554 -3.77606731
-0.00025755 -0.00021371 0.00001528
-0.01787530 -0.02458706 0.02748878
-11.86217117 -0.99495029 -11.82711361
-0.00008229 0.00018404 -0.00005886
0.01046887 -0.00055593 0.00357525
-37.89189697 2.32163612 3.31015141
0.00018604 0.00008253 -0.00023404
-0.02646487 0.04591875 -0.02581205
-9.82937354 -2.74025571 2.48610528
-0.00039243 0.00011549 0.00005726
0.01637215 0.00370086 0.02612244
0.79911063 -0.27567742 8.93567819
0.00031329 -0.00016164 0.00000478
0.01430392 0.00793736 0.05191022
-32.40875895 2.73992138 1.79670012
0.00008578 -0.00014858 0.00003081
0.01463432 -0.00057892 0.00576056
14.03802006 13.76185392 -14.43286104
0.00030891 0.00027155 -0.00032470
-0.04805801 -0.02557272 -0.02668546
-4.15124400 7.07251180 4.01169642
-0.00045330 -0.00014486 -0.00026128
-0.01740811 -0.00238404 0.05267877
5.82714551 16.70624396 -8.41096428
0.00017516 -0.00000855 0.00031698
0.00664219 -0.01408790 -0.01119538
6.78193183 7.26092605 -21.02206112
-0.00012526 0.00020137 0.00006958
0.00552651 -0.01219643 -0.01364167
23.37187561 17.11157259 -2.17112784
-0.00017072 -0.00000057 0.00025820
0.03379636 -0.00482315 -0.00972653
1.40417505 12.92313545 -20.93095727
0.00010241 0.00017430 0.00025975
0.00094584 0.01108493 -0.00132933
10.42686430 -3.55083834 -1.67139713
0.00001828 -0.00001795 0.00006041
0.00545907 -0.00466550 -0.00600625
-17.84455804 -2.69295283 4.72481797
0.00016030 -0.00003943 0.00019533
0.00271818 0.02445442 0.00892392
-15.28529562 0.12640689 18.57581708
0.00001333 -0.00010677 -0.00014173
0.00419562 -0.01730892 0.00785405
2.70208787 2.77140150 -2.89148915
-0.00036574 0.00012377 0.00015577
-0.02848273 0.01703820 0.01730871
23.42974240 -7.89098625 -9.67431359
0.00009005 -0.00009782 -0.00018369
0.02643766 0.02250669 0.01910719
1.47612822 -7.90449959 6.71538189
0.00021835 0.00019944 0.00001088
0.02978089 -0.01564162 0.00873900
-3.67482577 -1.05406026 -18.07656617
0.00031545 0.00040573 0.00033979
0.00517666 -0.02366765 0.00390329
3.16708393 4.26745748 -10.61165600
-0.00013296 -0.00007789 0.00032317
-0.00387311 -0.00540398 -0.00351782
-2.62143885 16.82396692 13.95213380
-0.00001280 0.00000930 0.00020795
-0.03315354 0.02752324 0.03057866
-2.27269713 2.10850455 -7.02331583
0.00001270 0.00007163 0.00008740
-0.00683140 -0.02096664 -0.03707562
-6.72554271 -2.02508848 -4.47623718
-0.00018674 -0.00003079 -0.00019360
-0.03005985 -0.02384398 -0.00615162
0.37808961 28.27311024 7.35217765
0.00003896 0.00016367 0.00010668
-0.03639409 0.00261406 -0.05830406
10.07297211 -9.13676589 -1.49645122
0.00014233 0.00000733 -0.00026398
0.01160216 -0.00095937 -0.00709096
-6.85477327 0.46637838 7.62512732
-0.00013072 0.00026468 0.00030238
-0.04485285 0.00309238 -0.00918243
18.74760699 11.68727564 6.36477609
0.00034926 -0.00018043 0.00017801
0.01344079 0.00723282 0.01233081
-3.33168575 -3.85791124 -23.27312695
-0.00011654 0.00036403 0.00012971
0.02716192 0.02066422 0.02918389
-13.63281780 8.33297220 8.39181400
-0.00002648 0.00007572 0.00029489
-0.00787155 -0.00905280 0.00567279
-12.16981726 7.42778241 -2.74978097
-0.00025034 -0.00009650 -0.00033246
0.00851222 0.00881108 -0.00714354
-3.41247055 -16.35132686 20.49300406
-0.00040383 -0.00023094 0.00023234
0.04430705 0.02471022 0.01438256
-3.41037458 6.98750424 -7.88330563
-0.00045507 0.00012906 0.00003076
-0.00262625 0.02751925 0.00131290
-20.67974892 29.62191970 1.32770369
0.00010051 0.00024081 -0.00005384
-0.01156949 0.00712597 0.00720942
9.86419619 3.14530076 7.47749453
0.00019815 -0.00033922 -0.00020311
-0.04059511 0.01488437 -0.02583746
6.38839998 14.57057667 -13.04579536
0.00002908 0.00037975 0.00032588
-0.01996676 -0.04275018 0.04417289
14.12958735 3.74995400 -2.78096488
-0.00002326 -0.00021212 0.00033546
-0.00569510 0.01122748 -0.01274317
-6.27053477 11.03931267 -0.38893621
0.00015322 -0.00023585 0.00021904
-0.00435194 -0.02917045 -0.00078848
6.17426415 13.25604933 3.13456973
0.00001343 0.00034819 -0.00003623
0.01555936 -0.00030409 0.00877356
21.89252433 -12.19288269 -11.71503920
-0.00014483 0.00013429 -0.00020114
-0.01635461 -0.03541587 0.01076770
16.73640071 -6.33443995 3.38051190
0.00005587 -0.00000924 0.00020037
0.00786893 0.00660250 0.00387960
15.32414642 7.16293455 9.78949751
0.00005168 -0.00017916 -0.00028060
-0.00412483 -0.00567416 -0.00695485
3.01861421 -13.77863999 16.39211239
-0.00011462 0.00026786 -0.00042356
0.00974505 -0.01147114 0.00434867
-3.57361006 -1.03720278 -10.82104279
0.00001615 -0.00028569 -0.00024685
0.01646142 0.02208753 -0.00739038
15.35471811 -7.88504091 -9.51468756
-0.00003195 0.00013602 0.00021989
0.00918783 0.01610334 -0.00564908
9.01618400 -3.54707490 6.38411439
0.00039591 -0.00037717 -0.00010016
0.03983522 -0.00987814 -0.02394806
-21.53483329 1.58779861 24.48470639
-0.00024556 -0.00002194 -0.00007961
0.01911856 0.01647938 0.00606871
24.90716567 -1.73729147 -6.48873333
0.00001200 -0.00005074 0.00000113
0.00154564 -0.00342782 -0.01993394
11.76588573 -11.84989053 -10.01611386
0.00030739 -0.00005460 -0.00005568
0.01116655 0.00425773 0.01737299
-4.77979536 -10.32142679 16.58880983
0.00027965 -0.00024929 -0.00001032
-0.02944532 0.00064555 -0.03059034
8.18199837 2.39808624 -30.73252573
0.00019689 0.00026299 -0.00054267
0.01134138 -0.00690239 0.00843704
10.92407132 17.06226753 14.69627809
0.00014410 -0.00035888 -0.00015573
-0.01892233 0.03003528 0.00562437
30.67054256 7.27375419 -7.57474584
0.00012895 -0.00004483 0.00029245
-0.03583636 0.00400717 0.01301245
5.78178463 -30.17207014 -5.16271145
-0.00021032 0.00020324 -0.00008494
-0.00509652 0.02160721 -0.02295164
3.91049907 -30.85776721 -2.92181000
-0.00027854 0.00048968 0.00072510
0.01549338 0.00815064 -0.00859216
-12.53392588 -1.77239478 -13.39961542
-0.00039160 0.00029676 0.00040186
-0.00112295 -0.01546617 0.00310837
-11.65116328 0.70045204 -12.46875445
-0.00017006 -0.00025726 0.00089295
-0.00053370 0.01344790 -0.00558207
-38.14507220 4.00381411 2.32924437
-0.00018263 0.00053819 0.00071836
0.02126185 -0.02848291 0.02026154
-39.70082875 1.92704080 3.31553064
0.00019059 0.00046066 0.00004690
0.00589177 -0.01595934 0.00756650
-9.78645748 -3.42281779 0.77950491
-0.00032319 -0.00038575 0.00046878
-0.00715714 0.00396171 0.00040942
-8.42403673 -3.48205117 3.42398007
-0.00169634 0.00069169 -0.00039829
-0.00152603 -0.00074839 -0.00977097
0.16199356 -0.61631285 7.34375307
0.00020095 -0.00067292 -0.00062994
-0.00587518 -0.00014458 -0.04528488
1.94931043 1.16270864 8.98928120
-0.00027369 0.00001622 0.00010615
-0.00888354 -0.01045077 -0.00800435
-32.28294685 0.99351778 2.40869125
-0.00060948 0.00021025 -0.00096742
-0.00774426 -0.00072552 -0.00732045
-34.12585302 3.30704774 1.95409080
-0.00054970 0.00093086 -0.00090815
-0.00517589 -0.00784792 0.00057081
12.69826530 12.72722201 -15.41730044
-0.00049663 0.00020144 -0.00017434
0.02750664 0.03111849 0.02663668
15.48068796 12.79303170 -14.93773449
-0.00009300 -0.00005544 0.00145999
0.02198388 -0.00398574 -0.00096213
-3.96063880 8.81307215 4.65393711
0.00011073 -0.00013299 -0.00097263
0.00087108 -0.00057071 -0.00847609
-3.60098053 6.91121103 2.35159155
-0.00071075 0.00064564 0.00080858
0.01800927 -0.00197933 -0.03664502
6.09599611 15.88795632 -10.09687021
0.00039299 -0.00104794 -0.00014886
-0.00796268 0.00883800 0.00810337
7.59928275 16.91784677 -7.92437787
0.00031183 0.00023694 0.00051187
0.00158036 0.00414942 0.00488709
7.80936777 7.18501333 -22.66301802
-0.00077102 0.00020884 0.00007676
-0.00896997 0.00526891 0.02510505
7.88035531 7.92854760 -19.69844065
-0.00052743 0.00115878 -0.00041823
0.00347264 0.00166622 -0.01179453
21.71994481 17.82145232 -2.45285331
-0.00037628 -0.00036951 -0.00038935
-0.01019312 0.00153752 0.00142779
24.56217961 17.90119617 -3.35407826
-0.00054871 -0.00063330 0.00018555
-0.01507037 -0.00216941 0.00660638
1.22630594 11.21266212 -21.42721341
-0.00037640 -0.00013803 0.00046578
-0.00505980 -0.02945497 0.00030192
0.63229789 13.85876537 -22.28599606
-0.00004892 -0.00073134 0.00004200
0.00181921 0.01301664 -0.00128325
9.79914858 -5.24923384 -1.64650523
0.00058618 0.00172157 -0.00028832
0.00118950 -0.01292806 0.00055182
9.33535535 -2.63346907 -2.77623391
0.00135389 -0.00073711 -0.00149072
-0.01132177 0.00823889 -0.00593179
-18.82475928 -4.09459332 5.27742671
0.00071564 -0.00005904 -0.00004524
-0.00626436 -0.01919765 0.00034364
-17.11026701 -3.05524936 3.12913124
-0.00032154 -0.00047675 -0.00026629
-0.00453940 -0.00988975 -0.01573943
-15.42050674 0.26438178 16.78360476
0.00009496 0.00048833 -0.00005770
-0.00097122 0.00063701 -0.01518321
-13.77637311 1.03221501 18.92965374
0.00034417 -0.00007425 0.00001939
0.00915405 0.01173024 0.00654180
3.10913644 3.80341144 -4.32040782
-0.00010308 0.00101412 0.00053196
0.00444180 -0.00294964 -0.00277246
3.25976672 1.07695993 -3.11776963
-0.00024783 -0.00034239 0.00011702
0.01536176 -0.00487468 -0.01130092
23.00167531 -9.52905228 -10.33026827
0.00073263 -0.00101125 -0.00036501
0.00279113 -0.01508944 -0.00425179
24.94836789 -7.88656868 -8.57332928
0.00008360 -0.00028910 -0.00006082
-0.02087555 -0.00316760 -0.01963763
2.42447678 -8.99549977 5.54246406
0.00014590 -0.00069666 0.00115514
-0.01347766 0.01443836 0.00357579
2.54563554 -8.14403866 8.24750535
-0.00043555 -0.00102175 0.00105893
-0.01729651 0.01305300 -0.01586627
-3.67911301 -2.90264863 -17.70841165
0.00104705 -0.00024256 -0.00064091
-0.00445552 0.02769970 -0.00302523
-5.03167640 -0.34459681 -16.99968493
-0.00023683 -0.00011208 -0.00033983
0.00763333 -0.00839205 -0.00155886
2.06915587 4.71671323 -12.03469430
-0.00120841 0.00029958 -0.00000582
0.00535819 0.00419018 0.00448783
2.00396407 3.90091914 -9.25872110
-0.00109194 0.00108944 0.00001862
-0.00400251 0.00056375 0.00062434
-1.03310000 16.39169060 13.17734444
0.00031882 -0.00011694 -0.00016629
0.02109820 -0.01687669 0.00751353
-2.51651188 17.17526478 15.80695792
0.00000809 -0.00002106 -0.00011196
0.00565948 -0.01096190 -0.03689915
-1.73972575 1.15628506 -5.59143069
-0.00064017 0.00039495 -0.00014583
-0.00209703 -0.00664115 0.00746539
-2.85858706 0.80692514 -8.43759231
-0.00017514 -0.00016072 0.00067127
0.00638998 0.02458063 0.03127590
-8.23708668 -3.16746916 -4.87088896
-0.00030136 -0.00047550 0.00081084
0.02923129 0.03427460 0.01167865
-7.34024564 -0.36201471 -3.94573016
0.00008545 0.00048254 0.00040720
-0.00240504 -0.01058163 -0.00604419
1.34888389 28.30351471 5.68326208
-0.00073908 -0.00038200 0.00003253
-0.02075765 0.00223925 0.03428701
-1.49418408 28.41097131 6.62885539
0.00020706 -0.00047236 -0.00022086
0.05181523 -0.00739277 0.01482676
8.37134016 -9.15423846 -2.19464169
0.00027337 -0.00049099 0.00059520
-0.00494200 -0.00534044 0.00623737
10.12198949 -10.01064183 0.12652118
0.00012045 0.00004273 0.00053791
-0.00145672 0.00613787 -0.00211511
-6.02764059 0.30368551 9.19063796
-0.00043371 0.00064185 -0.00027841
0.03775342 -0.00296957 0.02740337
-8.47088301 -0.21300564 8.25605149
-0.00010920 0.00023380 -0.00028284
0.00268716 0.00153269 -0.01760318
19.67702455 11.22892888 7.97738057
-0.00085028 0.00028493 0.00031942
-0.00805050 0.01437147 -0.02698610
19.49290013 13.26800939 5.65017629
0.00003677 0.00046068 0.00097259
-0.00383332 -0.02648272 0.01783696
-2.68900318 -2.35638067 -22.23714161
0.00080791 0.00032641 -0.00067547
-0.03251158 -0.03261180 -0.02828390
-4.85354038 -3.52171774 -24.25697096
-0.00064691 -0.00050075 -0.00048145
-0.00211649 0.01926624 0.00091362
-12.48417691 9.17487829 9.56957264
0.00007050 -0.00006385 0.00039729
0.00108096 0.00028106 -0.00549616
-13.13078839 8.71992035 6.67958944
0.00042679 0.00028694 0.00021044
0.00843332 0.01025548 0.00069964
-12.66838861 7.33679452 -4.56975268
-0.00067752 -0.00027234 -0.00075777
-0.00377633 0.00432669 0.00823973
-11.54192557 9.15747023 -2.49168547
-0.00079561 -0.00100874 0.00004743
-0.00887424 -0.00823576 -0.00325896
-4.76854396 -17.31930301 19.94930417
-0.00032855 -0.00006722 -0.00080538
-0.04670148 -0.02609831 -0.01153895
-2.01758828 -16.95699887 19.48895399
-0.00010684 0.00064658 -0.00094014
0.00235097 0.00443953 0.00253480
-3.62042119 5.40018260 -6.99215553
0.00032119 -0.00041617 -0.00037910
0.00606290 0.00126857 0.00043759
-3.74162877 8.47417956 -6.76453315
-0.00100201 0.00096707 0.00136114
-0.00251553 -0.01849755 -0.00768583
-21.17114362 28.18047257 0.34214708
0.00031001 -0.00027619 0.00109816
0.00011152 -0.00417335 0.00039943
-18.88330995 29.47999717 1.53171097
-0.00087196 0.00043492 -0.00129300
0.01502682 0.00068843 -0.00611627
8.52027973 2.51401107 6.18382002
-0.00082277 0.00061358 0.00089148
0.02859285 0.01726166 0.02793648
9.19654755 4.86233810 8.00313375
-0.00026103 0.00060396 0.00062384
0.00804906 -0.02111655 -0.00376372
7.11393991 15.27783644 -14.46721933
0.00023221 0.00147561 0.00150359
0.02407141 0.02303301 -0.04116262
6.65395735 12.73995491 -13.15640596
0.00144182 -0.00099016 0.00013617
0.00115728 0.01535079 -0.00162348
13.22610353 5.26297637 -3.48355514
-0.00026238 -0.00032765 0.00044216
0.00819144 -0.02949118 0.02270054
13.34489013 3.25747573 -1.15425098
-0.00032608 -0.00103426 -0.00154832
-0.00153192 0.01262306 -0.00983706
-5.20271966 9.53037519 -0.08942726
0.00027616 0.00072740 -0.00102384
-0.00987766 0.01861316 -0.00777449
-7.98701507 10.29552347 -0.27137480
0.00034757 -0.00107166 -0.00081399
0.01937851 0.01411422 0.00556915
4.63315884 12.93529255 2.21402879
0.00034007 0.00092590 0.00016302
-0.00218820 -0.00131819 -0.00866140
7.53715891 12.14147917 2.57260414
0.00159956 -0.00032024 -0.00011896
-0.01460388 0.00699847 0.00629706
20.89520341 -12.90976751 -10.26216310
0.00126137 -0.00000172 -0.00011924
0.01157584 0.00418044 -0.02558613
22.29051377 -13.71234726 -12.86702667
0.00089768 0.00021515 0.00010116
-0.00119517 0.02569130 0.01783006
17.98288060 -5.98041595 2.09292547
0.00015831 0.00011174 -0.00128607
-0.00504652 -0.00118751 -0.01013547
16.28827703 -8.08275238 3.14702429
0.00080058 0.00077119 -0.00074041
-0.00365632 -0.00182146 -0.00292147
14.25071376 8.17180319 10.88624197
0.00086072 -0.00048196 -0.00059268
-0.00349179 0.00623175 -0.00514950
16.61510174 6.58490717 10.92555366
0.00035596 -0.00021678 -0.00036286
0.00633975 -0.00109723 0.00608501
2.03469096 -13.25520397 14.96550251
-0.00166681 -0.00095689 0.00040402
-0.00203463 0.00578751 -0.00098863
3.59387282 -12.30867407 17.32141098
0.00017945 -0.00005198 0.00093268
-0.00117436 0.00107223 -0.00697326
-3.48627010 -2.70339361 -10.03961580
0.00000291 -0.00050139 0.00075307
0.00440330 -0.00444074 0.00376999
-1.89217923 -0.65858929 -11.67039999
-0.00058371 -0.00121558 0.00000318
-0.01753936 -0.01076796 0.00889176
15.10044002 -7.65400610 -11.34652303
0.00049942 -0.00018489 -0.00142792
-0.00672552 -0.00809082 0.00530389
16.97267287 -6.96832587 -9.11484739
0.00035195 -0.00006177 -0.00090773
-0.01444032 -0.01009969 0.00238864
7.51800650 -2.93277554 5.60735440
0.00098329 -0.00076910 0.00013213
-0.02897738 0.00593079 0.00109675
10.17504415 -3.62311869 4.84322315
0.00067955 -0.00133176 0.00059390
-0.01135065 0.00170297 0.02635306
-21.26363122 1.11668281 22.77088961
0.00107632 -0.00066070 -0.00028400
-0.00023764 -0.00143157 -0.01004993
-22.95474095 0.68283778 25.11759177
-0.00084298 0.00012424 -0.00047344
-0.01715080 -0.01107669 0.00529955
25.64159910 -2.65118531 -7.95507886
0.00023078 0.00069135 -0.00048602
-0.00245799 0.00339148 0.01797322
23.66019090 -0.60811201 -7.20111738
-0.00006542 -0.00025703 -0.00058654
0.00171101 -0.00258140 0.00007003
11.28799951 -13.03404845 -8.63725141
-0.00045142 -0.00014782 -0.00013601
-0.00114433 0.02427177 -0.01268221
12.69512632 -10.30581786 -9.41870836
0.00052045 -0.00022966 -0.00022567
-0.01056660 -0.02940000 -0.00847135
-5.54426149 -10.38894097 18.23083617
-0.00058680 0.00016782 -0.00090909
-0.00077898 -0.00334302 0.01773178
-6.24975410 -9.90654500 15.42214461
-0.00022914 -0.00018429 0.00003053
0.03731327 -0.00578557 0.01798858
9.15929458 1.20872921 -31.78382288
0.00035202 0.00047212 0.00017994
-0.01358805 0.00097001 0.00522765
6.57832542 2.65155970 -31.53067348
0.00023131 0.00040406 -0.00125537
-0.00852111 -0.00108300 -0.01223680
11.39725065 18.07510504 13.24541782
0.00011318 -0.00033946 -0.00111345
0.00165305 -0.00335399 -0.00088898
11.86608792 15.56004770 14.64511272
-0.00006482 -0.00074133 -0.00018520
0.01992891 -0.01885323 -0.00745378
30.80904952 5.46320570 -7.90685602
0.00060244 -0.00007004 0.00037586
0.00400228 -0.00819383 -0.00579021
28.77495288 7.48810070 -7.39230950
-0.00147881 -0.00055353 -0.00028959
0.03243802 0.00384830 -0.00254229
-8.41677122 4.84785004 5.64518185
0.00004043 -0.00008789 0.00002360
0.00767143 0.00610488 0.00373246
-10.73887623 10.14436509 3.39297588
0.00003823 -0.00001666 -0.00010993
-0.00377396 -0.00654278 0.00552948
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08350493
0.33205596
442.44791675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3126969865 (a.u.)
total exchange computation time: 2.7129359245 s
-153.9284655285
-931.41215567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3129380742 (a.u.)
total exchange computation time: 2.7125091553 s
-153.9271724750
Anderson extrapolation: theta=1.3619974240 (1.3619974240)
-931.41237390
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3132185636 (a.u.)
total exchange computation time: 2.7133429050 s
-153.9257473290
Anderson extrapolation: theta=0.0546446617 (0.0546446617)
-931.41250580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3131909614 (a.u.)
total exchange computation time: 2.7122139931 s
-153.9260205242
Anderson extrapolation: theta=2.0290936046 (2.0000000000)
-931.41251121
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3131190302 (a.u.)
total exchange computation time: 2.7118828297 s
-153.9266631425
Anderson extrapolation: theta=0.2444885242 (0.2444885242)
-931.41251755
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3130971310 (a.u.)
total exchange computation time: 2.7119078636 s
-153.9268197836
Anderson extrapolation: theta=1.7438961592 (1.7438961592)
-931.41251893
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3130716400 (a.u.)
total exchange computation time: 2.7146878242 s
-153.9269640322
Anderson extrapolation: theta=0.3060856478 (0.3060856478)
-931.41252063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3130767609 (a.u.)
total exchange computation time: 2.7138690948 s
-153.9268858586
Anderson extrapolation: theta=1.2403741747 (1.2403741747)
-931.41252110
-211.763827 121.384264 -36.364882
566.400076 1066.400854 -418.629265
354.636249 1187.785118 -454.994147
1320.462052
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3130920989 (a.u.)
total exchange computation time: 2.7119510174 s
678.02393500
-1081.89807307
89.77492552
-390.34251678
-174.65770008
77.23608813
551.60419304
0.00000000
-931.41252152
5.50752425 -31.26106596 -3.77573202
-0.00026732 -0.00022567 0.00002914
-0.02009597 -0.02193626 0.02640383
-11.86336515 -0.99219184 -11.82798266
-0.00007697 0.00018251 -0.00005616
0.01020640 -0.00538725 0.00691674
-37.88920850 2.32305122 3.30654127
0.00017245 0.00010621 -0.00024712
-0.02637078 0.04614192 -0.02504363
-9.83519688 -2.73850915 2.48706490
-0.00038604 0.00011842 0.00006943
0.00848412 0.00771451 0.02122540
0.80386522 -0.27807135 8.93595019
0.00031961 -0.00015835 0.00002960
0.01024748 0.00485221 0.04458806
-32.40741588 2.73769042 1.79718453
0.00009163 -0.00014707 0.00003337
0.00811923 0.00646065 0.00416390
14.04246834 13.76582857 -14.43783449
0.00028289 0.00025900 -0.00033808
-0.05312583 -0.02322714 -0.02533996
-4.15811067 7.07032966 4.00798037
-0.00046295 -0.00014579 -0.00023189
-0.02010242 -0.00123323 0.06161496
5.82979852 16.70606142 -8.40625283
0.00017902 -0.00001629 0.00031037
0.00835335 -0.01601717 -0.01448475
6.78007418 7.26389956 -21.02107005
-0.00012299 0.00019500 0.00006256
0.00332441 -0.01258641 -0.01366728
23.36944524 17.11154550 -2.16729229
-0.00015424 -0.00000325 0.00025367
0.03026344 -0.00560498 -0.00791215
1.40571480 12.92579274 -20.92706618
0.00010291 0.00017897 0.00025902
0.00101211 0.00708445 -0.00150054
10.42715950 -3.55112557 -1.67051417
0.00002246 -0.00001689 0.00005737
0.01082131 0.00878851 -0.00579690
-17.84214310 -2.69345002 4.72778239
0.00016237 -0.00002664 0.00019896
0.00535119 0.02530278 0.00517010
-15.28507943 0.12473854 18.57372137
0.00001616 -0.00011524 -0.00013759
0.00680076 -0.01562803 0.00827494
2.69649197 2.77332380 -2.88908580
-0.00037999 0.00013188 0.00016425
-0.02694718 0.01450941 0.01565761
23.43119509 -7.89236666 -9.67699522
0.00010335 -0.00008773 -0.00017436
0.02527911 0.01671080 0.01717591
1.47951835 -7.90156826 6.71557881
0.00023392 0.00019132 0.00001658
0.03078156 -0.01594848 0.01342751
-3.67007404 -1.04806555 -18.07145432
0.00031844 0.00039289 0.00034158
0.00644465 -0.02627568 0.00306006
3.16507464 4.26626829 -10.60682199
-0.00013647 -0.00008022 0.00032032
-0.00980791 -0.00364657 -0.00757308
-2.62175872 16.82421261 13.95537103
-0.00002896 0.00002311 0.00022257
-0.02967824 0.02617145 0.02625334
-2.27253295 2.10949818 -7.02214780
0.00000884 0.00006139 0.00006758
-0.00817949 -0.01886535 -0.03999811
-6.72845981 -2.02564231 -4.47916488
-0.00020241 -0.00004236 -0.00019638
-0.03085153 -0.02113188 -0.00466349
0.37853366 28.27557534 7.35355293
0.00002001 0.00016484 0.00007697
-0.03731345 0.00194193 -0.05723394
10.07515178 -9.13665964 -1.50043825
0.00014892 0.00000618 -0.00026615
0.01401297 -0.00350041 -0.00135976
-6.85690705 0.47036047 7.62962765
-0.00015411 0.00026652 0.00029625
-0.04611794 0.00405698 -0.01467248
18.75289777 11.68459712 6.36749385
0.00035570 -0.00017631 0.00018375
0.01160906 0.00878805 0.00995768
-3.33332904 -3.85237115 -23.27106866
-0.00010341 0.00037428 0.00014389
0.02389104 0.01920501 0.02593946
-13.63324539 8.33407305 8.39625924
-0.00003031 0.00007123 0.00029740
-0.00700272 -0.00838866 0.00408350
-12.17353951 7.42636885 -2.75479539
-0.00024675 -0.00009378 -0.00033688
0.00543225 0.00178482 -0.01005287
-3.41835703 -16.35469567 20.49654466
-0.00038074 -0.00021898 0.00023883
0.04545774 0.02180462 0.01085205
-3.41721081 6.98954631 -7.88283923
-0.00045677 0.00014459 0.00003282
-0.00399016 0.03287852 0.00672769
-20.67828588 29.62555932 1.32692387
0.00009261 0.00024484 -0.00005018
-0.01914262 0.00856214 0.00704398
9.86701188 3.14026994 7.47434820
0.00017672 -0.00032976 -0.00021548
-0.04272924 0.02186637 -0.02225344
6.38875918 14.57610799 -13.04073683
0.00001879 0.00035474 0.00034925
-0.02006067 -0.05450612 0.04673218
14.12921646 3.74681545 -2.77598211
-0.00002534 -0.00020590 0.00032699
-0.00237918 0.01295897 -0.02020489
-6.26825318 11.03566241 -0.38565360
0.00014996 -0.00024963 0.00021825
-0.00833851 -0.02440680 -0.00228270
6.17452554 13.26127102 3.13406008
0.00002427 0.00034674 -0.00003186
0.02661638 -0.00534337 0.00823060
21.89028874 -12.19100488 -11.71801477
-0.00015250 0.00011649 -0.00019619
-0.01343958 -0.03383619 0.00850248
16.73726906 -6.33455308 3.38353235
0.00006190 -0.00000400 0.00020079
0.01559342 0.01377791 -0.00223324
15.32490574 7.16022522 9.78526170
0.00005076 -0.00018304 -0.00028480
0.00052408 -0.00938797 -0.00939898
3.01693244 -13.77466635 16.38577580
-0.00010896 0.00026211 -0.00042050
0.01226798 -0.01089273 0.00752193
-3.57330428 -1.04140299 -10.82477399
0.00002377 -0.00027569 -0.00024962
0.01315160 0.01680879 -0.00338780
15.35427436 -7.88293847 -9.51141106
-0.00002740 0.00014456 0.00021442
0.00850350 0.01708765 -0.01562467
9.02227632 -3.55277056 6.38251969
0.00041728 -0.00038287 -0.00011126
0.04328113 -0.01228762 -0.01923117
-21.53844293 1.58753308 24.48353570
-0.00023597 -0.00001401 -0.00007742
0.01817872 0.01434173 0.00243628
24.90735170 -1.73806582 -6.48879324
0.00001257 -0.00005233 -0.00000954
0.00066937 -0.00274345 -0.02158011
11.77053972 -11.85069315 -10.01688206
0.00031289 -0.00005276 -0.00004678
0.01019015 0.00290817 0.01722222
-4.77571412 -10.32516359 16.58853701
0.00026432 -0.00024890 -0.00002695
-0.03020125 0.00085831 -0.03406533
8.18499549 2.40200452 -30.74063324
0.00020172 0.00026006 -0.00053819
0.00744012 -0.00448623 0.00899401
10.92615977 17.05700021 14.69396380
0.00013506 -0.00034313 -0.00015393
-0.01620776 0.03121576 0.00139919
30.67233858 7.27309713 -7.57030889
0.00010871 -0.00004269 0.00029921
-0.04286202 0.00434835 0.01327709
5.77847359 -30.16835937 -5.16468883
-0.00023209 0.00028736 -0.00017318
-0.00555833 0.01956708 -0.02024401
3.90679571 -30.85017221 -2.91119675
-0.00020997 0.00052136 0.00068682
0.01807279 0.00735762 -0.01014589
-12.53983432 -1.76841738 -13.39349226
-0.00039652 0.00023319 0.00041194
-0.00128618 -0.01564838 0.00182547
-11.65373054 0.69700520 -12.45553130
-0.00017075 -0.00019289 0.00086550
0.00019773 0.01806233 -0.00785268
-38.14716014 4.01101415 2.34064063
-0.00009513 0.00042242 0.00079964
0.02156858 -0.02818911 0.01952717
-39.69778935 1.93346170 3.31646602
0.00021341 0.00039438 0.00007773
0.00527930 -0.01648845 0.00752571
-9.79152465 -3.42848266 0.78654915
-0.00035241 -0.00036988 0.00046820
-0.00714430 0.00380873 -0.00069094
-8.44952862 -3.47169877 3.41770634
-0.00168523 0.00068041 -0.00042625
0.00696432 -0.00477176 -0.00391870
0.16482780 -0.62641102 7.33291632
0.00018322 -0.00066999 -0.00079961
-0.00280289 0.00157493 -0.03777170
1.94493293 1.16263168 8.99062818
-0.00030751 -0.00002372 0.00007294
-0.00767124 -0.00909817 -0.00825186
-32.29232631 0.99664937 2.39395564
-0.00064158 0.00019872 -0.00099314
-0.00797270 -0.00491877 -0.00527211
-34.13425705 3.32077016 1.94048609
-0.00055748 0.00089335 -0.00090619
0.00136402 -0.01051325 0.00038510
12.69165870 12.73119713 -15.41909935
-0.00037968 0.00032979 -0.00006444
0.02974147 0.03171329 0.02716079
15.47996660 12.79207790 -14.91586410
0.00000315 -0.00007784 0.00145163
0.02508318 -0.00697501 -0.00312973
-3.95895119 8.81105975 4.63908794
0.00011344 -0.00013419 -0.00100397
0.00045458 -0.00001245 -0.00686308
-3.61108987 6.92083501 2.36259728
-0.00063087 0.00063395 0.00063765
0.02109301 -0.00374302 -0.04702234
6.10164689 15.87250799 -10.09885479
0.00035991 -0.00100716 -0.00010755
-0.00822983 0.01112405 0.01211834
7.60400865 16.92152801 -7.91655002
0.00031532 0.00025302 0.00053016
0.00012529 0.00372211 0.00406242
7.79752754 7.18830746 -22.66109732
-0.00080529 0.00023010 0.00017687
-0.00780135 0.00513719 0.02390159
7.87255027 7.94598034 -19.70507546
-0.00051113 0.00116635 -0.00046399
0.00450678 0.00203915 -0.01060572
21.71398830 17.81595675 -2.45864981
-0.00041551 -0.00036454 -0.00038267
-0.00901246 0.00089533 0.00184197
24.55348721 17.89163021 -3.35109253
-0.00060521 -0.00063912 0.00020801
-0.01258660 -0.00067853 0.00438536
1.22050495 11.20968911 -21.42021748
-0.00039576 -0.00025286 0.00046964
-0.00441637 -0.02675768 0.00158812
0.63161982 13.84819416 -22.28540534
-0.00004313 -0.00067530 0.00003443
0.00101411 0.01441272 -0.00242501
9.80797771 -5.22380648 -1.65081308
0.00058045 0.00163898 -0.00028520
-0.00399404 -0.02750123 0.00097635
9.35531680 -2.64427321 -2.79877646
0.00130675 -0.00070113 -0.00151663
-0.01175385 0.00937128 -0.00675021
-18.81421666 -4.09606723 5.27675870
0.00068646 -0.00014158 -0.00004102
-0.00801967 -0.02120412 0.00171878
-17.11522926 -3.06270372 3.12465454
-0.00034157 -0.00051490 -0.00032527
-0.00526319 -0.00878078 -0.01312781
-15.41911207 0.27172626 16.78227403
0.00009055 0.00049098 -0.00012004
-0.00118927 0.00065953 -0.01533451
-13.77093012 1.03146073 18.93014508
0.00037626 -0.00002967 0.00004536
0.00655611 0.01009096 0.00616746
3.10772636 3.81853290 -4.31251331
-0.00008551 0.00099834 0.00052373
0.00415862 -0.00477815 -0.00125882
3.25651999 1.07167464 -3.11636068
-0.00018728 -0.00035358 0.00007065
0.01427734 -0.00060278 -0.01139400
23.01275023 -9.54468338 -10.33587377
0.00074549 -0.00106202 -0.00037875
0.00350503 -0.00976463 -0.00247417
24.94898222 -7.89100228 -8.57484340
-0.00000136 -0.00030087 -0.00014057
-0.02071150 -0.00259290 -0.01940085
2.42625236 -9.00550718 5.55990071
0.00009262 -0.00063931 0.00116594
-0.01260795 0.01363166 0.00171273
2.53857234 -8.15896499 8.26290311
-0.00051016 -0.00096585 0.00098820
-0.01922802 0.01431338 -0.01875836
-3.66354379 -2.90543829 -17.71811804
0.00102745 -0.00012406 -0.00065309
-0.00513961 0.03030858 -0.00293339
-5.03499497 -0.34653520 -17.00483012
-0.00020687 -0.00014634 -0.00034428
0.00703129 -0.00837920 -0.00062015
2.05119387 4.72133541 -12.03464413
-0.00117717 0.00031338 0.00002051
0.00993565 0.00256270 0.00840031
1.98746227 3.91727795 -9.25842274
-0.00110533 0.00109113 0.00002124
-0.00255150 0.00026442 0.00065869
-1.02767113 16.38941931 13.17508040
0.00039839 -0.00018423 -0.00013225
0.01785062 -0.01606012 0.00914842
-2.51621707 17.17461299 15.80414785
0.00003149 -0.00006496 -0.00025769
0.00579401 -0.01052808 -0.03443943
-1.74939252 1.16200579 -5.59338931
-0.00064563 0.00036345 -0.00010744
-0.00057554 -0.00877966 0.01132236
-2.86101836 0.80526754 -8.42656492
-0.00014910 -0.00006018 0.00079650
0.00635752 0.02463746 0.03002584
-8.24071130 -3.17355141 -4.85836844
-0.00018198 -0.00033430 0.00085763
0.02920522 0.03484663 0.01122140
-7.33903764 -0.35510088 -3.93980736
0.00007742 0.00043225 0.00038028
-0.00152357 -0.01403493 -0.00713217
1.33716164 28.29785332 5.68480065
-0.00081922 -0.00037251 0.00016925
-0.01847167 0.00240755 0.03264097
-1.48949038 28.40365933 6.62599677
0.00041636 -0.00050145 -0.00015866
0.05063728 -0.00684711 0.01562373
8.37528929 -9.16176695 -2.18552250
0.00024784 -0.00051184 0.00061740
-0.00755675 -0.00486837 0.00462683
10.12375167 -10.00981272 0.13452497
0.00011556 0.00007215 0.00052046
-0.00094121 0.00826199 -0.00642385
-6.03298933 0.31322234 9.18730147
-0.00027502 0.00062871 -0.00015720
0.03992494 -0.00346582 0.03193412
-8.47243868 -0.20945174 8.25126948
-0.00010020 0.00023919 -0.00035330
0.00171975 0.00110976 -0.01688912
19.66402365 11.23364317 7.98134497
-0.00087938 0.00034133 0.00021401
-0.00619585 0.01323898 -0.02461440
19.49333428 13.27410805 5.66531165
0.00002075 0.00035172 0.00104490
-0.00401021 -0.02685167 0.01756349
-2.67788085 -2.35248391 -22.24814032
0.00067419 0.00019585 -0.00078960
-0.03294493 -0.03129640 -0.02758722
-4.86330886 -3.52863863 -24.26416478
-0.00064807 -0.00042150 -0.00047278
0.00154846 0.01952972 0.00333092
-12.48308633 9.17392912 9.57536358
0.00007471 -0.00006313 0.00037488
0.00097973 0.00007019 -0.00547367
-13.12412816 8.72453866 6.68276751
0.00045991 0.00032758 0.00021637
0.00778046 0.00963804 0.00220458
-12.67866707 7.33284193 -4.58086677
-0.00069120 -0.00025344 -0.00071915
-0.00292221 0.00492942 0.01066819
-11.55413162 9.14208670 -2.49107389
-0.00082694 -0.00102925 0.00003529
-0.00646565 -0.00180023 -0.00268295
-4.77490330 -17.32111099 19.93686981
-0.00051457 -0.00017040 -0.00085058
-0.04435476 -0.02441069 -0.01058288
-2.01911891 -16.94716418 19.47492955
-0.00010396 0.00066770 -0.00092429
-0.00093857 0.00589846 0.00522416
-3.61541757 5.39397896 -6.99782857
0.00034579 -0.00040813 -0.00037828
0.00597838 0.00266390 -0.00003612
-3.75673600 8.48811877 -6.74435155
-0.00100903 0.00087844 0.00131927
-0.00092156 -0.02488654 -0.01281260
-21.16649007 28.17620180 0.35863174
0.00030718 -0.00029672 0.00109712
-0.00149797 -0.00587502 -0.00091144
-18.89592887 29.48654206 1.51212855
-0.00079248 0.00043772 -0.00131459
0.02388014 0.00068384 -0.00445378
8.50881435 2.52374376 6.19804831
-0.00070643 0.00068096 0.00100171
0.02835837 0.01571860 0.02602163
9.19287879 4.87075049 8.01237609
-0.00022280 0.00050732 0.00060506
0.01066183 -0.02619028 -0.00543214
7.11816065 15.30067646 -14.44592677
0.00033398 0.00157204 0.00133035
0.02574425 0.02416737 -0.04364332
6.67562016 12.72557292 -13.15441313
0.00144345 -0.00090597 0.00012960
-0.00036322 0.02585887 -0.00159539
13.22241884 5.25715789 -3.47622715
-0.00022947 -0.00044715 0.00053392
0.00791816 -0.02900154 0.02221959
13.33995202 3.24234860 -1.17777726
-0.00033854 -0.00098669 -0.00157280
-0.00456825 0.01066404 -0.00214312
-5.19888000 9.54185654 -0.10502317
0.00024333 0.00079283 -0.00105323
-0.00619288 0.01341699 -0.00661106
-7.98120766 10.27988115 -0.28341405
0.00042726 -0.00101312 -0.00079089
0.01962749 0.01453803 0.00573958
4.63819280 12.94914068 2.21620865
0.00032583 0.00091783 0.00012326
-0.00477903 -0.00263051 -0.01080210
7.56070484 12.13689001 2.57101263
0.00152283 -0.00027905 -0.00008739
-0.02295582 0.01316691 0.00915846
20.91447870 -12.90966518 -10.26473567
0.00130323 0.00001266 -0.00021774
0.00891371 0.00285945 -0.02263040
22.30394238 -13.70833275 -12.86496297
0.00089161 0.00031993 0.00017296
-0.00177517 0.02559679 0.01731792
17.98510057 -5.97877627 2.07332384
0.00012665 0.00010581 -0.00131481
-0.01045010 -0.00171181 -0.00393065
16.30017366 -8.07124028 3.13582858
0.00078114 0.00075023 -0.00075248
-0.00585953 -0.00844244 -0.00298575
14.26351750 8.16476468 10.87719393
0.00083910 -0.00045001 -0.00060641
-0.00709164 0.00941184 -0.00156904
16.62063536 6.58162180 10.92029721
0.00037972 -0.00022030 -0.00034006
0.00529089 -0.00062460 0.00507712
2.00962640 -13.26938002 14.97153251
-0.00167558 -0.00092990 0.00039997
-0.00225527 0.00742728 -0.00099193
3.59652854 -12.30942084 17.33518743
0.00017054 -0.00005201 0.00089771
-0.00318450 -0.00109146 -0.01014441
-3.48609157 -2.71105055 -10.02820425
0.00002017 -0.00051187 0.00076470
0.00404504 -0.00068654 0.00192212
-1.90147233 -0.67715298 -11.67007981
-0.00064832 -0.00125674 0.00003607
-0.01408976 -0.00938016 0.00720685
15.10772525 -7.65702740 -11.36777928
0.00047216 -0.00022050 -0.00138803
-0.00662137 -0.00933982 0.01422417
16.97750967 -6.96956188 -9.12839015
0.00029290 -0.00010293 -0.00089557
-0.01446837 -0.01004906 0.00356551
7.53186784 -2.94413035 5.60936993
0.00085603 -0.00074082 0.00013042
-0.03331688 0.00791320 -0.00193116
10.18488963 -3.64304287 4.85293916
0.00063367 -0.00132370 0.00069822
-0.01111169 0.00224031 0.02471511
-21.24749376 1.10672847 22.76632167
0.00107326 -0.00066410 -0.00031521
-0.00125602 -0.00023288 -0.00522627
-22.96791125 0.68436201 25.11065263
-0.00090921 0.00008128 -0.00045395
-0.01526678 -0.00995302 0.00423837
25.64498545 -2.64071113 -7.96181845
0.00022114 0.00070433 -0.00041105
-0.00225965 0.00296388 0.01872838
23.65926206 -0.61204657 -7.20991338
-0.00005730 -0.00026812 -0.00058425
0.00226221 -0.00284490 0.00105014
11.28119311 -13.03552192 -8.63968013
-0.00045494 -0.00004731 -0.00018868
-0.00057846 0.02492836 -0.01310136
12.70260922 -10.31016368 -9.42235299
0.00047775 -0.00034829 -0.00025913
-0.01033397 -0.02867010 -0.00790862
-5.55308734 -10.38652617 18.21774320
-0.00059122 0.00015359 -0.00082897
-0.00138422 -0.00362251 0.02148619
-6.25204782 -9.90948657 15.42315385
-0.00007344 -0.00020814 0.00010327
0.03890514 -0.00589049 0.01761820
9.16415848 1.21584078 -31.78096357
0.00029933 0.00047235 0.00019817
-0.01220214 -0.00085838 0.00369405
6.58153390 2.65758744 -31.54987896
0.00020120 0.00039884 -0.00130262
-0.00621762 -0.00147490 -0.01089266
11.39899898 18.06991040 13.22868881
0.00011722 -0.00035955 -0.00110781
0.00032424 -0.00647983 0.00365264
11.86572633 15.54835001 14.64210625
0.00001386 -0.00081388 -0.00021582
0.01858413 -0.01665866 -0.00753239
30.81820882 5.46190408 -7.90139551
0.00061819 -0.00010284 0.00035208
0.00370751 -0.00786449 -0.00584949
28.75376467 7.47991574 -7.39673126
-0.00133183 -0.00053895 -0.00030060
0.03951222 0.00328676 -0.00284670
-8.41614424 4.84654812 5.64554580
0.00004315 -0.00008574 0.00002490
0.00752634 0.00588052 0.00355813
-10.73830935 10.14410374 3.39133658
0.00003732 -0.00001816 -0.00010862
-0.00404776 -0.00634622 0.00573895
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08333168
0.32918983
438.62894816
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3121760249 (a.u.)
total exchange computation time: 2.7939069271 s
-153.9167107362
-931.40873385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3123750427 (a.u.)
total exchange computation time: 2.7976140976 s
-153.9156363149
Anderson extrapolation: theta=1.3508876017 (1.3508876017)
-931.40895553
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3125778975 (a.u.)
total exchange computation time: 2.7946610451 s
-153.9145796321
Anderson extrapolation: theta=0.0506964461 (0.0506964461)
-931.40908752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3125297752 (a.u.)
total exchange computation time: 2.7928979397 s
-153.9149290254
Anderson extrapolation: theta=1.9283649285 (1.9283649285)
-931.40909227
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3124107987 (a.u.)
total exchange computation time: 2.7940900326 s
-153.9157369382
Anderson extrapolation: theta=0.2167013456 (0.2167013456)
-931.40909730
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.329 s
total exchange = -52.3123728579 (a.u.)
total exchange computation time: 2.7938160896 s
-153.9159469853
Anderson extrapolation: theta=1.8766836663 (1.8766836663)
-931.40909826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3123116222 (a.u.)
total exchange computation time: 2.7953000069 s
-153.9162267596
Anderson extrapolation: theta=0.2833704987 (0.2833704987)
-931.40909949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3123057551 (a.u.)
total exchange computation time: 2.7969188690 s
-153.9161922425
Anderson extrapolation: theta=1.3175972061 (1.3175972061)
-931.40909980
-211.793014 121.371477 -36.399236
566.396138 1066.393915 -418.644165
354.603124 1187.765392 -455.043401
1320.452385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3123073403 (a.u.)
total exchange computation time: 2.7935199738 s
678.01091921
-1081.88239766
89.78233673
-390.35203004
-174.65562097
77.22719245
551.60419304
0.00000000
-931.40910006
5.50343699 -31.26453561 -3.77519304
-0.00027804 -0.00023611 0.00004217
-0.02162388 -0.01867846 0.02424111
-11.86448040 -0.98947495 -11.82879834
-0.00007179 0.00017859 -0.00005181
0.00993848 -0.00985707 0.00997988
-37.88672348 2.32482229 3.30273793
0.00015898 0.00012983 -0.00025970
-0.02601691 0.04570756 -0.02388841
-9.84095477 -2.73670307 2.48818827
-0.00038385 0.00012350 0.00007895
0.00004325 0.01205103 0.01579009
0.80869887 -0.28042784 8.93656618
0.00032368 -0.00015680 0.00005034
0.00557155 0.00114577 0.03606385
-32.40601016 2.73550930 1.79770107
0.00009421 -0.00014194 0.00003508
0.00192822 0.01350407 0.00250561
14.04650678 13.76962403 -14.44300344
0.00025468 0.00024769 -0.00035072
-0.05658981 -0.02078334 -0.02381322
-4.16513242 7.06813800 4.00473966
-0.00047381 -0.00014622 -0.00019844
-0.02215431 -0.00041073 0.06848306
5.83251598 16.70575530 -8.40165312
0.00018373 -0.00002495 0.00030224
0.00998150 -0.01767254 -0.01712207
6.77824218 7.26677596 -21.02018443
-0.00012189 0.00018844 0.00005564
0.00093303 -0.01292907 -0.01321677
23.36724835 17.11147516 -2.16351778
-0.00013977 -0.00000634 0.00025013
0.02603109 -0.00641434 -0.00586407
1.40726236 12.92850467 -20.92318668
0.00010340 0.00018143 0.00025812
0.00088431 0.00245681 -0.00198540
10.42753817 -3.55134500 -1.66967593
0.00002932 -0.00000869 0.00005434
0.01586244 0.02307408 -0.00601544
-17.83968688 -2.69375201 4.73078669
0.00016572 -0.00001360 0.00020062
0.00767489 0.02538526 0.00129368
-15.28481077 0.12294961 18.57168949
0.00002038 -0.00012280 -0.00013335
0.00961546 -0.01375030 0.00821358
2.69068819 2.77535803 -2.88656166
-0.00039342 0.00013865 0.00017185
-0.02529577 0.01179330 0.01388169
23.43284281 -7.89361816 -9.67954433
0.00011589 -0.00008067 -0.00016616
0.02348062 0.01074628 0.01471519
1.48314596 -7.89875997 6.71587932
0.00024982 0.00018313 0.00002460
0.03104318 -0.01590571 0.01774768
-3.66527259 -1.04227354 -18.06631885
0.00032211 0.00037888 0.00034289
0.00782027 -0.02819612 0.00202612
3.16298969 4.26505097 -10.60204640
-0.00014298 -0.00008167 0.00031556
-0.01550235 -0.00200535 -0.01094627
-2.62230755 16.82466020 13.95881080
-0.00004320 0.00003614 0.00023464
-0.02570371 0.02448677 0.02070164
-2.27243188 2.11034627 -7.02128833
0.00000438 0.00005228 0.00004647
-0.00916546 -0.01656581 -0.04209766
-6.73161492 -2.02635918 -4.48212855
-0.00021826 -0.00005245 -0.00019836
-0.03078112 -0.01813300 -0.00305031
0.37868985 28.27805542 7.35448667
0.00000069 0.00016565 0.00004809
-0.03782571 0.00122222 -0.05507546
10.07743956 -9.13658039 -1.50443576
0.00015669 0.00000380 -0.00026549
0.01621481 -0.00578121 0.00392446
-6.85939661 0.47437385 7.63401479
-0.00017784 0.00026885 0.00028763
-0.04617481 0.00501060 -0.01883369
18.75827811 11.68198640 6.37028844
0.00036108 -0.00017148 0.00018818
0.00928288 0.00996817 0.00727897
-3.33478803 -3.84668291 -23.26881025
-0.00009211 0.00038357 0.00015623
0.02005783 0.01694667 0.02206457
-13.63372701 8.33510917 8.40073599
-0.00003367 0.00006710 0.00029907
-0.00607407 -0.00768102 0.00239484
-12.17721986 7.42496906 -2.75988736
-0.00024476 -0.00009478 -0.00034275
0.00229956 -0.00568265 -0.01279038
-3.42389282 -16.35789626 20.50016899
-0.00035757 -0.00020880 0.00024335
0.04465662 0.01777670 0.00673886
-3.42407782 6.99184202 -7.88232092
-0.00045912 0.00016253 0.00003749
-0.00512975 0.03688239 0.01142732
-20.67697052 29.62926499 1.32619838
0.00008092 0.00024956 -0.00004659
-0.02634316 0.00977344 0.00688711
9.86949793 3.13540781 7.47103019
0.00015444 -0.00031690 -0.00022594
-0.04393380 0.02816982 -0.01842011
6.38896361 14.58121880 -13.03531777
0.00000874 0.00032439 0.00037333
-0.01900309 -0.06350048 0.04690580
14.12882722 3.74377688 -2.77115520
-0.00002554 -0.00019889 0.00031471
0.00159141 0.01430955 -0.02756409
-6.26603592 11.03182386 -0.38238859
0.00014467 -0.00026076 0.00021669
-0.01222870 -0.01889136 -0.00380135
6.17499227 13.26645150 3.13361393
0.00004043 0.00034292 -0.00002769
0.03622203 -0.00950397 0.00799173
21.88794947 -12.18938811 -11.72092475
-0.00015860 0.00009967 -0.00019246
-0.01030285 -0.03156059 0.00596449
16.73825772 -6.33455992 3.38653557
0.00007173 0.00000484 0.00019818
0.02263624 0.02057965 -0.00791215
15.32566911 7.15744347 9.78095338
0.00005225 -0.00018883 -0.00029023
0.00528265 -0.01315893 -0.01171149
3.01534532 -13.77077675 16.37949725
-0.00010209 0.00025666 -0.00041596
0.01447130 -0.01027501 0.01014568
-3.57289705 -1.04547353 -10.82853132
0.00002953 -0.00026843 -0.00025027
0.00925040 0.01143120 0.00085207
15.35389621 -7.88070421 -9.50825509
-0.00002322 0.00015348 0.00020408
0.00774268 0.01763132 -0.02457306
9.02870254 -3.55856103 6.38077663
0.00044009 -0.00038970 -0.00011990
0.04540376 -0.01426320 -0.01436651
-21.54191232 1.58737819 24.48238382
-0.00022697 -0.00000730 -0.00007706
0.01680082 0.01178502 -0.00105691
24.90754290 -1.73886135 -6.48901964
0.00001267 -0.00005353 -0.00002095
-0.00028138 -0.00191978 -0.02278765
11.77527231 -11.85147333 -10.01751740
0.00031782 -0.00005167 -0.00003814
0.00898814 0.00132848 0.01640467
-4.77186587 -10.32889377 16.58800140
0.00024873 -0.00024847 -0.00004502
-0.03040132 0.00081534 -0.03619549
8.18805001 2.40588819 -30.74867135
0.00020442 0.00025844 -0.00053344
0.00305162 -0.00183771 0.00948296
10.92812319 17.05197371 14.69166031
0.00012753 -0.00032707 -0.00015423
-0.01308464 0.03121422 -0.00257955
30.67380393 7.27247362 -7.56576952
0.00008523 -0.00004049 0.00030604
-0.04847019 0.00420781 0.01326053
5.77482191 -30.16344940 -5.16790689
-0.00025595 0.00036180 -0.00024883
-0.00611956 0.01687083 -0.01678416
3.90419996 -30.84212629 -2.90120531
-0.00013202 0.00054991 0.00064283
0.02008504 0.00661722 -0.01138863
-12.54582159 -1.76539901 -13.38725722
-0.00040199 0.00016917 0.00041699
-0.00138720 -0.01569268 0.00064609
-11.65628567 0.69466533 -12.44278941
-0.00016861 -0.00011066 0.00082915
0.00085039 0.02219043 -0.00994113
-38.14792622 4.01648658 2.35323364
-0.00000686 0.00030900 0.00087723
0.02164228 -0.02732987 0.01845234
-39.69442640 1.93887209 3.31786263
0.00023358 0.00032607 0.00010828
0.00459144 -0.01694807 0.00742839
-9.79702967 -3.43391411 0.79355105
-0.00038160 -0.00035461 0.00046323
-0.00714420 0.00366631 -0.00174321
-8.47459370 -3.46163881 3.41119245
-0.00163831 0.00065206 -0.00042938
0.01600281 -0.00910919 0.00238938
0.16749026 -0.63641266 7.31976468
0.00017881 -0.00065951 -0.00093627
0.00064016 0.00355458 -0.02912196
1.94008527 1.16199712 8.99146943
-0.00033583 -0.00005739 0.00003882
-0.00619227 -0.00738249 -0.00845222
-32.30219439 0.99947951 2.37889692
-0.00067457 0.00016984 -0.00101062
-0.00817372 -0.00921839 -0.00327983
-34.14257749 3.33384826 1.92690497
-0.00053924 0.00084514 -0.00090481
0.00756656 -0.01308402 0.00029339
12.68687485 12.73711583 -15.41923369
-0.00025511 0.00045938 0.00004655
0.03123556 0.03171958 0.02717052
15.48078249 12.79069663 -14.89418551
0.00011026 -0.00011145 0.00143517
0.02734913 -0.00947898 -0.00493106
-3.95723573 8.80904658 4.62381816
0.00011445 -0.00013299 -0.00102861
0.00004335 0.00060020 -0.00520231
-3.61990651 6.93022958 2.37072119
-0.00053969 0.00061552 0.00042820
0.02353697 -0.00528094 -0.05550728
6.10679328 15.85774140 -10.10009667
0.00032596 -0.00095757 -0.00005103
-0.00838810 0.01315384 0.01554789
7.60874222 16.92543735 -7.90847320
0.00031285 0.00026730 0.00054499
-0.00133032 0.00326753 0.00319864
7.78520920 7.19191642 -22.65771178
-0.00083435 0.00025072 0.00027103
-0.00642713 0.00495672 0.02218662
7.86502143 7.96353805 -19.71236024
-0.00049066 0.00117554 -0.00050477
0.00551406 0.00246142 -0.00935940
21.70747945 17.81051606 -2.46433343
-0.00044923 -0.00036250 -0.00037410
-0.00749130 0.00010440 0.00235377
24.54402342 17.88202267 -3.34783803
-0.00065086 -0.00063850 0.00022072
-0.00976080 0.00098259 0.00183522
1.21443329 11.20507622 -21.41312422
-0.00041231 -0.00035496 0.00047907
-0.00368916 -0.02321690 0.00302714
0.63100391 13.83850624 -22.28496324
-0.00004037 -0.00061407 0.00002254
0.00033657 0.01556162 -0.00339536
9.81656206 -5.20006456 -1.65506110
0.00055323 0.00149604 -0.00028046
-0.00932954 -0.04246862 0.00134386
9.37455789 -2.65450302 -2.82173270
0.00125885 -0.00066146 -0.00154486
-0.01169369 0.01005043 -0.00707241
-18.80416553 -4.09884066 5.27619602
0.00065102 -0.00023102 -0.00003163
-0.00932807 -0.02257778 0.00287902
-17.12051408 -3.07069623 3.11937328
-0.00036479 -0.00054826 -0.00037289
-0.00610390 -0.00755047 -0.01018701
-15.41779029 0.27911117 16.78000350
0.00008542 0.00049366 -0.00018180
-0.00131946 0.00065320 -0.01489547
-13.76508534 1.03132489 18.93101440
0.00039713 0.00000788 0.00006957
0.00366057 0.00828791 0.00568379
3.10657114 3.83336152 -4.30469596
-0.00006916 0.00097515 0.00052172
0.00384427 -0.00657214 0.00027360
3.25414828 1.06635241 -3.11565003
-0.00013131 -0.00034702 0.00002413
0.01311880 0.00381604 -0.01137929
23.02403995 -9.56091290 -10.34163091
0.00076109 -0.00109072 -0.00038518
0.00413252 -0.00428316 -0.00067353
24.94832722 -7.89559479 -8.57754653
-0.00008425 -0.00031026 -0.00021832
-0.01986589 -0.00200536 -0.01865664
2.42725524 -9.01467915 5.57744233
0.00004335 -0.00058586 0.00116867
-0.01150550 0.01253472 -0.00037938
2.53033073 -8.17301411 8.27715125
-0.00059164 -0.00090495 0.00090684
-0.02065584 0.01549895 -0.02106502
-3.64828956 -2.90637044 -17.72800421
0.00100513 0.00000343 -0.00066462
-0.00578563 0.03210085 -0.00271163
-5.03788261 -0.34898713 -17.01001332
-0.00017968 -0.00018028 -0.00034476
0.00627991 -0.00823495 0.00038558
2.03384079 4.72611464 -12.03407914
-0.00112796 0.00032075 0.00006173
0.01415501 0.00104362 0.01178128
1.97080409 3.93365296 -9.25808401
-0.00111251 0.00109163 0.00002370
-0.00096056 -0.00001647 0.00054604
-1.02114827 16.38616376 13.17337703
0.00046378 -0.00024799 -0.00009127
0.01415870 -0.01515090 0.01091191
-2.51556717 17.17331598 15.79922712
0.00005544 -0.00010665 -0.00039115
0.00592986 -0.00988082 -0.03088884
-1.75909456 1.16718845 -5.59465404
-0.00064522 0.00032384 -0.00005402
0.00077274 -0.01060933 0.01482892
-2.86306004 0.80511987 -8.41369737
-0.00012355 0.00003983 0.00091574
0.00615017 0.02431550 0.02834417
-8.24254604 -3.17749805 -4.84516021
-0.00006425 -0.00019216 0.00090211
0.02842459 0.03473109 0.01055499
-7.33792301 -0.34904720 -3.93432166
0.00007280 0.00036866 0.00034916
-0.00073828 -0.01709237 -0.00810361
1.32430733 28.29233949 5.68833967
-0.00088894 -0.00036239 0.00029757
-0.01565530 0.00254571 0.03016998
-1.48169331 28.39592772 6.62409567
0.00061900 -0.00052821 -0.00009369
0.04855751 -0.00625015 0.01617603
8.37877529 -9.16959380 -2.17611975
0.00021192 -0.00053079 0.00063312
-0.01002508 -0.00440656 0.00306936
10.12545617 -10.00847727 0.14213507
0.00011284 0.00010977 0.00048620
-0.00039025 0.01015466 -0.01034801
-6.03589122 0.32254676 9.18592210
-0.00010948 0.00061372 -0.00002066
0.04110730 -0.00387180 0.03490036
-8.47388896 -0.20582983 8.24545239
-0.00009550 0.00024263 -0.00042039
0.00058242 0.00057438 -0.01595252
19.65064302 11.23916882 7.98380085
-0.00090044 0.00039265 0.00011961
-0.00411155 0.01188385 -0.02159335
19.49352265 13.27856107 5.68152341
0.00000451 0.00024258 0.00111537
-0.00393738 -0.02657474 0.01693097
-2.66877760 -2.35050520 -22.26082975
0.00053981 0.00007247 -0.00089957
-0.03283219 -0.02910003 -0.02623937
-4.87298243 -3.53436261 -24.27115446
-0.00063423 -0.00034134 -0.00045432
0.00522680 0.01970852 0.00570517
-12.48193570 9.17298425 9.58081906
0.00007849 -0.00006326 0.00035267
0.00087258 -0.00013296 -0.00539985
-13.11699111 8.72974765 6.68608069
0.00049024 0.00036560 0.00022853
0.00706427 0.00897280 0.00374336
-12.68912462 7.32919146 -4.59132704
-0.00070150 -0.00023213 -0.00067120
-0.00211799 0.00549781 0.01280130
-11.56673391 9.12659284 -2.49062673
-0.00084811 -0.00102250 0.00002581
-0.00389549 0.00510326 -0.00195874
-4.78398098 -17.32441501 19.92378688
-0.00068746 -0.00026426 -0.00089033
-0.04027868 -0.02153529 -0.00887622
-2.02070706 -16.93696799 19.46122528
-0.00011411 0.00069434 -0.00089771
-0.00402891 0.00714561 0.00778633
-3.61004755 5.38793857 -7.00350383
0.00037006 -0.00039455 -0.00037924
0.00590432 0.00398338 -0.00043481
-3.77189970 8.50053278 -6.72495519
-0.00100989 0.00076610 0.00125786
0.00050151 -0.03010437 -0.01724671
-21.16192834 28.17157098 0.37506055
0.00029793 -0.00032382 0.00109109
-0.00302659 -0.00739190 -0.00203665
-18.90708426 29.49312887 1.49227318
-0.00067773 0.00044063 -0.00132986
0.03228972 0.00073809 -0.00302042
8.49908695 2.53443979 6.21387136
-0.00059221 0.00074147 0.00110314
0.02755094 0.01390141 0.02362961
9.18986345 4.87755778 8.02128550
-0.00017460 0.00039186 0.00057995
0.01293164 -0.03033188 -0.00685750
7.12395916 15.32499760 -14.42730893
0.00044015 0.00167070 0.00115189
0.02622814 0.02412860 -0.04371167
6.69726071 12.71277573 -13.15251808
0.00143896 -0.00078205 0.00012305
-0.00183441 0.03480372 -0.00160721
13.21921943 5.24956202 -3.46753741
-0.00019848 -0.00056304 0.00062282
0.00725181 -0.02773011 0.02129584
13.33473394 3.22787502 -1.20143487
-0.00036397 -0.00094792 -0.00156508
-0.00788000 0.00831469 0.00591965
-5.19541987 9.55416017 -0.12102424
0.00022657 0.00083590 -0.00107781
-0.00200939 0.00766305 -0.00542166
-7.97419735 10.26512980 -0.29510154
0.00050683 -0.00095335 -0.00076703
0.01932164 0.01472296 0.00593865
4.64293387 12.96282760 2.21772650
0.00030151 0.00090466 0.00007515
-0.00712902 -0.00382098 -0.01274483
7.58284390 12.13310780 2.56998241
0.00141444 -0.00021468 -0.00004518
-0.03010421 0.01834121 0.01150187
20.93430029 -12.90938761 -10.26869517
0.00133357 0.00002111 -0.00030288
0.00593978 0.00127524 -0.01904849
22.31726219 -13.70274950 -12.86183792
0.00088344 0.00042350 0.00024205
-0.00222708 0.02510603 0.01650258
17.98668010 -5.97724150 2.05348131
0.00007406 0.00009805 -0.00131891
-0.01529290 -0.00208998 0.00192081
16.31171118 -8.06024558 3.12444988
0.00075292 0.00070267 -0.00076495
-0.00795513 -0.01483586 -0.00311944
14.27588662 8.15830299 10.86804973
0.00080291 -0.00040510 -0.00060549
-0.01062122 0.01257034 0.00201588
16.62649324 6.57829816 10.91535192
0.00039880 -0.00022173 -0.00032163
0.00405153 -0.00007602 0.00394167
1.98442362 -13.28310088 14.97750171
-0.00168482 -0.00089669 0.00039667
-0.00226705 0.00882665 -0.00062381
3.59898910 -12.31023450 17.34834216
0.00015361 -0.00006046 0.00085016
-0.00510400 -0.00304262 -0.01313114
-3.48566514 -2.71874956 -10.01667491
0.00003589 -0.00050713 0.00076872
0.00365467 0.00300387 0.00004850
-1.91162894 -0.69629155 -11.66931794
-0.00069770 -0.00129201 0.00006144
-0.01007860 -0.00788566 0.00521312
15.11460469 -7.66062109 -11.38816379
0.00044494 -0.00026065 -0.00131382
-0.00670066 -0.01031307 0.02210096
16.98145977 -6.97141376 -9.14171440
0.00023424 -0.00014353 -0.00087863
-0.01424366 -0.00982526 0.00472461
7.54368732 -2.95500019 5.61126710
0.00071286 -0.00070522 0.00011720
-0.03676525 0.00951608 -0.00454362
10.19405411 -3.66282976 4.86416987
0.00058952 -0.00131360 0.00079479
-0.01049973 0.00270711 0.02255421
-21.23143328 1.09675987 22.76143342
0.00106581 -0.00066245 -0.00032653
-0.00239472 0.00104188 -0.00031506
-22.98201719 0.68527626 25.10397324
-0.00096662 0.00004357 -0.00043926
-0.01283667 -0.00850956 0.00295394
25.64823330 -2.63005531 -7.96741025
0.00021265 0.00071515 -0.00033378
-0.00189800 0.00232935 0.01909626
23.65847186 -0.61615549 -7.21864503
-0.00004708 -0.00028015 -0.00057808
0.00274106 -0.00304790 0.00197095
11.27435127 -13.03546762 -8.64291179
-0.00045646 0.00005500 -0.00024213
-0.00016425 0.02515016 -0.01306278
12.70945879 -10.31626658 -9.42648230
0.00043675 -0.00046261 -0.00028981
-0.00973343 -0.02729165 -0.00710956
-5.56199803 -10.38433337 18.20596704
-0.00059761 0.00013833 -0.00073501
-0.00174467 -0.00384570 0.02451077
-6.25195720 -9.91278915 15.42524284
0.00008707 -0.00023201 0.00017334
0.03966476 -0.00579434 0.01667896
9.16827455 1.22289975 -31.77787788
0.00025280 0.00046467 0.00020982
-0.01057561 -0.00290315 0.00200893
6.58436133 2.66352480 -31.56975200
0.00018107 0.00039196 -0.00134394
-0.00363614 -0.00188985 -0.00933284
11.40076718 18.06431864 13.21218366
0.00011605 -0.00039178 -0.00108425
-0.00089450 -0.00929907 0.00787880
11.86650370 15.53563138 14.63863815
0.00008597 -0.00087568 -0.00024664
0.01671438 -0.01359632 -0.00755467
30.82759533 5.46012049 -7.89629349
0.00063262 -0.00013366 0.00032819
0.00335393 -0.00722299 -0.00584676
28.73499802 7.47193220 -7.40132749
-0.00115870 -0.00052630 -0.00031250
0.04523503 0.00290370 -0.00297799
-8.41547685 4.84527778 5.64592885
0.00004582 -0.00008368 0.00002614
0.00740604 0.00566384 0.00338014
-10.73775656 10.14382029 3.38971725
0.00003635 -0.00001961 -0.00010727
-0.00431219 -0.00616080 0.00592151
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08329751
0.32580255
434.11556947
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3128345630 (a.u.)
total exchange computation time: 2.7957520485 s
-153.9128026274
-931.40530848
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3130147892 (a.u.)
total exchange computation time: 2.7953989506 s
-153.9119486827
Anderson extrapolation: theta=1.3451791182 (1.3451791182)
-931.40553739
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3132026284 (a.u.)
total exchange computation time: 2.7974898815 s
-153.9111269892
Anderson extrapolation: theta=0.0493782825 (0.0493782825)
-931.40567308
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3131625123 (a.u.)
total exchange computation time: 2.7952289581 s
-153.9114378918
Anderson extrapolation: theta=1.8930937711 (1.8930937711)
-931.40567782
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3130641024 (a.u.)
total exchange computation time: 2.7941198349 s
-153.9121408662
Anderson extrapolation: theta=0.2137170732 (0.2137170732)
-931.40568272
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3130331212 (a.u.)
total exchange computation time: 2.7944312096 s
-153.9123144699
Anderson extrapolation: theta=1.8969414086 (1.8969414086)
-931.40568364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3129843110 (a.u.)
total exchange computation time: 2.7934730053 s
-153.9125286718
Anderson extrapolation: theta=0.2859234080 (0.2859234080)
-931.40568485
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3129815107 (a.u.)
total exchange computation time: 2.7941260338 s
-153.9124765306
Anderson extrapolation: theta=1.3112571201 (1.3112571201)
-931.40568516
-211.820921 121.351713 -36.426030
566.394204 1066.386348 -418.659296
354.573283 1187.738061 -455.085326
1320.434235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1418496485
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3129865785 (a.u.)
total exchange computation time: 2.7958669662 s
678.01947129
-1081.91495061
89.78877229
-390.32860450
-174.65738731
77.24527593
551.60419304
0.00000000
-931.40568542
5.49918291 -31.26814936 -3.77446704
-0.00028939 -0.00024477 0.00005385
-0.02249093 -0.01497567 0.02119139
-11.86551897 -0.98683410 -11.82953703
-0.00006675 0.00017252 -0.00004599
0.00969200 -0.01374539 0.01267486
-37.88443917 2.32694598 3.29875030
0.00014575 0.00015305 -0.00027159
-0.02543079 0.04460607 -0.02236795
-9.84671233 -2.73480402 2.48943345
-0.00038605 0.00013086 0.00008560
-0.00861793 0.01655659 0.01005608
0.81357550 -0.28277549 8.93746039
0.00032525 -0.00015728 0.00006654
0.00054586 -0.00300085 0.02692364
-32.40458958 2.73343236 1.79823694
0.00009375 -0.00013325 0.00003594
-0.00372281 0.02027815 0.00085644
14.05010864 13.77325916 -14.44835610
0.00022513 0.00023760 -0.00036254
-0.05829072 -0.01842012 -0.02215414
-4.17232509 7.06594317 4.00202728
-0.00048551 -0.00014631 -0.00016216
-0.02333456 0.00005649 0.07259931
5.83531043 16.70531284 -8.39718550
0.00018925 -0.00003439 0.00029293
0.01148082 -0.01904142 -0.01911392
6.77641738 7.26955262 -21.01940076
-0.00012207 0.00018171 0.00004909
-0.00161517 -0.01321580 -0.01224918
23.36525228 17.11135535 -2.15978851
-0.00012760 -0.00000985 0.00024768
0.02126454 -0.00724058 -0.00363764
1.40881675 12.93123556 -20.91932248
0.00010377 0.00018140 0.00025690
0.00056101 -0.00255854 -0.00276360
10.42803922 -3.55138642 -1.66888410
0.00003862 0.00000683 0.00005107
0.02030275 0.03731054 -0.00667407
-17.83717145 -2.69385816 4.73380097
0.00017016 -0.00000074 0.00020030
0.00956650 0.02464515 -0.00253561
-15.28446793 0.12105461 18.56972098
0.00002607 -0.00012935 -0.00012926
0.01251300 -0.01174988 0.00765917
2.68468925 2.77748325 -2.88393042
-0.00040600 0.00014400 0.00017851
-0.02361242 0.00901014 0.01205165
23.43467167 -7.89478675 -9.68197992
0.00012735 -0.00007666 -0.00015933
0.02110352 0.00484370 0.01183789
1.48701306 -7.89607439 6.71631675
0.00026568 0.00017505 0.00003473
0.03061734 -0.01550889 0.02163503
-3.66041080 -1.03669906 -18.06116776
0.00032650 0.00036407 0.00034362
0.00926598 -0.02940626 0.00084073
3.16078514 4.26381817 -10.59735525
-0.00015234 -0.00008232 0.00030924
-0.02086583 -0.00050358 -0.01362133
-2.62305468 16.82529670 13.96241027
-0.00005532 0.00004823 0.00024358
-0.02143530 0.02254771 0.01405100
-2.27240151 2.11106656 -7.02075364
-0.00000048 0.00004438 0.00002455
-0.00975002 -0.01417063 -0.04313417
-6.73500750 -2.02721593 -4.48511576
-0.00023384 -0.00006095 -0.00019950
-0.02983540 -0.01490495 -0.00137024
0.37855422 28.28054492 7.35499551
-0.00001879 0.00016609 0.00002060
-0.03789089 0.00046986 -0.05182069
10.07985243 -9.13654574 -1.50840300
0.00016551 0.00000032 -0.00026227
0.01808659 -0.00775628 0.00861800
-6.86224239 0.47842590 7.63825662
-0.00020128 0.00027166 0.00027728
-0.04494588 0.00593455 -0.02141572
18.76373006 11.67945258 6.37313918
0.00036513 -0.00016615 0.00019116
0.00649871 0.01076925 0.00430899
-3.33609228 -3.84086392 -23.26638163
-0.00008289 0.00039150 0.00016645
0.01576970 0.01386413 0.01764635
-13.63425549 8.33608604 8.40523120
-0.00003654 0.00006334 0.00029985
-0.00510285 -0.00694566 0.00066812
-12.18088246 7.42352544 -2.76507801
-0.00024438 -0.00009968 -0.00034998
-0.00079321 -0.01337171 -0.01530227
-3.42908409 -16.36095972 20.50384531
-0.00033525 -0.00020088 0.00024564
0.04215271 0.01303337 0.00214565
-3.43098440 6.99442227 -7.88171446
-0.00046200 0.00018226 0.00004440
-0.00607142 0.03982065 0.01543440
-20.67585838 29.63304606 1.32552603
0.00006573 0.00025482 -0.00004308
-0.03270502 0.01067406 0.00677046
9.87164505 3.13076301 7.46757007
0.00013177 -0.00030095 -0.00023436
-0.04420480 0.03382865 -0.01435150
6.38902145 14.58583973 -13.02953686
-0.00000046 0.00029015 0.00039690
-0.01678886 -0.06964250 0.04473246
14.12845025 3.74084870 -2.76654095
-0.00002356 -0.00019130 0.00029873
0.00611979 0.01520780 -0.03456959
-6.26391300 11.02783957 -0.37915292
0.00013742 -0.00026889 0.00021435
-0.01596880 -0.01270862 -0.00530688
6.17573844 13.27155865 3.13322943
0.00006112 0.00033718 -0.00002359
0.04422351 -0.01282171 0.00795800
21.88553071 -12.18801482 -11.72378872
-0.00016305 0.00008419 -0.00019010
-0.00700434 -0.02861454 0.00321249
16.73942101 -6.33440799 3.38947775
0.00008496 0.00001699 0.00019278
0.02882129 0.02667840 -0.01307056
15.32647323 7.15456021 9.77655471
0.00005617 -0.00019654 -0.00029679
0.00994512 -0.01682466 -0.01379165
3.01386984 -13.76696642 16.37329696
-0.00009418 0.00025153 -0.00041023
0.01628119 -0.00969393 0.01214722
-3.57241846 -1.04945587 -10.83228208
0.00003315 -0.00026391 -0.00024869
0.00482008 0.00613954 0.00528218
15.35357779 -7.87833393 -9.50528869
-0.00001946 0.00016259 0.00018942
0.00689353 0.01776413 -0.03244196
9.03547904 -3.56446152 6.37892273
0.00046359 -0.00039740 -0.00012603
0.04596291 -0.01570186 -0.00948997
-21.54525210 1.58731422 24.48122378
-0.00021878 -0.00000196 -0.00007844
0.01505845 0.00894573 -0.00428182
24.90773192 -1.73967168 -6.48942184
0.00001227 -0.00005427 -0.00003287
-0.00130215 -0.00097402 -0.02355233
11.78007425 -11.85224327 -10.01802618
0.00032208 -0.00005145 -0.00003008
0.00757875 -0.00047115 0.01494118
-4.76825216 -10.33261766 16.58718654
0.00023316 -0.00024812 -0.00006381
-0.03014662 0.00053906 -0.03690859
8.19112807 2.40975768 -30.75663631
0.00020478 0.00025822 -0.00052845
-0.00165864 0.00096830 0.00992307
10.92998567 17.04718802 14.68933691
0.00012167 -0.00031129 -0.00015649
-0.00969446 0.03014672 -0.00621225
30.67489535 7.27188257 -7.56112784
0.00005919 -0.00003847 0.00031279
-0.05277972 0.00363391 0.01299588
5.77079518 -30.15750549 -5.17215358
-0.00028221 0.00042418 -0.00030921
-0.00673709 0.01366864 -0.01277648
3.90283514 -30.83367483 -2.89191183
-0.00004703 0.00057557 0.00059443
0.02151514 0.00594032 -0.01230188
-12.55189387 -1.76334239 -13.38098259
-0.00040771 0.00010526 0.00041748
-0.00141493 -0.01559024 -0.00040417
-11.65878869 0.69368543 -12.43065677
-0.00016403 -0.00001301 0.00078477
0.00139118 0.02560711 -0.01178260
-38.14736593 4.02028407 2.36695753
0.00008124 0.00020029 0.00094975
0.02148249 -0.02588208 0.01704742
-39.69078206 1.94324379 3.31971450
0.00025082 0.00025604 0.00013833
0.00385102 -0.01733146 0.00727773
-9.80297253 -3.43912086 0.80044611
-0.00041080 -0.00033989 0.00045409
-0.00715219 0.00353748 -0.00273329
-8.49867803 -3.45213711 3.40482500
-0.00155404 0.00060567 -0.00040629
0.02524894 -0.01359425 0.00891133
0.17019196 -0.64619646 7.30482827
0.00018874 -0.00064067 -0.00103640
0.00422061 0.00566772 -0.01989340
1.93485812 1.16091012 8.99179267
-0.00035767 -0.00008342 0.00000398
-0.00450224 -0.00536291 -0.00860235
-32.31256341 1.00174469 2.36363718
-0.00070834 0.00012355 -0.00102020
-0.00835508 -0.01344293 -0.00141392
-34.15043420 3.34612449 1.91334184
-0.00049675 0.00078681 -0.00090360
0.01323245 -0.01546975 0.00029880
12.68400530 12.74497850 -15.41770284
-0.00012596 0.00058782 0.00015657
0.03198761 0.03115352 0.02668552
15.48327450 12.78873443 -14.87280913
0.00022456 -0.00015399 0.00141213
0.02859774 -0.01134345 -0.00634341
-3.95551762 8.80707019 4.60822955
0.00011381 -0.00012919 -0.00104641
-0.00035800 0.00125524 -0.00350865
-3.62728065 6.93930051 2.37544327
-0.00044036 0.00059136 0.00018954
0.02508840 -0.00654328 -0.06131579
6.11142561 15.84378096 -10.10038569
0.00029158 -0.00090025 0.00001828
-0.00843986 0.01490492 0.01837747
7.61339427 16.92954695 -7.90020034
0.00030453 0.00027968 0.00055625
-0.00274330 0.00279453 0.00231560
7.77249696 7.19582917 -22.65296651
-0.00085739 0.00027051 0.00035711
-0.00484754 0.00472811 0.01994949
7.85783053 7.98124661 -19.72021863
-0.00046619 0.00118652 -0.00054043
0.00646515 0.00291390 -0.00809574
21.70051149 17.80508176 -2.46987279
-0.00047618 -0.00036391 -0.00036327
-0.00570206 -0.00079436 0.00294919
24.53396143 17.87247536 -3.34447106
-0.00068443 -0.00063083 0.00022246
-0.00667170 0.00277117 -0.00098212
1.20813554 11.19904045 -21.40584543
-0.00042576 -0.00044126 0.00049455
-0.00289484 -0.01903117 0.00454928
0.63040861 13.82977203 -22.28472923
-0.00004006 -0.00054870 0.00000714
-0.00018299 0.01643631 -0.00414208
9.82457464 -5.17892538 -1.65922675
0.00050457 0.00129296 -0.00027437
-0.01448892 -0.05694107 0.00163277
9.39308233 -2.66411688 -2.84512239
0.00121213 -0.00061993 -0.00157335
-0.01117861 0.01027454 -0.00686995
-18.79468608 -4.10299781 5.27580979
0.00061127 -0.00032458 -0.00001801
-0.01012845 -0.02322018 0.00378655
-17.12617298 -3.07915147 3.11346771
-0.00039156 -0.00057641 -0.00040810
-0.00700039 -0.00622786 -0.00704719
-15.41654937 0.28653610 16.77682009
0.00007994 0.00049624 -0.00024060
-0.00136600 0.00061020 -0.01388658
-13.75901621 1.03169698 18.93223206
0.00040583 0.00003787 0.00009164
0.00059733 0.00639683 0.00512115
3.10565153 3.84778737 -4.29686184
-0.00005413 0.00094480 0.00052588
0.00351408 -0.00828264 0.00176656
3.25258056 1.06126405 -3.11563677
-0.00008014 -0.00032246 -0.00002214
0.01193226 0.00820763 -0.01127135
23.03558295 -9.57740493 -10.34742932
0.00077900 -0.00109711 -0.00038437
0.00463377 0.00115365 0.00107213
24.94645472 -7.90031021 -8.58139305
-0.00016236 -0.00031724 -0.00029203
-0.01836912 -0.00141140 -0.01742470
2.42755299 -9.02308291 5.59496069
-0.00000099 -0.00053743 0.00116247
-0.01020001 0.01117348 -0.00265410
2.52082321 -8.18611336 8.29010840
-0.00067793 -0.00083941 0.00081732
-0.02158410 0.01658228 -0.02275578
-3.63338990 -2.90533526 -17.73805656
0.00098028 0.00013655 -0.00067501
-0.00637686 0.03305856 -0.00237540
-5.04038538 -0.35194374 -17.01517290
-0.00015581 -0.00021340 -0.00034103
0.00540292 -0.00797318 0.00143960
2.01735522 4.73095783 -12.03279212
-0.00106236 0.00032218 0.00011558
0.01795405 -0.00034013 0.01457851
1.95408704 3.95002697 -9.25771181
-0.00111295 0.00109100 0.00002546
0.00074475 -0.00029383 0.00031891
-1.01375767 16.38197967 13.17234242
0.00051351 -0.00030791 -0.00004299
0.01018471 -0.01418015 0.01271804
-2.51455385 17.17141341 15.79241334
0.00007996 -0.00014528 -0.00050793
0.00607196 -0.00902521 -0.02627435
-1.76874924 1.17172090 -5.59500995
-0.00063979 0.00027760 0.00001257
0.00188705 -0.01202261 0.01776899
-2.86472479 0.80646241 -8.39909271
-0.00009921 0.00013768 0.00102725
0.00576097 0.02358319 0.02623840
-8.24263875 -3.17931615 -4.83130510
0.00004876 -0.00005189 0.00094350
0.02689398 0.03392926 0.00970651
-7.33685363 -0.34404105 -3.92933259
0.00007116 0.00029351 0.00031435
-0.00006706 -0.01969271 -0.00893767
1.31049357 28.28698166 5.69372768
-0.00094609 -0.00035178 0.00041408
-0.01231991 0.00264651 0.02686563
-1.47092033 28.38781307 6.62318594
0.00081122 -0.00055244 -0.00002703
0.04553247 -0.00561144 0.01645473
8.38164690 -9.17769071 -2.16652889
0.00016645 -0.00054788 0.00064268
-0.01223246 -0.00395696 0.00161044
10.12713675 -10.00651948 0.14911097
0.00011243 0.00015457 0.00043689
0.00019269 0.01177465 -0.01379172
-6.03627380 0.33163389 9.18668164
0.00005862 0.00059726 0.00012433
0.04117799 -0.00418490 0.03607252
-8.47530355 -0.20217272 8.23865764
-0.00009573 0.00024368 -0.00048323
-0.00069748 -0.00006399 -0.01480643
19.63701041 11.24542280 7.98493336
-0.00091255 0.00043800 0.00003889
-0.00181406 0.01031464 -0.01792221
19.49346971 13.28138543 5.69877280
-0.00001092 0.00013590 0.00118255
-0.00361952 -0.02564641 0.01595486
-2.66168650 -2.35030991 -22.27512729
0.00040706 -0.00004010 -0.00100271
-0.03215320 -0.02600411 -0.02425285
-4.88233568 -3.53887874 -24.27779449
-0.00060557 -0.00026059 -0.00042639
0.00880104 0.01981929 0.00796611
-12.48073159 9.17203123 9.58594360
0.00008182 -0.00006420 0.00033085
0.00075548 -0.00032701 -0.00527946
-13.10942111 8.73550655 6.68962329
0.00051754 0.00040083 0.00024692
0.00630073 0.00827311 0.00526142
-12.69971197 7.32587792 -4.60100278
-0.00070863 -0.00020859 -0.00061519
-0.00137342 0.00602568 0.01461394
-11.57957495 9.11141174 -2.49029962
-0.00085863 -0.00098704 0.00001953
-0.00125327 0.01225515 -0.00111428
-4.79552718 -17.32903885 19.91015996
-0.00084086 -0.00034443 -0.00092173
-0.03480969 -0.01770979 -0.00649507
-2.02254213 -16.92633387 19.44799820
-0.00013629 0.00072564 -0.00086103
-0.00682793 0.00817572 0.01017198
-3.60431568 5.38214231 -7.00920573
0.00039398 -0.00037549 -0.00038187
0.00580510 0.00535109 -0.00085102
-3.78703268 8.51110181 -6.70661581
-0.00100528 0.00063461 0.00117979
0.00175360 -0.03426234 -0.02097032
-21.15755209 28.16648713 0.39136453
0.00028271 -0.00035659 0.00108095
-0.00442433 -0.00864657 -0.00292685
-18.91626074 29.49976091 1.47223269
-0.00053054 0.00044392 -0.00133984
0.03975890 0.00087287 -0.00186598
8.49104804 2.54598778 6.23114259
-0.00048255 0.00079401 0.00119382
0.02612686 0.01182096 0.02075822
9.18764065 4.88250615 8.02977465
-0.00011782 0.00026129 0.00054952
0.01486732 -0.03357843 -0.00803708
7.13136509 15.35079750 -14.41137002
0.00054577 0.00176662 0.00097802
0.02547291 0.02282470 -0.04139884
6.71878884 12.70211152 -13.15072152
0.00142864 -0.00062479 0.00011641
-0.00321672 0.04217396 -0.00164571
13.21646445 5.24026667 -3.45754253
-0.00017101 -0.00067215 0.00070705
0.00619258 -0.02567975 0.01993506
13.32903292 3.21391102 -1.22472969
-0.00040324 -0.00091938 -0.00152426
-0.01134211 0.00565434 0.01406491
-5.19208289 9.56693344 -0.13735758
0.00022773 0.00085462 -0.00109761
0.00257692 0.00150264 -0.00427050
-7.96600289 10.25128077 -0.30642508
0.00058399 -0.00089334 -0.00074232
0.01845295 0.01465097 0.00615708
4.64723803 12.97628034 2.21846326
0.00026835 0.00088692 0.00001970
-0.00910007 -0.00485931 -0.01440149
7.60313799 12.13044966 2.56965710
0.00127933 -0.00013117 0.00000557
-0.03603031 0.02253571 0.01334120
20.95448590 -12.90903188 -10.27382207
0.00135123 0.00002257 -0.00037220
0.00270203 -0.00056077 -0.01488256
22.33044552 -13.69562761 -12.85770149
0.00087371 0.00052426 0.00030719
-0.00253325 0.02421246 0.01538306
17.98732238 -5.97583482 2.03375651
0.00000304 0.00008908 -0.00130010
-0.01946989 -0.00229846 0.00728679
16.32276115 -8.05016012 3.11288001
0.00071651 0.00063011 -0.00077801
-0.00986755 -0.02068181 -0.00327321
14.28760481 8.15261168 10.85902908
0.00075275 -0.00034761 -0.00059025
-0.01393407 0.01557144 0.00544876
16.63259942 6.57496985 10.91064819
0.00041255 -0.00022080 -0.00030801
0.00267704 0.00053074 0.00272870
1.95908190 -13.29628079 14.98343269
-0.00169361 -0.00085826 0.00039565
-0.00203686 0.00998666 0.00012128
3.60113685 -12.31123463 17.36069214
0.00012910 -0.00007630 0.00079092
-0.00689538 -0.00471356 -0.01586444
-3.48501473 -2.72626449 -10.00514259
0.00004997 -0.00048769 0.00076517
0.00323695 0.00651422 -0.00178897
-1.92240322 -0.71591340 -11.66823659
-0.00072962 -0.00132102 0.00007808
-0.00554583 -0.00631271 0.00293183
15.12107346 -7.66484683 -11.40719381
0.00041709 -0.00030421 -0.00120966
-0.00693246 -0.01101175 0.02888449
16.98453693 -6.97386778 -9.15474909
0.00017703 -0.00018287 -0.00085702
-0.01376420 -0.00943067 0.00585406
7.55325359 -2.96528683 5.61288581
0.00055791 -0.00066403 0.00009442
-0.03908171 0.01064433 -0.00660572
10.20257511 -3.68245074 4.87678285
0.00054867 -0.00130176 0.00088145
-0.00949319 0.00308777 0.01986558
-21.21551955 1.08685512 22.75652586
0.00105354 -0.00065555 -0.00031801
-0.00361222 0.00233568 0.00448462
-22.99690985 0.68566899 25.09747489
-0.00101320 0.00001225 -0.00043013
-0.00996653 -0.00681886 0.00151631
25.65136483 -2.61925673 -7.97183172
0.00020596 0.00072297 -0.00025579
-0.00137607 0.00150148 0.01907616
23.65784965 -0.62045119 -7.22725588
-0.00003511 -0.00029286 -0.00056830
0.00311793 -0.00316988 0.00281569
11.26749936 -13.03387196 -8.64694402
-0.00045661 0.00015733 -0.00029450
0.00008835 0.02494322 -0.01257214
12.71571183 -10.32404208 -9.43104733
0.00039897 -0.00057001 -0.00031676
-0.00876422 -0.02527774 -0.00608004
-5.57101564 -10.38237627 18.19569305
-0.00060482 0.00012227 -0.00063041
-0.00178594 -0.00401437 0.02668724
-6.24943568 -9.91644684 15.42835402
0.00024901 -0.00025509 0.00023846
0.03960284 -0.00550408 0.01520018
9.17174249 1.22978079 -31.77466906
0.00021331 0.00044828 0.00021437
-0.00875469 -0.00511965 0.00021856
6.58696592 2.66934633 -31.59019703
0.00017181 0.00038338 -0.00137855
-0.00089426 -0.00231149 -0.00761166
11.40248056 18.05815698 13.19616137
0.00011019 -0.00043477 -0.00104427
-0.00197687 -0.01174547 0.01168906
11.86830543 15.52207948 14.63470705
0.00014959 -0.00092356 -0.00027743
0.01442920 -0.00983699 -0.00751737
30.83718740 5.45789422 -7.89154979
0.00064549 -0.00016127 0.00030443
0.00294585 -0.00629156 -0.00578591
28.71900364 7.46412662 -7.40610622
-0.00096475 -0.00051492 -0.00032466
0.04970521 0.00266776 -0.00297259
-8.41476970 4.84403785 5.64633005
0.00004845 -0.00008169 0.00002732
0.00731194 0.00545872 0.00319947
-10.73721878 10.14351539 3.38811855
0.00003532 -0.00002102 -0.00010588
-0.00457843 -0.00599146 0.00607921
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08326596
0.32241946
429.60776676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3153366858 (a.u.)
total exchange computation time: 2.7587931156 s
-153.9149378916
-931.40278961
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3154455733 (a.u.)
total exchange computation time: 2.7581439018 s
-153.9146071874
Anderson extrapolation: theta=1.3522230203 (1.3522230203)
-931.40303096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3155250780 (a.u.)
total exchange computation time: 2.7594461441 s
-153.9145379059
Anderson extrapolation: theta=0.0536311763 (0.0536311763)
-931.40317672
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3154684896 (a.u.)
total exchange computation time: 2.7582490444 s
-153.9149371135
Anderson extrapolation: theta=2.0526656822 (2.0000000000)
-931.40318287
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3153269729 (a.u.)
total exchange computation time: 2.7590770721 s
-153.9158761525
Anderson extrapolation: theta=0.2699845435 (0.2699845435)
-931.40319036
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3152766686 (a.u.)
total exchange computation time: 2.7616710663 s
-153.9161571000
Anderson extrapolation: theta=1.7434948402 (1.7434948402)
-931.40319215
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3152008502 (a.u.)
total exchange computation time: 2.7579588890 s
-153.9165145563
Anderson extrapolation: theta=0.3428530958 (0.3428530958)
-931.40319441
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3151895006 (a.u.)
total exchange computation time: 2.7587461472 s
-153.9164992203
Anderson extrapolation: theta=1.1900890617 (1.1900890617)
-931.40319506
-211.847022 121.322523 -36.444515
566.394628 1066.378156 -418.673844
354.547606 1187.700679 -455.118359
1320.405100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582122093
ExchangeOperator: pair fraction: ispin=0: 0.1426717144
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3151886050 (a.u.)
total exchange computation time: 2.7599821091 s
678.04479722
-1081.98839815
89.79498249
-390.27711400
-174.66227453
77.28722412
551.60419304
0.00000000
-931.40319557
5.49475531 -31.27187865 -3.77357756
-0.00030100 -0.00025144 0.00006379
-0.02265391 -0.01098715 0.01747253
-11.86648277 -0.98429929 -11.83017794
-0.00006181 0.00016465 -0.00003889
0.00948984 -0.01685020 0.01493038
-37.88235105 2.32941379 3.29459010
0.00013287 0.00017553 -0.00028262
-0.02463942 0.04281592 -0.02049423
-9.85253637 -2.73277723 2.49075621
-0.00039266 0.00014052 0.00008930
-0.01706831 0.02101977 0.00434311
0.81845635 -0.28514630 8.93856231
0.00032421 -0.00015996 0.00007800
-0.00456805 -0.00739603 0.01766725
-32.40319771 2.73151186 1.79877941
0.00009056 -0.00012122 0.00003598
-0.00868526 0.02651348 -0.00071761
14.05326080 13.77675218 -14.45387967
0.00019520 0.00022869 -0.00037348
-0.05810761 -0.01626607 -0.02036890
-4.17969777 7.06374878 3.99987498
-0.00049755 -0.00014625 -0.00012459
-0.02347138 0.00017620 0.07347901
5.83819346 16.70472349 -8.39286534
0.00019550 -0.00004447 0.00028274
0.01282256 -0.02012606 -0.02048996
6.77458012 7.27222733 -21.01871160
-0.00012359 0.00017486 0.00004319
-0.00429240 -0.01343348 -0.01072892
23.36342026 17.11117967 -2.15608730
-0.00011798 -0.00001379 0.00024641
0.01614277 -0.00807673 -0.00129492
1.41037546 12.93394671 -20.91547961
0.00010392 0.00017875 0.00025521
0.00004164 -0.00773561 -0.00380656
10.42869690 -3.55114000 -1.66814376
0.00004997 0.00002939 0.00004736
0.02381383 0.05040389 -0.00775783
-17.83458222 -2.69377418 4.73679569
0.00017543 0.00001153 0.00019806
0.01094298 0.02305528 -0.00617445
-15.28402856 0.11906897 18.56781156
0.00003325 -0.00013487 -0.00012559
0.01538094 -0.00969297 0.00662824
2.67850815 2.77967797 -2.88120621
-0.00041772 0.00014793 0.00018425
-0.02195991 0.00627463 0.01023998
23.43666334 -7.89591797 -9.68432419
0.00013746 -0.00007562 -0.00015407
0.01821633 -0.00081037 0.00860952
1.49111636 -7.89350845 6.71692108
0.00028116 0.00016726 0.00004672
0.02956312 -0.01476811 0.02502713
-3.65547754 -1.03135144 -18.05601018
0.00033165 0.00034882 0.00034372
0.01074417 -0.02988408 -0.00046728
3.15841962 4.26258150 -10.59276919
-0.00016435 -0.00008222 0.00030172
-0.02583955 0.00086028 -0.01562128
-2.62396717 16.82610715 13.96611814
-0.00006522 0.00005928 0.00024885
-0.01704963 0.02039751 0.00643134
-2.27244636 2.11167753 -7.02055171
-0.00000552 0.00003770 0.00000241
-0.00983213 -0.01179794 -0.04297423
-6.73863025 -2.02818767 -4.48811355
-0.00024872 -0.00006774 -0.00019977
-0.02801135 -0.01148932 0.00033566
0.37812628 28.28303806 7.35510458
-0.00003816 0.00016613 -0.00000493
-0.03744851 -0.00029901 -0.04745390
10.08240483 -9.13657094 -1.51230376
0.00017518 -0.00000410 -0.00025680
0.01952347 -0.00940662 0.01262123
-6.86543492 0.48252372 7.64233325
-0.00022375 0.00027495 0.00026604
-0.04243180 0.00683131 -0.02231869
18.76923215 11.67700185 6.37602316
0.00036765 -0.00016051 0.00019254
0.00329316 0.01117071 0.00105751
-3.33727486 -3.83493797 -23.26381687
-0.00007598 0.00039761 0.00017426
0.01110756 0.00991932 0.01275795
-13.63482334 8.33700933 8.40973157
-0.00003891 0.00005996 0.00029976
-0.00410403 -0.00619285 -0.00104289
-12.18455118 7.42197865 -2.77038671
-0.00024554 -0.00010852 -0.00035842
-0.00373446 -0.02100992 -0.01753365
-3.43395017 -16.36392262 20.50753818
-0.00031456 -0.00019550 0.00024549
0.03829749 0.00788572 -0.00271779
-3.43793782 6.99730972 -7.88098893
-0.00046532 0.00020324 0.00005320
-0.00682670 0.04176803 0.01880298
-20.67499856 29.63690948 1.32490591
0.00004760 0.00026044 -0.00003962
-0.03778905 0.01118418 0.00668886
9.87345114 3.12637918 7.46399924
0.00010921 -0.00028225 -0.00024064
-0.04353837 0.03889788 -0.01004684
6.38894976 14.58992339 -13.02341084
-0.00000825 0.00025346 0.00041881
-0.01351346 -0.07303240 0.04045914
14.12812050 3.73803784 -2.76219339
-0.00001914 -0.00018339 0.00027932
0.01105859 0.01555249 -0.04090540
-6.26191328 11.02375724 -0.37595818
0.00012832 -0.00027371 0.00021125
-0.01942121 -0.00605076 -0.00673616
6.17682579 13.27656688 3.13290632
0.00008549 0.00032993 -0.00001948
0.05054371 -0.01537065 0.00801870
21.88305792 -12.18686229 -11.72662790
-0.00016578 0.00007040 -0.00018920
-0.00360819 -0.02503751 0.00031913
16.74080664 -6.33405025 3.39231910
0.00010113 0.00003202 0.00018487
0.03403601 0.03175628 -0.01769361
15.32735407 7.15154714 9.77204964
0.00006240 -0.00020607 -0.00030433
0.01430905 -0.02022503 -0.01552556
3.01251996 -13.76323087 16.36719039
-0.00008546 0.00024669 -0.00040363
0.01760984 -0.00913920 0.01350751
-3.57190267 -1.05339086 -10.83599209
0.00003437 -0.00026206 -0.00024482
-0.00007518 0.00106316 0.00978905
15.35331255 -7.87582660 -9.50257257
-0.00001616 0.00017166 0.00017098
0.00593252 0.01751472 -0.03925609
9.04261013 -3.57048316 6.37699562
0.00048692 -0.00040569 -0.00012968
0.04477904 -0.01653227 -0.00469810
-21.54847571 1.58731926 24.48003071
-0.00021155 0.00000187 -0.00008138
0.01303639 0.00595823 -0.00714451
24.90791090 -1.74048953 -6.49000574
0.00001132 -0.00005451 -0.00004506
-0.00236189 0.00006254 -0.02387050
11.78493465 -11.85301684 -10.01841969
0.00032557 -0.00005221 -0.00002293
0.00598530 -0.00248855 0.01285542
-4.76487103 -10.33633739 16.58608695
0.00021782 -0.00024797 -0.00008261
-0.02951091 0.00004462 -0.03616357
8.19419334 2.41363464 -30.76452472
0.00020267 0.00025946 -0.00052324
-0.00652677 0.00385392 0.01032469
10.93177336 17.04263490 14.68696560
0.00011759 -0.00029630 -0.00016051
-0.00617536 0.02817262 -0.00943022
30.67557959 7.27131956 -7.55638590
0.00003123 -0.00003684 0.00031935
-0.05592511 0.00268347 0.01251488
5.76635557 -30.15072388 -5.17718330
-0.00031109 0.00047265 -0.00035263
-0.00740019 0.01005545 -0.00847609
3.90278891 -30.82485931 -2.88337229
0.00004256 0.00059866 0.00054304
0.02234020 0.00536389 -0.01285620
-12.55805287 -1.76224123 -13.37473273
-0.00041338 0.00004208 0.00041399
-0.00136073 -0.01533602 -0.00130457
-11.66120645 0.69427489 -12.41924624
-0.00015752 0.00009672 0.00073348
0.00179212 0.02810807 -0.01332453
-38.14548905 4.02249534 2.38172619
0.00016821 0.00009877 0.00101588
0.02109069 -0.02381603 0.01532136
-39.68690171 1.94655331 3.32201239
0.00026499 0.00018462 0.00016765
0.00308366 -0.01763170 0.00707759
-9.80935372 -3.44411081 0.80717366
-0.00044004 -0.00032567 0.00044105
-0.00716195 0.00342395 -0.00364785
-8.52121495 -3.44346856 3.39900368
-0.00143249 0.00054113 -0.00035678
0.03425308 -0.01800009 0.01532312
0.17315232 -0.65563290 7.28867267
0.00021316 -0.00061317 -0.00109867
0.00773361 0.00779403 -0.01058800
1.92935505 1.15949445 8.99158871
-0.00037232 -0.00010074 -0.00003138
-0.00266612 -0.00311479 -0.00870252
-32.32344448 1.00318601 2.34829080
-0.00074281 0.00006056 -0.00102257
-0.00851960 -0.01738941 0.00025634
-34.15747995 3.35745264 1.89979701
-0.00043249 0.00071926 -0.00090218
0.01822067 -0.01759620 0.00039330
12.68309616 12.75475046 -15.41453654
0.00000473 0.00071279 0.00026361
0.03198294 0.03001957 0.02571238
15.48751917 12.78607703 -14.85182152
0.00034161 -0.00020260 0.00138410
0.02870340 -0.01245509 -0.00737843
-3.95382144 8.80517074 4.59242590
0.00011156 -0.00012267 -0.00105728
-0.00074319 0.00193910 -0.00181284
-3.63311722 6.94797043 2.37640754
-0.00033687 0.00056261 -0.00006633
0.02557112 -0.00753126 -0.06393536
6.11554069 15.83073399 -10.09954842
0.00025720 -0.00083637 0.00009793
-0.00839045 0.01636279 0.02061455
7.61787819 16.93382782 -7.89178558
0.00029060 0.00029011 0.00056391
-0.00407544 0.00230955 0.00143163
7.75948763 7.20003168 -22.64699861
-0.00087355 0.00028927 0.00043297
-0.00306614 0.00445520 0.01718748
7.85103586 7.99913375 -19.72857318
-0.00043800 0.00119937 -0.00057097
0.00733034 0.00337461 -0.00685499
21.69319407 17.79959878 -2.47523140
-0.00049543 -0.00036913 -0.00034986
-0.00372137 -0.00176238 0.00361199
24.52349056 17.86309787 -3.34116428
-0.00070504 -0.00061571 0.00021231
-0.00341641 0.00462909 -0.00398523
1.20166038 11.19183834 -21.39828784
-0.00043587 -0.00050958 0.00051626
-0.00205313 -0.01441295 0.00607986
0.62980211 13.82204515 -22.28474907
-0.00004149 -0.00048036 -0.00001077
-0.00051915 0.01701737 -0.00462641
9.83169925 -5.16127591 -1.66329233
0.00043601 0.00103396 -0.00026730
-0.01907309 -0.06983810 0.00183014
9.41092167 -2.67310106 -2.86893311
0.00116831 -0.00057839 -0.00159994
-0.01026905 0.01006327 -0.00614573
-18.78582737 -4.10857802 5.27565562
0.00056935 -0.00041915 -0.00000125
-0.01039106 -0.02307353 0.00442103
-17.13226091 -3.08798839 3.10713024
-0.00042199 -0.00059902 -0.00043033
-0.00789573 -0.00484333 -0.00383523
-15.41539216 0.29399843 16.77278562
0.00007442 0.00049856 -0.00029421
-0.00133468 0.00052340 -0.01235602
-13.75291047 1.03246111 18.93376357
0.00040193 0.00006011 0.00011132
-0.00250632 0.00449019 0.00451108
3.10494728 3.86170560 -4.28891945
-0.00004044 0.00090769 0.00053599
0.00318470 -0.00988182 0.00317921
3.25174413 1.05667871 -3.11631429
-0.00003378 -0.00028032 -0.00006781
0.01076096 0.01241691 -0.01108382
23.04740992 -9.59382626 -10.35316203
0.00079865 -0.00108174 -0.00037664
0.00498372 0.00637141 0.00271197
24.94345644 -7.90511212 -8.58630746
-0.00023307 -0.00032185 -0.00035973
-0.01624282 -0.00084198 -0.01571354
2.42722563 -9.03080190 5.61231639
-0.00003966 -0.00049502 0.00114671
-0.00872837 0.00958396 -0.00506044
2.50999288 -8.19819635 8.30167092
-0.00076702 -0.00076970 0.00072219
-0.02202614 0.01753955 -0.02381419
-3.61888106 -2.90227404 -17.74825448
0.00095316 0.00027185 -0.00068383
-0.00689833 0.03317483 -0.00194227
-5.04255703 -0.35538900 -17.02024424
-0.00013573 -0.00024523 -0.00033294
0.00442924 -0.00760960 0.00251990
2.00196998 4.73578018 -12.03061164
-0.00098219 0.00031829 0.00017962
0.02129058 -0.00156783 0.01676770
1.93741564 3.96638296 -9.25732007
-0.00110627 0.00108921 0.00002613
0.00252671 -0.00058480 0.00000746
-1.00574289 16.37692653 13.17208724
0.00054676 -0.00036381 0.00001258
0.00609160 -0.01318495 0.01448516
-2.51316840 17.16895772 15.78398929
0.00010508 -0.00018001 -0.00060378
0.00622739 -0.00797771 -0.02064630
-1.77828827 1.17551653 -5.59427687
-0.00063036 0.00022662 0.00008974
0.00272798 -0.01293555 0.02000674
-2.86603648 0.80925027 -8.38288000
-0.00007690 0.00023159 0.00112921
0.00516432 0.02238462 0.02367311
-8.24108322 -3.17905486 -4.81685511
0.00015398 0.00008369 0.00098111
0.02460948 0.03243766 0.00870230
-7.33578835 -0.34024179 -3.92489129
0.00007199 0.00020877 0.00027644
0.00047656 -0.02179006 -0.00961660
1.29592477 28.28178604 5.70076219
-0.00098859 -0.00034085 0.00051540
-0.00848425 0.00270386 0.02273028
-1.45735685 28.37935451 6.62328465
0.00098901 -0.00057400 0.00004013
0.04149973 -0.00494079 0.01642143
8.38376882 -9.18603013 -2.15683933
0.00011272 -0.00056316 0.00064656
-0.01407019 -0.00352309 0.00029009
10.12882914 -10.00384007 0.15524164
0.00011447 0.00020538 0.00037462
0.00080359 0.01309740 -0.01668852
-6.03413273 0.34046455 9.18965193
0.00022463 0.00057969 0.00027027
0.04008572 -0.00441465 0.03536510
-8.47676088 -0.19851953 8.23095546
-0.00010142 0.00024193 -0.00054100
-0.00208752 -0.00079162 -0.01347088
19.62326663 11.25230892 7.98496748
-0.00091488 0.00047653 -0.00002556
0.00067052 0.00854424 -0.01362400
19.49319495 13.28263802 5.71700001
-0.00002458 0.00003433 0.00124508
-0.00306387 -0.02406996 0.01465260
-2.65656594 -2.35170831 -22.29091119
0.00027827 -0.00013815 -0.00109646
-0.03089031 -0.02198813 -0.02163828
-4.89114955 -3.54218021 -24.28394631
-0.00056272 -0.00017951 -0.00038958
0.01217268 0.01987047 0.01005651
-12.47948119 9.17105817 9.59074459
0.00008464 -0.00006591 0.00030961
0.00062469 -0.00051013 -0.00511666
-13.10146496 8.74177248 6.69348833
0.00054166 0.00043316 0.00027137
0.00550555 0.00755219 0.00670802
-12.71038349 7.32293367 -4.60978288
-0.00071286 -0.00018298 -0.00055246
-0.00069545 0.00651062 0.01609453
-11.59249280 9.09698171 -2.49004080
-0.00085843 -0.00092242 0.00001686
0.00135052 0.01937814 -0.00019185
-4.80920673 -17.33474805 19.89613497
-0.00096991 -0.00040764 -0.00094231
-0.02836300 -0.01322953 -0.00357715
-2.02479566 -16.91519870 19.43539452
-0.00016918 0.00076069 -0.00081508
-0.00927381 0.00898071 0.01232030
-3.59822803 5.37667400 -7.01495978
0.00041744 -0.00035085 -0.00038621
0.00567654 0.00670876 -0.00127700
-3.80205818 8.51957103 -6.68956162
-0.00099589 0.00048809 0.00108786
0.00284337 -0.03745779 -0.02402649
-21.15344699 28.16087336 0.40748914
0.00026212 -0.00039382 0.00106772
-0.00565540 -0.00957681 -0.00354984
-18.92300054 29.50644644 1.45207785
-0.00035578 0.00044797 -0.00134573
0.04578795 0.00110972 -0.00101700
8.48461034 2.55826024 6.24968600
-0.00038006 0.00083755 0.00127179
0.02404426 0.00948974 0.01740679
9.18632900 4.88539662 8.03777124
-0.00005377 0.00011919 0.00051477
0.01648522 -0.03598107 -0.00897317
7.14033216 15.37799623 -14.39796829
0.00064591 0.00185468 0.00081794
0.02354757 0.02028305 -0.03696111
6.74011983 12.69403200 -13.14902583
0.00141291 -0.00044052 0.00010958
-0.00448309 0.04802727 -0.00169782
13.21408899 5.22939751 -3.44632590
-0.00014868 -0.00077131 0.00078486
0.00474094 -0.02285989 0.01815318
13.32263679 3.20029355 -1.24716253
-0.00045661 -0.00090211 -0.00145067
-0.01478410 0.00280162 0.02195566
-5.18858798 9.57979880 -0.15395264
0.00024816 0.00084777 -0.00111290
0.00742245 -0.00485607 -0.00321149
-7.95667752 10.23832964 -0.31737127
0.00065648 -0.00083418 -0.00071670
0.01702906 0.01430609 0.00638731
4.65098448 12.98943528 2.21831741
0.00022817 0.00086530 -0.00004179
-0.01056942 -0.00572366 -0.01569557
7.62122392 12.12917264 2.57014941
0.00112244 -0.00003242 0.00006287
-0.04077230 0.02580429 0.01470846
20.97483711 -12.90871053 -10.27986108
0.00135525 0.00001608 -0.00042346
-0.00073154 -0.00261706 -0.01020883
22.34347359 -13.68702182 -12.85262229
0.00086307 0.00062052 0.00036712
-0.00267660 0.02290742 0.01395498
17.98677143 -5.97456900 2.01447828
-0.00008358 0.00007963 -0.00126053
-0.02293134 -0.00232978 0.01208429
16.33320639 -8.04134217 3.10110953
0.00067280 0.00053544 -0.00079161
-0.01152708 -0.02566407 -0.00338461
14.29846903 8.14787469 10.85034237
0.00068980 -0.00027848 -0.00056162
-0.01687655 0.01826693 0.00856207
16.63886967 6.57167408 10.90611170
0.00042051 -0.00021733 -0.00029940
0.00122102 0.00116905 0.00148579
1.93361535 -13.30884866 14.98937109
-0.00170100 -0.00081545 0.00039830
-0.00157912 0.01096753 0.00117657
3.60286201 -12.31252364 17.37206985
0.00009814 -0.00009685 0.00072188
-0.00825807 -0.00534126 -0.01793402
-3.48416594 -2.73338017 -9.99371992
0.00006229 -0.00045447 0.00075428
0.00279402 0.00974778 -0.00353999
-1.93351739 -0.73592213 -11.66697555
-0.00074210 -0.00134351 0.00008488
-0.00056481 -0.00469570 0.00039669
15.12711738 -7.66974745 -11.42445361
0.00038805 -0.00035010 -0.00107999
-0.00728055 -0.01144900 0.03459014
16.98677053 -6.97689978 -9.16742501
0.00012229 -0.00022025 -0.00083087
-0.01302783 -0.00886949 0.00694503
7.56042470 -2.97492112 5.61409969
0.00039618 -0.00061934 0.00006454
-0.04008893 0.01123129 -0.00802104
10.21051431 -3.70188248 4.89061330
0.00051278 -0.00128857 0.00095605
-0.00807734 0.00336721 0.01665274
-21.19982721 1.07709351 22.75189315
0.00103622 -0.00064342 -0.00029044
-0.00486404 0.00360090 0.00901112
-23.01241331 0.68564382 25.09106947
-0.00104742 -0.00001181 -0.00042704
-0.00678186 -0.00496181 -0.00000428
25.65441203 -2.60836613 -7.97508408
0.00020173 0.00072705 -0.00017868
-0.00069541 0.00049209 0.01867307
23.65741853 -0.62494117 -7.23569416
-0.00002184 -0.00030587 -0.00055526
0.00337847 -0.00320232 0.00357116
11.26065286 -13.03074763 -8.65174675
-0.00045608 0.00025797 -0.00034396
0.00017060 0.02432063 -0.01164091
12.72142775 -10.33336675 -9.43598498
0.00036588 -0.00066791 -0.00033904
-0.00742928 -0.02264835 -0.00482922
-5.58014270 -10.38066518 18.18705462
-0.00061144 0.00010563 -0.00051881
-0.00145388 -0.00413258 0.02794347
-6.24448704 -9.92044186 15.43239676
0.00040902 -0.00027659 0.00029649
0.03872620 -0.00502226 0.01320518
9.17467388 1.23634807 -31.77144685
0.00018154 0.00042260 0.00021150
-0.00679736 -0.00745093 -0.00162176
6.58951570 2.67502621 -31.61110854
0.00017386 0.00037309 -0.00140592
0.00189651 -0.00272454 -0.00578675
11.40407278 18.05127547 13.18085546
0.00010021 -0.00048691 -0.00098972
-0.00290690 -0.01377797 0.01501379
11.87099146 15.50792470 14.63031524
0.00020328 -0.00095505 -0.00030794
0.01185101 -0.00558053 -0.00741855
30.84696001 5.45528237 -7.88716069
0.00065659 -0.00018455 0.00028102
0.00248946 -0.00510431 -0.00567335
28.70605552 7.45648454 -7.41106714
-0.00075483 -0.00050425 -0.00033659
0.05305390 0.00255677 -0.00286995
-8.41402329 4.84282722 5.64674842
0.00005106 -0.00007977 0.00002843
0.00724432 0.00526953 0.00301729
-10.73669694 10.14318963 3.38654100
0.00003423 -0.00002240 -0.00010445
-0.00484297 -0.00585016 0.00620760
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08361646
0.31957911
425.82314653
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3186234191 (a.u.)
total exchange computation time: 2.7897119522 s
-153.9244860432
-931.40122282
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3187053299 (a.u.)
total exchange computation time: 2.7932491302 s
-153.9245188173
Anderson extrapolation: theta=1.3565836920 (1.3565836920)
-931.40147512
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3187725543 (a.u.)
total exchange computation time: 2.7908170223 s
-153.9248143876
Anderson extrapolation: theta=0.0557180418 (0.0557180418)
-931.40162826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3187357098 (a.u.)
total exchange computation time: 2.7914450169 s
-153.9251292181
Anderson extrapolation: theta=2.0815962052 (2.0000000000)
-931.40163489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3186454740 (a.u.)
total exchange computation time: 2.7935321331 s
-153.9258363611
Anderson extrapolation: theta=0.2776706384 (0.2776706384)
-931.40164283
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3186172488 (a.u.)
total exchange computation time: 2.7899630070 s
-153.9260100889
Anderson extrapolation: theta=1.5706385671 (1.5706385671)
-931.40164464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3185870253 (a.u.)
total exchange computation time: 2.7923858166 s
-153.9261361225
Anderson extrapolation: theta=0.3419433695 (0.3419433695)
-931.40164662
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3185918088 (a.u.)
total exchange computation time: 2.7915041447 s
-153.9260355721
Anderson extrapolation: theta=1.1062404403 (1.1062404403)
-931.40164718
-211.866721 121.289312 -36.452600
566.397751 1066.369437 -418.686963
354.531030 1187.658749 -455.139563
1320.370243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3186085749 (a.u.)
total exchange computation time: 2.7908549309 s
678.08757117
-1082.09929835
89.80001957
-390.20089249
-174.67043890
77.34942984
551.60419304
0.00000000
-931.40164757
5.49015295 -31.27569269 -3.77255329
-0.00031257 -0.00025604 0.00007170
-0.02232582 -0.00688465 0.01327592
-11.86737336 -0.98189448 -11.83070366
-0.00005697 0.00015544 -0.00003076
0.00932856 -0.01898791 0.01666661
-37.88045302 2.33221191 3.29027180
0.00012046 0.00019688 -0.00029257
-0.02361805 0.04021419 -0.01822693
-9.85849209 -2.73058829 2.49211248
-0.00040341 0.00015239 0.00009017
-0.02474352 0.02511021 -0.00097341
0.82330195 -0.28757416 8.93980052
0.00032059 -0.00016490 0.00008477
-0.00954540 -0.01184055 0.00865593
-32.40187285 2.72979590 1.79931635
0.00008501 -0.00010620 0.00003525
-0.01287623 0.03189532 -0.00213069
14.05596469 13.78011971 -14.45956038
0.00016589 0.00022082 -0.00038343
-0.05586744 -0.01433780 -0.01835550
-4.18725153 7.06155574 3.99828954
-0.00050935 -0.00014620 -0.00008748
-0.02243426 0.00000570 0.07082886
5.84117542 16.70397887 -8.38870326
0.00020238 -0.00005501 0.00027201
0.01394821 -0.02089481 -0.02125300
6.77270975 7.27479840 -21.01810521
-0.00012651 0.00016792 0.00003821
-0.00705186 -0.01354648 -0.00860716
23.36171277 17.11094168 -2.15239608
-0.00011105 -0.00001815 0.00024636
0.01082741 -0.00887662 0.00108487
1.41193450 12.93659818 -20.91166611
0.00010376 0.00017346 0.00025293
-0.00066847 -0.01285650 -0.00508279
10.42953830 -3.55050473 -1.66746327
0.00006278 0.00005806 0.00004299
0.02600232 0.06109741 -0.00922878
-17.83190856 -2.69351233 4.73974278
0.00018126 0.00002275 0.00019403
0.01172895 0.02059047 -0.00950597
-15.28347053 0.11700854 18.56595327
0.00004185 -0.00013932 -0.00012256
0.01808402 -0.00761304 0.00515032
2.67215764 2.78192110 -2.87840300
-0.00042859 0.00015049 0.00018906
-0.02032765 0.00366877 0.00847709
23.43879555 -7.89705544 -9.68660204
0.00014597 -0.00007740 -0.00015055
0.01486765 -0.00610454 0.00508695
1.49544773 -7.89105644 6.71771849
0.00029593 0.00015995 0.00006032
0.02789204 -0.01368901 0.02782176
-3.65046138 -1.02623437 -18.05085621
0.00033754 0.00033354 0.00034312
0.01218273 -0.02956563 -0.00187231
3.15585475 4.26135146 -10.58830365
-0.00017879 -0.00008147 0.00029334
-0.03033106 0.00208118 -0.01696141
-2.62501119 16.82707495 13.96987563
-0.00007286 0.00006916 0.00024998
-0.01266617 0.01803907 -0.00201460
-2.27256706 2.11219749 -7.02068131
-0.00001045 0.00003224 -0.00001928
-0.00934247 -0.00943271 -0.04139105
-6.74246910 -2.02924805 -4.49110874
-0.00026242 -0.00007272 -0.00019916
-0.02524650 -0.00789295 0.00202214
0.37740944 28.28552888 7.35484755
-0.00005713 0.00016578 -0.00002790
-0.03632594 -0.00106163 -0.04186043
10.08510785 -9.13666869 -1.51610714
0.00018544 -0.00000927 -0.00024948
0.02038869 -0.01071580 0.01584542
-6.86895480 0.48667425 7.64623769
-0.00024459 0.00027868 0.00025476
-0.03861792 0.00768464 -0.02154470
18.77475965 11.67463729 6.37891530
0.00036842 -0.00015478 0.00019218
-0.00029224 0.01112562 -0.00246120
-3.33837176 -3.82893550 -23.26115368
-0.00007156 0.00040147 0.00017946
0.00611060 0.00506252 0.00744054
-13.63542285 8.33788484 8.41422390
-0.00004076 0.00005697 0.00029879
-0.00308309 -0.00543013 -0.00269696
-12.18824871 7.42026978 -2.77583068
-0.00024815 -0.00012118 -0.00036791
-0.00641552 -0.02822662 -0.01938061
-3.43852080 -16.36682469 20.51121008
-0.00029620 -0.00019281 0.00024284
0.03308481 0.00257740 -0.00759257
-3.44494391 7.00051940 -7.88011834
-0.00046897 0.00022499 0.00006358
-0.00739618 0.04280823 0.02153557
-20.67443026 29.64085918 1.32433739
0.00002731 0.00026620 -0.00003620
-0.04112418 0.01121424 0.00660057
9.87492134 3.12229544 7.46035090
0.00008726 -0.00026110 -0.00024463
-0.04183345 0.04334822 -0.00548485
6.38877382 14.59344362 -13.01697270
-0.00001413 0.00021571 0.00043806
-0.00934288 -0.07378901 0.03443337
14.12787606 3.73534696 -2.75816141
-0.00001217 -0.00017551 0.00025692
0.01605343 0.01507584 -0.04618243
-6.26006339 11.01962823 -0.37281541
0.00011757 -0.00027505 0.00020746
-0.02238697 0.00085396 -0.00800924
6.17830306 13.28145654 3.13264508
0.00011265 0.00032155 -0.00001535
0.05506555 -0.01721465 0.00804568
21.88055729 -12.18590291 -11.72946462
-0.00016676 0.00005861 -0.00018979
-0.00021823 -0.02081405 -0.00261761
16.74245486 -6.33344751 3.39502394
0.00011970 0.00004931 0.00017472
0.03816839 0.03548189 -0.02178617
15.32834531 7.14837805 9.76742479
0.00007075 -0.00021722 -0.00031263
0.01814763 -0.02314343 -0.01676452
3.01130593 -13.75956583 16.36118802
-0.00007619 0.00024209 -0.00039653
0.01846950 -0.00872059 0.01410828
-3.57138747 -1.05731764 -10.83962658
0.00003298 -0.00026273 -0.00023862
-0.00530307 -0.00368199 0.01429189
15.35309308 -7.87318415 -9.50015931
-0.00001339 0.00018050 0.00014932
0.00482571 0.01687319 -0.04498978
9.05008667 -3.57663233 6.37503227
0.00050915 -0.00041424 -0.00013090
0.04168001 -0.01668621 -0.00004940
-21.55159875 1.58737027 24.47878251
-0.00020543 0.00000415 -0.00008568
0.01079338 0.00292994 -0.00957906
24.90807166 -1.74130689 -6.49077379
0.00000983 -0.00005419 -0.00005730
-0.00344157 0.00116217 -0.02370349
11.78984123 -11.85380960 -10.01871403
0.00032819 -0.00005406 -0.00001701
0.00420709 -0.00469820 0.01014670
-4.76171755 -10.34005678 16.58470837
0.00020291 -0.00024813 -0.00010062
-0.02847585 -0.00065779 -0.03388132
8.19720826 2.41754133 -30.77233347
0.00019807 0.00026218 -0.00051784
-0.01137755 0.00672463 0.01066464
10.93351340 17.03829913 14.68452153
0.00011532 -0.00028251 -0.00016607
-0.00264035 0.02542718 -0.01218422
30.67583238 7.27077724 -7.55154742
0.00000196 -0.00003579 0.00032561
-0.05791742 0.00142053 0.01182999
5.76146242 -30.14332600 -5.18273248
-0.00034254 0.00050611 -0.00037810
-0.00799376 0.00632605 -0.00399159
3.90411182 -30.81571505 -2.87562065
0.00013437 0.00061950 0.00049005
0.02260463 0.00483890 -0.01308096
-12.56429527 -1.76207996 -13.36856282
-0.00041864 -0.00001973 0.00040717
-0.00121559 -0.01492144 -0.00203576
-11.66351438 0.69658699 -12.40865233
-0.00014971 0.00021442 0.00067660
0.00203043 0.02950805 -0.01451874
-38.14231961 4.02324703 2.39743383
0.00025310 0.00000705 0.00107429
0.02046246 -0.02108151 0.01327211
-39.68283237 1.94878226 3.32474404
0.00027603 0.00011217 0.00019606
0.00231999 -0.01783278 0.00682803
-9.81617383 -3.44889093 0.81367765
-0.00046931 -0.00031188 0.00042446
-0.00716448 0.00332571 -0.00447393
-8.54165262 -3.43590316 3.39412147
-0.00127579 0.00045934 -0.00028213
0.04244942 -0.02203536 0.02122062
0.17658665 -0.66459168 7.27186817
0.00025146 -0.00057717 -0.00112357
0.01101668 0.00983055 -0.00160298
1.92368857 1.15788789 8.99085141
-0.00037931 -0.00010857 -0.00006702
-0.00075407 -0.00071695 -0.00874721
-32.33484768 1.00356159 2.33296012
-0.00077792 -0.00001752 -0.00101864
-0.00866774 -0.02083288 0.00166714
-34.16340902 3.36770238 1.88627629
-0.00034946 0.00064368 -0.00090023
0.02242350 -0.01940074 0.00056500
12.68414712 12.76636219 -15.40979443
0.00013372 0.00083190 0.00036563
0.03115970 0.02828624 0.02422326
15.49352295 12.78265631 -14.83128609
0.00045661 -0.00025408 0.00135254
0.02758685 -0.01274140 -0.00807029
-3.95217081 8.80339012 4.57651116
0.00010777 -0.00011335 -0.00106127
-0.00111126 0.00262456 -0.00014027
-3.63738664 6.95617878 2.37345345
-0.00023380 0.00053033 -0.00032579
0.02487856 -0.00827156 -0.06307411
6.11914155 15.81868983 -10.09744776
0.00022322 -0.00076715 0.00018552
-0.00824082 0.01752077 0.02226167
7.62211234 16.93825023 -7.88328307
0.00027147 0.00029855 0.00056798
-0.00528760 0.00182336 0.00056277
7.74629039 7.20450724 -22.63997735
-0.00088202 0.00030682 0.00049648
-0.00108065 0.00413373 0.01389782
7.84469043 8.01722771 -19.73734784
-0.00040652 0.00121406 -0.00059656
0.00808211 0.00381748 -0.00567114
21.68564858 17.79400779 -2.48036865
-0.00050636 -0.00037836 -0.00033366
-0.00163071 -0.00275329 0.00432144
24.51281031 17.85400409 -3.33810174
-0.00071223 -0.00059298 0.00018972
-0.00010590 0.00649848 -0.00707069
1.19505938 11.18375291 -21.39035764
-0.00044249 -0.00055857 0.00054413
-0.00118761 -0.00956464 0.00756486
0.62916379 13.81536119 -22.28505244
-0.00004390 -0.00041026 -0.00003004
-0.00065784 0.01729692 -0.00480683
9.83765494 -5.14790654 -1.66724576
0.00035080 0.00072795 -0.00025961
-0.02263899 -0.07995716 0.00193464
9.42813166 -2.68146849 -2.89312047
0.00112887 -0.00053851 -0.00162256
-0.00903628 0.00945619 -0.00492836
-18.77760549 -4.11557233 5.27577240
0.00052747 -0.00051145 0.00001754
-0.01011163 -0.02210632 0.00477521
-17.13883274 -3.09712215 3.10055772
-0.00045597 -0.00061591 -0.00043953
-0.00873483 -0.00342271 -0.00066591
-15.41431676 0.30149284 16.76799390
0.00006917 0.00050043 -0.00034062
-0.00123573 0.00039346 -0.01036332
-13.74695834 1.03350043 18.93557155
0.00038550 0.00007467 0.00012846
-0.00553572 0.00263245 0.00388097
3.10443821 3.87501821 -4.28078222
-0.00002808 0.00086445 0.00055156
0.00286832 -0.01128909 0.00444219
3.25156720 1.05285435 -3.11767109
0.00000788 -0.00022161 -0.00011256
0.00963181 0.01632346 -0.01082176
23.05954233 -9.60985710 -10.35872853
0.00081936 -0.00104577 -0.00036254
0.00515502 0.01123626 0.00419128
24.93946271 -7.90996563 -8.59218489
-0.00029389 -0.00032412 -0.00041956
-0.01352898 -0.00026853 -0.01357559
2.42636333 -9.03793352 5.62936196
-0.00007205 -0.00045950 0.00112097
-0.00712910 0.00780406 -0.00753801
2.49781265 -8.20920440 8.31177397
-0.00085693 -0.00069640 0.00062407
-0.02198656 0.01834015 -0.02421176
-3.60479498 -2.89717967 -17.75857145
0.00092409 0.00040587 -0.00069071
-0.00733293 0.03242536 -0.00142372
-5.04445723 -0.35930062 -17.02516115
-0.00011976 -0.00027540 -0.00032044
0.00338778 -0.00716058 0.00360177
1.98788956 4.74050644 -12.02740353
-0.00088939 0.00030972 0.00025135
0.02413709 -0.00262758 0.01834685
1.92089909 3.98270312 -9.25692787
-0.00109221 0.00108620 0.00002546
0.00435222 -0.00088506 -0.00033585
-0.99735478 16.37106533 13.17271981
0.00056332 -0.00041563 0.00007513
0.00201399 -0.01218121 0.01613534
-2.51140130 17.16601311 15.77429992
0.00013088 -0.00021010 -0.00067471
0.00639881 -0.00675189 -0.01407575
-1.78766012 1.17851940 -5.59231765
-0.00061812 0.00017309 0.00017434
0.00326344 -0.01326709 0.02140405
-2.86703166 0.81341000 -8.36521646
-0.00005750 0.00031951 0.00121966
0.00432780 0.02065535 0.02060491
-8.23801948 -3.17680559 -4.80187180
0.00024826 0.00021171 0.00101434
0.02154349 0.03023278 0.00756434
-7.33469387 -0.33777796 -3.92103934
0.00007476 0.00011659 0.00023612
0.00088037 -0.02333103 -0.01012013
1.28083601 28.27675612 5.70918975
-0.00101444 -0.00032979 0.00059815
-0.00417218 0.00271011 0.01777367
-1.44125000 28.37059314 6.62438977
0.00114806 -0.00059277 0.00010640
0.03635575 -0.00424826 0.01602126
8.38502844 -9.19458546 -2.14713200
0.00005245 -0.00057667 0.00064540
-0.01542921 -0.00309108 -0.00085909
10.13057078 -10.00035797 0.16034952
0.00011904 0.00026094 0.00030176
0.00143631 0.01409707 -0.01897648
-6.02953497 0.34902465 9.19478961
0.00038381 0.00056132 0.00040955
0.03783614 -0.00457925 0.03281741
-8.47834615 -0.19491485 8.22242770
-0.00011294 0.00023705 -0.00059297
-0.00355262 -0.00159425 -0.01196823
19.60956394 11.25971868 7.98416664
-0.00090676 0.00050745 -0.00007125
0.00330373 0.00658941 -0.00874110
19.49273242 13.28241545 5.73612521
-0.00003548 -0.00005945 0.00130165
-0.00227499 -0.02183884 0.01303850
-2.65333854 -2.35445428 -22.30802123
0.00015589 -0.00021782 -0.00117826
-0.02901532 -0.01701250 -0.01839965
-4.89921740 -3.54426390 -24.28948180
-0.00050670 -0.00009833 -0.00034467
0.01525168 0.01986330 0.01192592
-12.47819250 9.17005385 9.59523200
0.00008689 -0.00006835 0.00028912
0.00047802 -0.00068241 -0.00491651
-13.09317139 8.74850126 6.69776449
0.00056249 0.00046251 0.00030150
0.00469192 0.00681874 0.00803753
-12.72109763 7.32038843 -4.61757660
-0.00071446 -0.00015551 -0.00048439
-0.00008822 0.00693904 0.01722461
-11.60532787 9.08373929 -2.48979373
-0.00084792 -0.00082946 0.00001801
0.00379379 0.02612447 0.00075095
-4.82462454 -17.34126803 19.88189076
-0.00107270 -0.00045213 -0.00095040
-0.02195076 -0.00854957 -0.00038372
-2.02761754 -16.90351314 19.42354591
-0.00021144 0.00079841 -0.00076112
-0.01141314 0.00948158 0.01409384
-3.59179250 5.37161684 -7.02079210
0.00044029 -0.00032073 -0.00039228
0.00550823 0.00803485 -0.00169369
-3.81690942 8.52574461 -6.67397992
-0.00098236 0.00033032 0.00098475
0.00378122 -0.03977512 -0.02644733
-21.14968848 28.15467267 0.42339620
0.00023693 -0.00043407 0.00105254
-0.00667309 -0.01012874 -0.00388380
-18.92693418 29.51319999 1.43186068
-0.00016029 0.00045321 -0.00134877
0.04990733 0.00145511 -0.00046985
8.47964622 2.57111428 6.26929621
-0.00028753 0.00087107 0.00133507
0.02125051 0.00691756 0.01356921
9.18602767 4.88608195 8.04521789
0.00001626 -0.00003107 0.00047670
0.01779456 -0.03757238 -0.00966358
7.15074237 15.40643804 -14.38683176
0.00073612 0.00193009 0.00067951
0.02061150 0.01662676 -0.03080076
6.76117606 12.68889588 -13.14743419
0.00139229 -0.00023532 0.00010252
-0.00560966 0.05241844 -0.00175625
13.21200409 5.21712735 -3.43399673
-0.00013313 -0.00085739 0.00085453
0.00286831 -0.01927662 0.01595208
13.31533459 3.18684778 -1.26824979
-0.00052358 -0.00089655 -0.00134619
-0.01799581 -0.00008159 0.02918598
-5.18463818 9.59236655 -0.17074453
0.00028850 0.00081507 -0.00112416
0.01232336 -0.01115157 -0.00230151
-7.94630851 10.22625528 -0.32792601
0.00072202 -0.00077705 -0.00069013
0.01505158 0.01366123 0.00661681
4.65408317 13.00223943 2.21720964
0.00018324 0.00084054 -0.00010766
-0.01142291 -0.00639855 -0.01655137
7.63681107 12.12947707 2.57154315
0.00094852 0.00007788 0.00012484
-0.04435845 0.02819020 0.01562873
20.99514348 -12.90854956 -10.28652574
0.00134502 0.00000080 -0.00045477
-0.00427859 -0.00485941 -0.00511945
22.35633762 -13.67701213 -12.84668784
0.00085222 0.00071055 0.00042057
-0.00263537 0.02116316 0.01220686
17.98481511 -5.97344597 1.99594065
-0.00018283 0.00007041 -0.00120262
-0.02565191 -0.00218296 0.01626167
16.34294517 -8.03409707 3.08913162
0.00062296 0.00042279 -0.00080543
-0.01286871 -0.02947686 -0.00338127
14.30829896 8.14425720 10.84218039
0.00061593 -0.00019930 -0.00052130
-0.01928586 0.02049134 0.01117743
16.64521475 6.56844995 10.90166626
0.00042247 -0.00021124 -0.00029584
-0.00026160 0.00181267 0.00025784
1.90805202 -13.32074437 14.99538161
-0.00170589 -0.00076918 0.00040601
-0.00081764 0.01168473 0.00259923
3.60408107 -12.31413999 17.38234845
0.00006143 -0.00012067 0.00064431
-0.00971098 -0.00632097 -0.02003582
-3.48314591 -2.73989846 -9.98251419
0.00007276 -0.00040874 0.00073650
0.00232828 0.01263574 -0.00516375
-1.94466617 -0.75621864 -11.66569021
-0.00073354 -0.00135938 0.00008092
0.00475613 -0.00307130 -0.00233531
15.13271509 -7.67534972 -11.43959351
0.00035743 -0.00039726 -0.00092915
-0.00770942 -0.01163846 0.03924824
16.98820571 -6.98047536 -9.17967530
0.00007110 -0.00025501 -0.00080036
-0.01203169 -0.00814484 0.00799082
7.56513891 -2.98386708 5.61482198
0.00023326 -0.00057345 0.00003031
-0.03966081 0.01123532 -0.00873208
10.21795847 -3.72110786 4.90546434
0.00048353 -0.00127448 0.00101646
-0.00623792 0.00353183 0.01292028
-21.18443296 1.06755259 22.74781270
0.00101381 -0.00062627 -0.00024522
-0.00610335 0.00479226 0.01312202
-23.02833241 0.68531456 25.08466378
-0.00106823 -0.00002811 -0.00043020
-0.00340335 -0.00301404 -0.00154319
25.65741661 -2.59744537 -7.97719204
0.00020059 0.00072666 -0.00010399
0.00013887 -0.00067842 0.01788830
23.65719446 -0.62962741 -7.24391359
-0.00000778 -0.00031880 -0.00053933
0.00350572 -0.00312753 0.00422442
11.25381682 -13.02613279 -8.65726290
-0.00045559 0.00035521 -0.00038873
0.00007308 0.02327860 -0.01027159
12.72668836 -10.34407946 -9.44121860
0.00033900 -0.00075385 -0.00035578
-0.00572987 -0.01942025 -0.00336396
-5.58935887 -10.37920737 18.18012873
-0.00061587 0.00008859 -0.00040404
-0.00071480 -0.00420873 0.02823538
-6.23716503 -9.92474467 15.43724880
0.00056374 -0.00029574 0.00034531
0.03700973 -0.00434813 0.01069356
9.17718869 1.24245871 -31.76832403
0.00015790 0.00038731 0.00020116
-0.00477422 -0.00982018 -0.00344031
6.59218171 2.68053910 -31.63237470
0.00018718 0.00036117 -0.00142573
0.00462629 -0.00310975 -0.00390921
11.40548686 18.04354957 13.16646968
0.00008677 -0.00054644 -0.00092270
-0.00367104 -0.01536301 0.01779544
11.87440380 15.49342792 14.62546878
0.00024608 -0.00096854 -0.00033792
0.00909850 -0.00102428 -0.00725501
30.85688518 5.45235769 -7.88311929
0.00066574 -0.00020253 0.00025817
0.00198628 -0.00369753 -0.00551043
28.69635886 7.44899915 -7.41620394
-0.00053347 -0.00049385 -0.00034794
0.05530040 0.00253448 -0.00268626
-8.41323799 4.84164488 5.64718300
0.00005364 -0.00007791 0.00002948
0.00720207 0.00509676 0.00283276
-10.73619196 10.14284351 3.38498507
0.00003307 -0.00002374 -0.00010300
-0.00510132 -0.00572521 0.00631439
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08389280
0.31775478
423.39230879
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3230677614 (a.u.)
total exchange computation time: 2.7917239666 s
-153.9370878622
-931.40073090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3230853843 (a.u.)
total exchange computation time: 2.7912280560 s
-153.9376724063
Anderson extrapolation: theta=1.3435259656 (1.3435259656)
-931.40098664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3230663497 (a.u.)
total exchange computation time: 2.7922370434 s
-153.9386938263
Anderson extrapolation: theta=0.0516579105 (0.0516579105)
-931.40113934
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3230249236 (a.u.)
total exchange computation time: 2.7911031246 s
-153.9390380270
Anderson extrapolation: theta=1.9692945390 (1.9692945390)
-931.40114526
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3229247100 (a.u.)
total exchange computation time: 2.7903189659 s
-153.9398038490
Anderson extrapolation: theta=0.2280912323 (0.2280912323)
-931.40115192
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3228951336 (a.u.)
total exchange computation time: 2.7909879684 s
-153.9399781976
Anderson extrapolation: theta=1.8685681790 (1.8685681790)
-931.40115329
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3228517502 (a.u.)
total exchange computation time: 2.7934529781 s
-153.9401708308
Anderson extrapolation: theta=0.2807805673 (0.2807805673)
-931.40115506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3228522114 (a.u.)
total exchange computation time: 2.7899701595 s
-153.9400968658
Anderson extrapolation: theta=1.2935032158 (1.2935032158)
-931.40115549
-211.884682 121.250194 -36.451492
566.403789 1066.360282 -418.697861
354.519107 1187.610476 -455.149353
1320.326995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3228622221 (a.u.)
total exchange computation time: 2.7893769741 s
678.14543325
-1082.24127443
89.80325975
-390.10431275
-174.68139944
77.42838005
551.60419304
0.00000000
-931.40115585
5.48537836 -31.27955985 -3.77142660
-0.00032382 -0.00025853 0.00007736
-0.02143468 -0.00280718 0.00873114
-11.86819198 -0.97963615 -11.83110081
-0.00005220 0.00014540 -0.00002189
0.00922426 -0.02003596 0.01784856
-37.87873719 2.33532027 3.28581289
0.00010863 0.00021668 -0.00030127
-0.02239602 0.03678214 -0.01558555
-9.86463869 -2.72820563 2.49346124
-0.00041776 0.00016618 0.00008852
-0.03104761 0.02852383 -0.00545102
0.82807391 -0.29009337 8.94110552
0.00031448 -0.00017210 0.00008706
-0.01418597 -0.01615012 0.00022564
-32.40064732 2.72832600 1.79983685
0.00007753 -0.00008869 0.00003385
-0.01621694 0.03615737 -0.00332292
14.05823757 13.78337664 -14.46538269
0.00013827 0.00021388 -0.00039228
-0.05156268 -0.01263173 -0.01604429
-4.19497837 7.05936275 3.99725053
-0.00052033 -0.00014629 -0.00005260
-0.02027030 -0.00036566 0.06481051
5.84426497 16.70307305 -8.38470513
0.00020978 -0.00006588 0.00026103
0.01482810 -0.02136320 -0.02144002
6.77078497 7.27726496 -21.01756521
-0.00013085 0.00016096 0.00003449
-0.00984222 -0.01353360 -0.00588395
23.36008882 17.11063521 -2.14869650
-0.00010684 -0.00002291 0.00024751
0.00554899 -0.00962301 0.00338958
1.41348838 12.93915047 -20.90789181
0.00010319 0.00016560 0.00024993
-0.00154463 -0.01771017 -0.00655483
10.43058029 -3.54939812 -1.66685397
0.00007630 0.00009133 0.00003778
0.02657583 0.06826447 -0.01103953
-17.82914442 -2.69309163 4.74261653
0.00018734 0.00003250 0.00018839
0.01192157 0.01731300 -0.01242932
-15.28277298 0.11488938 18.56413471
0.00005178 -0.00014271 -0.00012039
0.02053856 -0.00557943 0.00328709
2.66565031 2.78419254 -2.87553440
-0.00043865 0.00015175 0.00019300
-0.01877014 0.00123509 0.00683361
23.44104245 -7.89824001 -9.68884064
0.00015266 -0.00008178 -0.00014889
0.01113875 -0.01091393 0.00135416
1.49999428 -7.88871004 6.71873053
0.00030971 0.00015326 0.00007517
0.02568368 -0.01230755 0.02994089
-3.64535124 -1.02134539 -18.04571668
0.00034416 0.00031862 0.00034178
0.01352988 -0.02841838 -0.00333191
3.15305589 4.26013747 -10.58396895
-0.00019541 -0.00008012 0.00028443
-0.03428254 0.00314999 -0.01770451
-2.62615293 16.82818193 13.97361758
-0.00007828 0.00007779 0.00024662
-0.00843066 0.01553528 -0.01106973
-2.27275983 2.11264467 -7.02113024
-0.00001498 0.00002799 -0.00003978
-0.00826034 -0.00708426 -0.03829656
-6.74650271 -2.03036932 -4.49408833
-0.00027445 -0.00007582 -0.00019770
-0.02153660 -0.00413753 0.00364687
0.37641235 28.28801152 7.35426759
-0.00007532 0.00016505 -0.00004768
-0.03441535 -0.00179059 -0.03507513
10.08796816 -9.13684912 -1.51978829
0.00019599 -0.00001503 -0.00024072
0.02060878 -0.01168488 0.01823185
-6.87277260 0.49088406 7.64997592
-0.00026318 0.00028284 0.00024426
-0.03367559 0.00850765 -0.01926892
18.78028489 11.67235856 6.38178846
0.00036727 -0.00014918 0.00018996
-0.00417811 0.01061895 -0.00615772
-3.33942152 -3.82289398 -23.25843309
-0.00006976 0.00040259 0.00018183
0.00085808 -0.00070125 0.00177086
-13.63604614 8.33871847 8.41869542
-0.00004208 0.00005438 0.00029701
-0.00205870 -0.00466325 -0.00424626
-12.19199574 7.41834315 -2.78142416
-0.00025204 -0.00013735 -0.00037824
-0.00868760 -0.03463490 -0.02075875
-3.44283619 -16.36970687 20.51482341
-0.00028062 -0.00019280 0.00023769
0.02751197 -0.00254743 -0.01242475
-3.45200706 7.00405933 -7.87908161
-0.00047288 0.00024706 0.00007519
-0.00779884 0.04304246 0.02363481
-20.67417922 29.64489540 1.32381979
0.00000584 0.00027184 -0.00003284
-0.04237698 0.01073897 0.00648100
9.87606881 3.11854611 7.45666025
0.00006644 -0.00023782 -0.00024622
-0.03910316 0.04719671 -0.00070012
6.38852581 14.59639460 -13.01026891
-0.00001770 0.00017816 0.00045391
-0.00454695 -0.07222733 0.02719308
14.12775547 3.73277239 -2.75448570
-0.00000262 -0.00016808 0.00023221
0.02105803 0.01384575 -0.04993010
-6.25838620 11.01550581 -0.36973443
0.00010547 -0.00027285 0.00020307
-0.02465367 0.00769600 -0.00907138
6.18020514 13.28621339 3.13244591
0.00014166 0.00031239 -0.00001123
0.05776674 -0.01840584 0.00796598
21.87805498 -12.18510410 -11.73232154
-0.00016603 0.00004914 -0.00019186
0.00305705 -0.01601072 -0.00543698
16.74439753 -6.33257105 3.39756071
0.00014010 0.00006811 0.00016259
0.04117597 0.03762445 -0.02538451
15.32947654 7.14503041 9.76267061
0.00008088 -0.00022971 -0.00032142
0.02126446 -0.02541425 -0.01739607
3.01023439 -13.75596807 16.35529449
-0.00006659 0.00023766 -0.00038925
0.01882850 -0.00851032 0.01418436
-3.57091318 -1.06127282 -10.84315081
0.00002887 -0.00026573 -0.00023015
-0.01069568 -0.00797404 0.01865394
15.35291084 -7.87041154 -9.49809312
-0.00001123 0.00018893 0.00012497
0.00356210 0.01588583 -0.04969299
9.05788477 -3.58291023 6.37306853
0.00052931 -0.00042269 -0.00012978
0.03669182 -0.01617380 0.00441884
-21.55463851 1.58744388 24.47746042
-0.00020049 0.00000490 -0.00009110
0.00842152 -0.00002763 -0.01152409
24.90820587 -1.74211529 -6.49172470
0.00000778 -0.00005330 -0.00006933
-0.00451958 0.00229135 -0.02306622
11.79478027 -11.85463862 -10.01893009
0.00032986 -0.00005709 -0.00001264
0.00228595 -0.00706972 0.00685990
-4.75878377 -10.34378124 16.58306841
0.00018863 -0.00024870 -0.00011708
-0.02704694 -0.00154742 -0.03011396
8.20013540 2.42149991 -30.78005995
0.00019102 0.00026634 -0.00051229
-0.01603045 0.00947103 0.01092346
10.93523308 17.03415951 14.68198346
0.00011484 -0.00027029 -0.00017291
0.00077542 0.02210626 -0.01442862
30.67563836 7.27024589 -7.54661766
-0.00002806 -0.00003545 0.00033147
-0.05880364 -0.00008780 0.01096161
5.75607937 -30.13554043 -5.18852629
-0.00037628 0.00052425 -0.00038540
-0.00852168 0.00254981 0.00041905
3.90682009 -30.80627424 -2.86867070
0.00022612 0.00063841 0.00043686
0.02230784 0.00441449 -0.01295526
-12.57061216 -1.76283317 -13.36251767
-0.00042312 -0.00007953 0.00039772
-0.00097641 -0.01435188 -0.00258759
-11.66569787 0.70070753 -12.39894821
-0.00014129 0.00033539 0.00061558
0.00209483 0.02970570 -0.01535315
-38.13789611 4.02270670 2.41395487
0.00033495 -0.00007209 0.00112370
0.01960320 -0.01765546 0.01091615
-39.67862084 1.94991830 3.32789415
0.00028401 0.00003911 0.00022335
0.00158701 -0.01792725 0.00653142
-9.82343303 -3.45346722 0.81990745
-0.00049856 -0.00029846 0.00040470
-0.00715290 0.00324360 -0.00520028
-8.55948874 -3.42968823 3.39053978
-0.00108845 0.00036246 -0.00018531
0.04925446 -0.02539154 0.02617156
0.18069614 -0.67294797 7.25496543
0.00030246 -0.00053320 -0.00111308
0.01394880 0.01169244 0.00674255
1.91797588 1.15623738 8.98957803
-0.00037850 -0.00010651 -0.00010274
0.00115007 0.00172367 -0.00873657
-32.34678210 1.00266041 2.31773162
-0.00081359 -0.00010823 -0.00100958
-0.00879070 -0.02356945 0.00276881
-34.16796384 3.37676313 1.87279020
-0.00025099 0.00056147 -0.00089744
0.02578089 -0.02084163 0.00079907
12.68710775 12.77970749 -15.40356777
0.00025760 0.00094268 0.00046048
0.02948094 0.02594178 0.02220877
15.50121742 12.77845472 -14.81124527
0.00056463 -0.00030504 0.00131871
0.02528858 -0.01220558 -0.00849001
-3.95058828 8.80177035 4.56058781
0.00010252 -0.00010129 -0.00105854
-0.00145910 0.00327848 0.00147758
-3.64013134 6.96388020 2.36663379
-0.00013586 0.00049540 -0.00057495
0.02306354 -0.00882608 -0.05888934
6.12223736 15.80771945 -10.09398277
0.00019004 -0.00069381 0.00027869
-0.00799980 0.01837834 0.02334505
7.62602243 16.94278439 -7.87474607
0.00024769 0.00030502 0.00056857
-0.00635284 0.00134090 -0.00027551
7.73302692 7.20923614 -22.63210435
-0.00088202 0.00032296 0.00054554
0.00108093 0.00377128 0.01011824
7.83884033 8.03555563 -19.74647007
-0.00037225 0.00123047 -0.00061751
0.00869035 0.00421559 -0.00458364
21.67800315 17.78824807 -2.48524106
-0.00050870 -0.00039160 -0.00031449
0.00048864 -0.00373108 0.00505796
24.50212357 17.84530857 -3.33547254
-0.00070607 -0.00056274 0.00015462
0.00312368 0.00830314 -0.01011554
1.18838560 11.17508131 -21.38196381
-0.00044558 -0.00058770 0.00057784
-0.00032299 -0.00469790 0.00893661
0.62848515 13.80973730 -22.28565041
-0.00004645 -0.00033963 -0.00004941
-0.00059247 0.01727691 -0.00467487
9.84222318 -5.13943745 -1.67108062
0.00025387 0.00038837 -0.00025165
-0.02480720 -0.08627106 0.00196234
9.44478785 -2.68925639 -2.91760988
0.00109495 -0.00050180 -0.00163932
-0.00757030 0.00851295 -0.00327819
-18.77000331 -4.12392144 5.27618183
0.00048775 -0.00059820 0.00003724
-0.00932905 -0.02035829 0.00486863
-17.14593989 -3.10646567 3.09394439
-0.00049317 -0.00062698 -0.00043608
-0.00947698 -0.00199530 0.00235466
-15.41331709 0.30901136 16.76256705
0.00006444 0.00050168 -0.00037814
-0.00107979 0.00022000 -0.00800385
-13.74134547 1.03470108 18.93761738
0.00035705 0.00008184 0.00014305
-0.00838836 0.00088112 0.00325836
3.10410493 3.88763895 -4.27237274
-0.00001697 0.00081586 0.00057196
0.00256944 -0.01249132 0.00554555
3.25198056 1.05003039 -3.11969112
0.00004507 -0.00014777 -0.00015611
0.00857403 0.01982040 -0.01049548
23.07199068 -9.62519932 -10.36403816
0.00084040 -0.00099084 -0.00034277
0.00514632 0.01565043 0.00548315
24.93463983 -7.91483561 -8.59889432
-0.00034252 -0.00032407 -0.00046985
-0.01027594 0.00028894 -0.01103961
2.42506412 -9.04458686 5.64594556
-0.00009776 -0.00043151 0.00108510
-0.00545652 0.00589559 -0.01002099
2.48428495 -8.21908845 8.32039317
-0.00094575 -0.00062019 0.00052569
-0.02149109 0.01896663 -0.02394819
-3.59115832 -2.89009807 -17.76897566
0.00089344 0.00053506 -0.00069533
-0.00767007 0.03081802 -0.00083798
-5.04614980 -0.36365109 -17.02985732
-0.00010810 -0.00030361 -0.00030356
0.00232070 -0.00664676 0.00465887
1.97528841 4.74507167 -12.02307101
-0.00078598 0.00029718 0.00032831
0.02647905 -0.00350816 0.01932214
1.90464927 3.99896904 -9.25655625
-0.00107070 0.00108192 0.00002339
0.00617875 -0.00120916 -0.00067967
-0.98884324 16.36445760 13.17434124
0.00056350 -0.00046339 0.00014407
-0.00192543 -0.01119541 0.01760861
-2.50924204 17.16265470 15.76374790
0.00015741 -0.00023489 -0.00071717
0.00659062 -0.00538361 -0.00670786
-1.79683196 1.18070917 -5.58904667
-0.00060433 0.00011947 0.00026280
0.00349024 -0.01298120 0.02189820
-2.86776161 0.81883562 -8.34629012
-0.00004208 0.00039919 0.00129650
0.00322273 0.01834605 0.01700731
-8.23363541 -3.17270347 -4.78642490
0.00032843 0.00032929 0.00104271
0.01770036 0.02732168 0.00632275
-7.33354544 -0.33674400 -3.91780762
0.00007889 0.00001929 0.00019412
0.00113852 -0.02430045 -0.01044151
1.26549154 28.27189230 5.71870660
-0.00102182 -0.00031881 0.00065908
0.00056226 0.00266328 0.01205471
-1.42291505 28.36157142 6.62647677
0.00128369 -0.00060870 0.00017019
0.03003418 -0.00354871 0.01520443
8.38534245 -9.20333024 -2.13747731
-0.00001222 -0.00058843 0.00063994
-0.01623022 -0.00266351 -0.00181329
10.13240045 -9.99601191 0.16429442
0.00012624 0.00031992 0.00022085
0.00208644 0.01477275 -0.02062834
-6.02261837 0.35730410 9.20193854
0.00053167 0.00054234 0.00053514
0.03454326 -0.00470853 0.02865948
-8.48014914 -0.19140788 8.21316645
-0.00013050 0.00022880 -0.00063852
-0.00504394 -0.00244875 -0.01033190
19.59606372 11.26753228 7.98283009
-0.00088770 0.00053007 -0.00009599
0.00602847 0.00448421 -0.00337283
19.49213046 13.28085446 5.75604950
-0.00004272 -0.00014284 0.00135105
-0.00126700 -0.01898184 0.01114384
-2.65188938 -2.35824288 -22.32625890
0.00004241 -0.00027523 -0.00124562
-0.02653225 -0.01109107 -0.01457735
-4.90635053 -3.54513025 -24.29428640
-0.00043881 -0.00001731 -0.00029265
0.01797894 0.01979634 0.01354000
-12.47687451 9.16900771 9.59941809
0.00008851 -0.00007146 0.00026951
0.00031376 -0.00084184 -0.00468082
-13.08459028 8.75564792 6.70253324
0.00057999 0.00048888 0.00033673
0.00387389 0.00608587 0.00921062
-12.73181719 7.31826847 -4.62431470
-0.00071375 -0.00012640 -0.00041244
0.00043554 0.00731138 0.01799899
-11.61793044 9.07209794 -2.48950064
-0.00082804 -0.00071045 0.00002290
0.00593756 0.03212969 0.00164476
-4.84138764 -17.34831199 19.86762303
-0.00114761 -0.00047696 -0.00094483
-0.01471842 -0.00360290 0.00311140
-2.03113889 -16.89124648 19.41256106
-0.00026130 0.00083790 -0.00070038
-0.01299205 0.00985022 0.01563697
-3.58501938 5.36705211 -7.02672822
0.00046240 -0.00028533 -0.00040000
0.00531314 0.00929377 -0.00208446
-3.83152892 8.52948052 -6.66001908
-0.00096527 0.00016468 0.00087296
0.00458199 -0.04130678 -0.02827634
-21.14633895 28.14785123 0.43906523
0.00020803 -0.00047573 0.00103656
-0.00747452 -0.01026233 -0.00393739
-18.92780919 29.52004271 1.41161471
0.00004746 0.00046009 -0.00135012
0.05178772 0.00191416 -0.00018952
8.47598447 2.58439227 6.28973803
-0.00020789 0.00089364 0.00138173
0.01773266 0.00413090 0.00927130
9.18681690 4.88446461 8.05207230
0.00009105 -0.00018628 0.00043631
0.01881323 -0.03840314 -0.01011073
7.16241579 15.43589883 -14.37758289
0.00081278 0.00198876 0.00056865
0.01691541 0.01209457 -0.02346526
6.78188850 12.68697229 -13.14595018
0.00136739 -0.00001496 0.00009522
-0.00657937 0.05545092 -0.00181727
13.21009498 5.20367581 -3.42068992
-0.00012598 -0.00092737 0.00091449
0.00063546 -0.01497917 0.01339513
13.30692950 3.17339702 -1.28754835
-0.00060268 -0.00090246 -0.00121436
-0.02072409 -0.00281230 0.03534955
-5.17993312 9.60425086 -0.18767746
0.00034852 0.00075740 -0.00113211
0.01706135 -0.01707728 -0.00158765
-7.93501704 10.21501816 -0.33807523
0.00077842 -0.00072314 -0.00066264
0.01255762 0.01272803 0.00684294
4.65648180 13.01465144 2.21508750
0.00013620 0.00081341 -0.00017606
-0.01160350 -0.00688223 -0.01692978
7.64967965 12.13150917 2.57389471
0.00076217 0.00019628 0.00018975
-0.04686556 0.02976544 0.01614304
21.01518764 -12.90868640 -10.29350415
0.00132027 -0.00002387 -0.00046477
-0.00783320 -0.00721664 0.00022534
22.36904015 -13.66570542 -12.84000528
0.00084195 0.00079255 0.00046621
-0.00239199 0.01897965 0.01013684
17.98128667 -5.97245672 1.97839964
-0.00029171 0.00006213 -0.00112896
-0.02764932 -0.00186971 0.01979679
16.35189528 -8.02865849 3.07694649
0.00056838 0.00029741 -0.00081886
-0.01385189 -0.03189516 -0.00319164
14.31694692 8.14189556 10.83470343
0.00053357 -0.00011228 -0.00047162
-0.02103058 0.02210664 0.01314143
16.65154380 6.56533691 10.89723663
0.00041843 -0.00020256 -0.00029717
-0.00171666 0.00243798 -0.00091153
1.88243858 -13.33192396 15.00155142
-0.00170717 -0.00072036 0.00042013
0.00019342 0.01221279 0.00431338
3.60470497 -12.31614373 17.39139914
0.00001918 -0.00014779 0.00055901
-0.01097217 -0.00695693 -0.02172003
-3.48198320 -2.74564235 -9.97162493
0.00008128 -0.00035203 0.00071241
0.00184120 0.01512449 -0.00662653
-1.95552347 -0.77670338 -11.66454798
-0.00070288 -0.00136868 0.00006556
0.01024910 -0.00148545 -0.00518156
15.13784032 -7.68166528 -11.45232803
0.00032496 -0.00044474 -0.00076127
-0.00818411 -0.01160500 0.04292974
16.98890351 -6.98455010 -9.19143586
0.00002449 -0.00028649 -0.00076568
-0.01078209 -0.00726616 0.00898446
7.56742246 -2.99212448 5.61500912
0.00007498 -0.00052869 -0.00000540
-0.03781770 0.01067276 -0.00875149
10.22502034 -3.74011678 4.92110722
0.00046264 -0.00125997 0.00106065
-0.00399249 0.00357168 0.00871128
-21.16941277 1.05830537 22.74453644
0.00098645 -0.00060447 -0.00018427
-0.00729204 0.00587782 0.01671511
-23.04446009 0.68480058 25.07816352
-0.00107509 -0.00003641 -0.00043956
0.00004395 -0.00105051 -0.00303933
25.66042970 -2.58656619 -7.97820369
0.00020315 0.00072121 -0.00003323
0.00111598 -0.00198988 0.01674636
23.65718524 -0.63450532 -7.25187412
0.00000652 -0.00033121 -0.00052096
0.00349293 -0.00294409 0.00476773
11.24698526 -13.02009128 -8.66340856
-0.00045587 0.00044740 -0.00042706
-0.00021282 0.02184602 -0.00849276
12.73159781 -10.35598236 -9.44665838
0.00031977 -0.00082549 -0.00036614
-0.00368637 -0.01564496 -0.00170808
-5.59861884 -10.37800750 18.17493329
-0.00061645 0.00007132 -0.00028998
0.00043083 -0.00424643 0.02759945
-6.22757483 -9.92931396 15.44275621
0.00070976 -0.00031172 0.00038286
0.03446720 -0.00347799 0.00768444
9.17941090 1.24796751 -31.76541205
0.00014249 0.00034244 0.00018358
-0.00276769 -0.01214394 -0.00516417
6.59513125 2.68586141 -31.65388044
0.00021135 0.00034776 -0.00143787
0.00720233 -0.00345409 -0.00203451
11.40667595 18.03488213 13.15317452
0.00007056 -0.00061152 -0.00084548
-0.00426634 -0.01649313 0.02000538
11.87837376 15.47886836 14.62017768
0.00027752 -0.00096324 -0.00036710
0.00629488 0.00362133 -0.00702923
30.86693209 5.44920641 -7.87941561
0.00067274 -0.00021442 0.00023607
0.00144325 -0.00212314 -0.00530790
28.69005135 7.44166910 -7.42150538
-0.00030499 -0.00048338 -0.00035843
0.05654344 0.00258864 -0.00244635
-8.41241402 4.84048991 5.64763278
0.00005622 -0.00007611 0.00003046
0.00718350 0.00494142 0.00264936
-10.73570474 10.14247745 3.38345112
0.00003186 -0.00002506 -0.00010152
-0.00535637 -0.00562598 0.00639474
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08390022
0.31725563
422.72722042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3284473931 (a.u.)
total exchange computation time: 2.7886710167 s
-153.9540867253
-931.40167259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3283881144 (a.u.)
total exchange computation time: 2.7890219688 s
-153.9552571450
Anderson extrapolation: theta=1.3378769133 (1.3378769133)
-931.40192941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3282531647 (a.u.)
total exchange computation time: 2.7904801369 s
-153.9571333909
Anderson extrapolation: theta=0.0496017644 (0.0496017644)
-931.40208143
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3281960853 (a.u.)
total exchange computation time: 2.7909970284 s
-153.9575758762
Anderson extrapolation: theta=1.8988290572 (1.8988290572)
-931.40208691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3280649321 (a.u.)
total exchange computation time: 2.7913870811 s
-153.9585320742
Anderson extrapolation: theta=0.2191625475 (0.2191625475)
-931.40209271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3280266079 (a.u.)
total exchange computation time: 2.7917859554 s
-153.9587617151
Anderson extrapolation: theta=1.8933965680 (1.8933965680)
-931.40209384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3279658353 (a.u.)
total exchange computation time: 2.7891209126 s
-153.9590660186
Anderson extrapolation: theta=0.2845884247 (0.2845884247)
-931.40209531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3279617823 (a.u.)
total exchange computation time: 2.7916419506 s
-153.9590218162
Anderson extrapolation: theta=1.2939371771 (1.2939371771)
-931.40209568
-211.897628 76.829203 -36.440587
566.412974 1066.350874 -418.705788
354.515346 1143.180078 -455.146375
1280.507729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3279672196 (a.u.)
total exchange computation time: 2.7913258076 s
678.21367823
-1082.40741205
89.80580255
-389.99169214
-174.69450535
77.52107575
551.60419304
0.00000000
-931.40209597
5.48043840 -31.28344867 -3.77023254
-0.00033450 -0.00025898 0.00008065
-0.02011230 0.00107002 0.00406624
-11.86893945 -0.97753239 -11.83136026
-0.00004747 0.00013511 -0.00001254
0.00918701 -0.01997626 0.01849488
-37.87719414 2.33871239 3.28123373
0.00009746 0.00023451 -0.00030852
-0.02103583 0.03254478 -0.01260960
-9.87102482 -2.72560292 2.49476794
-0.00043486 0.00018148 0.00008488
-0.03546359 0.03098816 -0.00868076
0.83273643 -0.29273717 8.94241225
0.00030612 -0.00018144 0.00008521
-0.01833906 -0.02016336 -0.00739831
-32.39954690 2.72713505 1.80033172
0.00006855 -0.00006934 0.00003190
-0.01870630 0.03912741 -0.00424554
14.06011266 13.78653611 -14.47132879
0.00011335 0.00020778 -0.00039984
-0.04532223 -0.01108054 -0.01335583
-4.20286158 7.05716694 3.99671151
-0.00052996 -0.00014660 -0.00002154
-0.01714836 -0.00082523 0.05599444
5.84746893 16.70200243 -8.38087241
0.00021757 -0.00007692 0.00025009
0.01546130 -0.02155751 -0.02110929
6.76878426 7.27962712 -21.01707061
-0.00013662 0.00015403 0.00003230
-0.01261119 -0.01339791 -0.00260375
23.35850767 17.11025451 -2.14497076
-0.00010527 -0.00002802 0.00024980
0.00054513 -0.01027654 0.00550486
1.41503034 12.94156613 -20.90416809
0.00010214 0.00015535 0.00024615
-0.00255981 -0.02214999 -0.00817538
10.43182731 -3.54776486 -1.66632984
0.00008967 0.00012719 0.00003156
0.02539723 0.07119813 -0.01315052
-17.82628831 -2.69253737 4.74539439
0.00019338 0.00004038 0.00018136
0.01156609 0.01335263 -0.01489919
-15.28191699 0.11272718 18.56234152
0.00006290 -0.00014509 -0.00011926
0.02268376 -0.00365790 0.00112326
2.65899817 2.78647350 -2.87261307
-0.00044793 0.00015182 0.00019613
-0.01733669 -0.00095317 0.00534650
23.44337528 -7.89950878 -9.69106880
0.00015736 -0.00008849 -0.00014919
0.00713122 -0.01517370 -0.00251803
1.50473897 -7.88645859 6.71997356
0.00032224 0.00014735 0.00009093
0.02305759 -0.01068701 0.03133876
-3.64013673 -1.01667564 -18.04060286
0.00035143 0.00030451 0.00033969
0.01474941 -0.02646095 -0.00480066
3.14999255 4.25894779 -10.57977084
-0.00021391 -0.00007827 0.00027527
-0.03768671 0.00406864 -0.01791356
-2.62735971 16.82940875 13.97727412
-0.00008160 0.00008512 0.00023850
-0.00446483 0.01297263 -0.02047654
-2.27301634 2.11303720 -7.02187461
-0.00001879 0.00002496 -0.00005829
-0.00657581 -0.00471606 -0.03371542
-6.75070248 -2.03152251 -4.49703979
-0.00028434 -0.00007695 -0.00019544
-0.01693096 -0.00027211 0.00516247
0.37514976 28.29048034 7.35341703
-0.00009230 0.00016395 -0.00006370
-0.03162336 -0.00246506 -0.02721268
10.09098747 -9.13711970 -1.52332878
0.00020647 -0.00002121 -0.00023095
0.02014997 -0.01233314 0.01976919
-6.87685020 0.49515950 7.65356550
-0.00027901 0.00028743 0.00023524
-0.02788357 0.00931890 -0.01580810
18.78577790 11.67016176 6.38461411
0.00036408 -0.00014397 0.00018582
-0.00826338 0.00965281 -0.00992727
-3.34046465 -3.81685786 -23.25569884
-0.00007072 0.00040052 0.00018122
-0.00456799 -0.00732591 -0.00414811
-13.63668532 8.33951611 8.42313418
-0.00004288 0.00005217 0.00029446
-0.00104743 -0.00391083 -0.00565962
-12.19580979 7.41614932 -2.78717779
-0.00025695 -0.00015651 -0.00038914
-0.01042805 -0.03988636 -0.02162128
-3.44693933 -16.37260871 20.51834088
-0.00026800 -0.00019534 0.00023015
0.02157261 -0.00732465 -0.01689843
-3.45913037 7.00793132 -7.87786254
-0.00047695 0.00026910 0.00008774
-0.00803846 0.04263218 0.02515098
-20.67425511 29.64901446 1.32335220
-0.00001573 0.00027711 -0.00002956
-0.04147940 0.00975998 0.00628647
9.87691462 3.11516089 7.45296420
0.00004728 -0.00021270 -0.00024531
-0.03542750 0.05049218 0.00425095
6.38824271 14.59878837 -13.00335534
-0.00001873 0.00014189 0.00046588
0.00056523 -0.06880093 0.01933478
14.12779733 3.73030464 -2.75119519
0.00000940 -0.00016153 0.00020601
0.02570913 0.01161387 -0.05195803
-6.25689921 11.01144275 -0.36672344
0.00009244 -0.00026724 0.00019819
-0.02600963 0.01412515 -0.00989271
6.18255288 13.29082824 3.13230819
0.00017162 0.00030277 -0.00000719
0.05874124 -0.01900966 0.00773396
21.87557625 -12.18442881 -11.73522039
-0.00016369 0.00004225 -0.00019531
0.00605307 -0.01075460 -0.00798713
16.74665785 -6.33140432 3.39990165
0.00016178 0.00008758 0.00014872
0.04311533 0.03809354 -0.02857175
15.33077183 7.14148670 9.75778223
0.00009240 -0.00024317 -0.00033036
0.02352913 -0.02692537 -0.01735852
3.00930811 -13.75243596 16.34951039
-0.00005694 0.00023328 -0.00038209
0.01869463 -0.00851499 0.01365927
-3.57052140 -1.06528952 -10.84653114
0.00002200 -0.00027079 -0.00021950
-0.01603356 -0.01172234 0.02276152
15.35275608 -7.86751636 -9.49641030
-0.00000977 0.00019677 0.00009844
0.00214047 0.01461097 -0.05347670
9.06596593 -3.58931291 6.37113889
0.00054646 -0.00043072 -0.00012641
0.03001008 -0.01507005 0.00869836
-21.55761331 1.58751727 24.47604943
-0.00019677 0.00000417 -0.00009740
0.00602139 -0.00280870 -0.01297310
24.90830521 -1.74290602 -6.49285356
0.00000519 -0.00005183 -0.00008092
-0.00558095 0.00342290 -0.02200865
11.79973694 -11.85552217 -10.01909323
0.00033051 -0.00006136 -0.00001009
0.00026677 -0.00956769 0.00306900
-4.75605864 -10.34751764 16.58119612
0.00017519 -0.00024977 -0.00013125
-0.02523816 -0.00261864 -0.02498889
8.20293887 2.42553155 -30.78770216
0.00018167 0.00027186 -0.00050663
-0.02033792 0.01199697 0.01107386
10.93695874 17.03019044 14.67933408
0.00011606 -0.00025987 -0.00018078
0.00396160 0.01842259 -0.01615197
30.67499069 7.26971386 -7.54160335
-0.00005828 -0.00003592 0.00033685
-0.05872269 -0.00176996 0.00995839
5.75017405 -30.12759859 -5.19429442
-0.00041196 0.00052714 -0.00037509
-0.00894581 -0.00113554 0.00462481
3.91089551 -30.79656287 -2.86251473
0.00031556 0.00065577 0.00038488
0.02147042 0.00408333 -0.01249200
-12.57698889 -1.76446595 -13.35663110
-0.00042643 -0.00013670 0.00038640
-0.00064239 -0.01363316 -0.00295534
-11.66775298 0.70664861 -12.39018503
-0.00013295 0.00045463 0.00055187
0.00198484 0.02866372 -0.01583250
-38.13227119 4.02108434 2.43114492
0.00041283 -0.00013577 0.00116290
0.01852246 -0.01351847 0.00827267
-39.67431206 1.94995565 3.33144455
0.00028913 -0.00003409 0.00024934
0.00091738 -0.01790397 0.00618953
-9.83113061 -3.45784473 0.82581854
-0.00052772 -0.00028534 0.00038219
-0.00711942 0.00317790 -0.00581700
-8.57430623 -3.42502945 3.38856205
-0.00087729 0.00025386 -0.00007105
0.05410954 -0.02776739 0.02976218
0.18566050 -0.68058769 7.23847592
0.00036457 -0.00048210 -0.00107021
0.01645478 0.01331920 0.01423927
1.91233368 1.15469251 8.98776921
-0.00037009 -0.00009462 -0.00013830
0.00296259 0.00409754 -0.00866882
-32.35925526 1.00031474 2.30267281
-0.00084967 -0.00020829 -0.00099671
-0.00887434 -0.02541314 0.00352744
-34.17093865 3.38454657 1.85935308
-0.00014059 0.00047418 -0.00089360
0.02825980 -0.02188829 0.00107846
12.69187515 12.79464265 -15.39598002
0.00037274 0.00104257 0.00054597
0.02688276 0.02295520 0.01963980
15.51046174 12.77350509 -14.79172477
0.00066105 -0.00035225 0.00128355
0.02191211 -0.01090501 -0.00871998
-3.94909518 8.80035151 4.54475503
0.00009589 -0.00008669 -0.00104936
-0.00178853 0.00386783 0.00301393
-3.64146257 6.97104070 2.35620503
-0.00004737 0.00045845 -0.00080109
0.02025546 -0.00926107 -0.05181120
6.12484289 15.79787541 -10.08908705
0.00015803 -0.00061759 0.00037518
-0.00767369 0.01893550 0.02388515
7.62954319 16.94740072 -7.86622595
0.00021992 0.00030953 0.00056582
-0.00724560 0.00086948 -0.00106894
7.71982970 7.21419616 -22.62361124
-0.00087288 0.00033756 0.00057826
0.00339469 0.00337151 0.00589897
7.83352282 8.05414191 -19.75587320
-0.00033584 0.00124837 -0.00063427
0.00913496 0.00454286 -0.00362130
21.67038767 17.78225968 -2.48980348
-0.00050247 -0.00040874 -0.00029231
0.00255939 -0.00465930 0.00579984
24.49162826 17.83712192 -3.33346328
-0.00068716 -0.00052542 0.00010743
0.00613330 0.00996347 -0.01298276
1.18169203 11.16612178 -21.37302230
-0.00044518 -0.00059725 0.00061685
0.00051922 0.00002731 0.01015469
0.62777020 13.80517224 -22.28653488
-0.00004833 -0.00026966 -0.00006761
-0.00032669 0.01697343 -0.00423075
9.84527108 -5.13625558 -1.67479521
0.00015147 0.00003220 -0.00024368
-0.02532107 -0.08807314 0.00193943
9.46098009 -2.69652257 -2.94230020
0.00106731 -0.00046950 -0.00164862
-0.00595881 0.00730134 -0.00127319
-18.76297287 -4.13351824 5.27688964
0.00045214 -0.00067636 0.00005686
-0.00810650 -0.01790411 0.00473362
-17.15362785 -3.11593147 3.08747536
-0.00053314 -0.00063225 -0.00042077
-0.01008729 -0.00058684 0.00513865
-15.41238359 0.31654336 16.75664967
0.00006044 0.00050215 -0.00040548
-0.00087837 0.00000584 -0.00537789
-13.73624669 1.03595573 18.93986291
0.00031750 0.00008218 0.00015515
-0.01097500 -0.00071472 0.00266767
3.10392912 3.89949416 -4.26362340
-0.00000702 0.00076286 0.00059647
0.00230230 -0.01345546 0.00645143
3.25291939 1.04842114 -3.12235438
0.00007814 -0.00006065 -0.00019822
0.00761158 0.02282758 -0.01011651
23.08475442 -9.63958238 -10.36901175
0.00086106 -0.00091895 -0.00031815
0.00496452 0.01954084 0.00657258
24.92918718 -7.91968787 -8.60628033
-0.00037690 -0.00032181 -0.00050907
-0.00655492 0.00081890 -0.00816054
2.42343050 -9.05087889 5.66191500
-0.00011661 -0.00041144 0.00103922
-0.00376797 0.00392890 -0.01243638
2.46944014 -8.22781012 8.32754468
-0.00103166 -0.00054181 0.00042975
-0.02056038 0.01939992 -0.02301386
-3.57799173 -2.88112775 -17.77943124
0.00086164 0.00065595 -0.00069745
-0.00789943 0.02835479 -0.00020046
-5.04770015 -0.36840891 -17.03426796
-0.00010077 -0.00032963 -0.00028247
0.00126730 -0.00608880 0.00566448
1.96431007 4.74942189 -12.01755431
-0.00067406 0.00028143 0.00040805
0.02830972 -0.00420082 0.01971020
1.88877812 4.01516085 -9.25622629
-0.00104181 0.00107626 0.00001999
0.00796195 -0.00156219 -0.00098336
-0.98044971 16.35716374 13.17704185
0.00054806 -0.00050718 0.00021856
-0.00563211 -0.01024344 0.01885610
-2.50667887 17.15896635 15.75278477
0.00018477 -0.00025389 -0.00072831
0.00680036 -0.00391614 0.00125568
-1.80578989 1.18210337 -5.58443362
-0.00059021 0.00006827 0.00035139
0.00341713 -0.01207883 0.02146658
-2.86829406 0.82538560 -8.32632146
-0.00003178 0.00046814 0.00135750
0.00181946 0.01540621 0.01285238
-8.22816656 -3.16692690 -4.77059049
0.00039133 0.00043355 0.00106586
0.01308943 0.02371279 0.00500830
-7.33232723 -0.33719932 -3.91521583
0.00008377 -0.00008075 0.00015120
0.00125022 -0.02466816 -0.01056807
1.25018154 28.26719169 5.72896223
-0.00100914 -0.00030814 0.00069531
0.00564183 0.00256076 0.00567891
-1.40273942 28.35233221 6.62949559
0.00139094 -0.00062179 0.00022969
0.02246603 -0.00286022 0.01392125
8.38466178 -9.21223825 -2.12793376
-0.00007892 -0.00059842 0.00063100
-0.01641950 -0.00223016 -0.00256323
10.13435799 -9.99076049 0.16697508
0.00013612 0.00038099 0.00013453
0.00274848 0.01512474 -0.02162478
-6.01358475 0.36529499 9.21084390
0.00066429 0.00052285 0.00064112
0.03037112 -0.00483365 0.02321481
-8.48226126 -0.18805099 8.20327200
-0.00015410 0.00021699 -0.00067720
-0.00650880 -0.00332994 -0.00859874
19.58293296 11.27562070 7.98128683
-0.00085747 0.00054387 -0.00009810
0.00877090 0.00227131 0.00234283
19.49145086 13.27813015 5.77665675
-0.00004542 -0.00021335 0.00139221
-0.00005712 -0.01553351 0.00900245
-2.65206627 -2.36271122 -22.34538997
-0.00005972 -0.00030660 -0.00129630
-0.02346105 -0.00426312 -0.01023066
-4.91238180 -3.54478335 -24.29826118
-0.00036061 0.00006331 -0.00023461
0.02030014 0.01966835 0.01486908
-12.47553730 9.16790997 9.60331731
0.00008942 -0.00007520 0.00025094
0.00013273 -0.00098714 -0.00441055
-13.07577175 8.76316757 6.70786647
0.00059416 0.00051227 0.00037638
0.00306448 0.00536312 0.01019515
-12.74251004 7.31659658 -4.62994971
-0.00071107 -0.00009589 -0.00033804
0.00087296 0.00762308 0.01841647
-11.63016912 9.06242569 -2.48910675
-0.00080027 -0.00056919 0.00003119
0.00765741 0.03701861 0.00241132
-4.85905276 -17.35557676 19.85354599
-0.00119345 -0.00048195 -0.00092488
-0.00772348 0.00116068 0.00664996
-2.03545648 -16.87837614 19.40253453
-0.00031667 0.00087841 -0.00063413
-0.01411161 0.00997799 0.01679366
-3.57792064 5.36305696 -7.03279209
0.00048363 -0.00024499 -0.00040923
0.00508238 0.01045252 -0.00243211
-3.84586762 8.53068490 -6.64779119
-0.00094520 -0.00000576 0.00075483
0.00524516 -0.04212420 -0.02954663
-21.14344750 28.14040085 0.45449295
0.00017635 -0.00051703 0.00102094
-0.00803350 -0.00995504 -0.00370579
-18.92551032 29.52700274 1.39135713
0.00025802 0.00046905 -0.00135073
0.05128054 0.00247240 -0.00011016
8.47340949 2.59792344 6.31074805
-0.00014409 0.00090445 0.00140997
0.01349750 0.00116190 0.00455386
9.18875913 4.88049370 8.05830706
0.00016942 -0.00034339 0.00039459
0.01955235 -0.03850338 -0.01031140
7.17512588 15.46610086 -14.36977212
0.00087335 0.00202769 0.00048904
0.01273424 0.00696267 -0.01550458
6.80219772 12.68844708 -13.14457754
0.00133888 0.00021517 0.00008767
-0.00737385 0.05720147 -0.00188041
13.20822481 5.18930624 -3.40656218
-0.00012867 -0.00097849 0.00096335
-0.00195292 -0.01004273 0.01052417
13.29725431 3.15977389 -1.30468047
-0.00069141 -0.00091879 -0.00106029
-0.02271096 -0.00517964 0.04006728
-5.17418244 9.61508857 -0.20470770
0.00042700 0.00067695 -0.00113761
0.02135286 -0.02230234 -0.00110581
-7.92295597 10.20456109 -0.34780507
0.00082365 -0.00067365 -0.00063424
0.00958582 0.01149743 0.00705441
4.65816929 13.02664166 2.21192780
0.00008986 0.00078468 -0.00024499
-0.01108096 -0.00717931 -0.01680938
7.65967603 12.13536548 2.57723563
0.00056767 0.00031956 0.00025598
-0.04834167 0.03057939 0.01627854
21.03475173 -12.90926553 -10.30046876
0.00128123 -0.00005823 -0.00045279
-0.01127735 -0.00960442 0.00563746
22.38159607 -13.65323553 -12.83270147
0.00083311 0.00086474 0.00050275
-0.00193226 0.01635550 0.00774691
17.97606372 -5.97158206 1.96207189
-0.00040734 0.00005545 -0.00104218
-0.02895201 -0.00140259 0.02268128
16.35999646 -8.02517465 3.06456576
0.00051055 0.00016530 -0.00083101
-0.01445557 -0.03277783 -0.00275396
14.32430600 8.14088874 10.82803186
0.00044565 -0.00002014 -0.00041549
-0.02200837 0.02299565 0.01433137
16.65776764 6.56237329 10.89275113
0.00040860 -0.00019140 -0.00030309
-0.00309566 0.00302260 -0.00198467
1.85683700 -13.34235508 15.00798558
-0.00170384 -0.00066974 0.00044172
0.00143644 0.01256218 0.00625251
3.60465644 -12.31857384 17.39911868
-0.00002786 -0.00017683 0.00046760
-0.01205519 -0.00725682 -0.02302268
-3.48070764 -2.75045931 -9.96114179
0.00008776 -0.00028604 0.00068273
0.00133503 0.01717972 -0.00790187
-1.96575263 -0.79727916 -11.66372332
-0.00064986 -0.00137169 0.00003856
0.01570380 0.00001560 -0.00803440
15.14246399 -7.68869206 -11.46243156
0.00029052 -0.00049168 -0.00058021
-0.00867574 -0.01137254 0.04569779
16.98894051 -6.98907016 -9.20264579
-0.00001651 -0.00031410 -0.00072706
-0.00928949 -0.00624511 0.00992159
7.56738831 -2.99972778 5.61465991
-0.00007308 -0.00048729 -0.00003991
-0.03465866 0.00959230 -0.00813944
10.23183753 -3.75890681 4.93728397
0.00045167 -0.00124556 0.00108680
-0.00137339 0.00348154 0.00408596
-21.15483948 1.04941838 22.74228460
0.00095441 -0.00057852 -0.00010984
-0.00839213 0.00682449 0.01971729
-23.06058508 0.68422222 25.07147699
-0.00106796 -0.00003680 -0.00045484
0.00344545 0.00086110 -0.00444095
25.66351119 -2.57580896 -7.97818903
0.00020997 0.00071016 0.00003218
0.00222352 -0.00341890 0.01527491
23.65739009 -0.63956366 -7.25954245
0.00002047 -0.00034263 -0.00050061
0.00333377 -0.00264921 0.00519281
11.24014065 -13.01271091 -8.67007471
-0.00045772 0.00053298 -0.00045734
-0.00069038 0.02004870 -0.00633079
12.73628133 -10.36884408 -9.45220284
0.00030952 -0.00088071 -0.00036940
-0.00132861 -0.01138849 0.00011188
-5.60785241 -10.37706787 18.17142931
-0.00061159 0.00005395 -0.00018026
0.00194988 -0.00425481 0.02611057
-6.21587227 -9.93409640 15.44873456
0.00084370 -0.00032375 0.00040711
0.03109931 -0.00240866 0.00418630
9.18146350 1.25273205 -31.76281657
0.00013507 0.00028836 0.00015932
-0.00086597 -0.01432899 -0.00671424
6.59852219 2.69097204 -31.67551087
0.00024556 0.00033306 -0.00144246
0.00954415 -0.00374522 -0.00021236
11.40760357 18.02520389 13.14110542
0.00005226 -0.00068028 -0.00076043
-0.00469059 -0.01716548 0.02162307
11.88272950 15.46453074 14.61445579
0.00029763 -0.00093915 -0.00039523
0.00354534 0.00817280 -0.00674269
30.87706745 5.44592500 -7.87603722
0.00067746 -0.00021964 0.00021486
0.00086597 -0.00043196 -0.00507305
28.68720918 7.43449769 -7.42695674
-0.00007340 -0.00047257 -0.00036786
0.05682309 0.00270316 -0.00217267
-8.41155149 4.83936147 5.64809679
0.00005879 -0.00007437 0.00003138
0.00719001 0.00480826 0.00246921
-10.73523617 10.14209181 3.38193944
0.00003059 -0.00002635 -0.00010003
-0.00559438 -0.00555402 0.00644508
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08392879
0.31816719
423.94182667
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3344230433 (a.u.)
total exchange computation time: 2.7250399590 s
-153.9760021975
-931.40389344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3343132473 (a.u.)
total exchange computation time: 2.7256348133 s
-153.9775976796
Anderson extrapolation: theta=1.3374312735 (1.3374312735)
-931.40414779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3341081052 (a.u.)
total exchange computation time: 2.7257370949 s
-153.9800602872
Anderson extrapolation: theta=0.0496906477 (0.0496906477)
-931.40429828
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3340458279 (a.u.)
total exchange computation time: 2.7247090340 s
-153.9805433774
Anderson extrapolation: theta=1.9036826579 (1.9036826579)
-931.40430374
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3339044622 (a.u.)
total exchange computation time: 2.7235181332 s
-153.9815794173
Anderson extrapolation: theta=0.2200272018 (0.2200272018)
-931.40430953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3338640318 (a.u.)
total exchange computation time: 2.7240869999 s
-153.9818255038
Anderson extrapolation: theta=1.8932377145 (1.8932377145)
-931.40431066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3337999583 (a.u.)
total exchange computation time: 2.7251541615 s
-153.9821553868
Anderson extrapolation: theta=0.2844785173 (0.2844785173)
-931.40431213
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3337956157 (a.u.)
total exchange computation time: 2.7257311344 s
-153.9821131221
Anderson extrapolation: theta=1.2912159863 (1.2912159863)
-931.40431248
-211.905420 76.779892 -36.420182
566.425448 1066.341464 -418.710108
354.520027 1143.121357 -455.130291
1280.450884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3338011557 (a.u.)
total exchange computation time: 2.7252171040 s
678.29090719
-1082.59389535
89.80766298
-389.86573918
-174.70944725
77.62517464
551.60419304
0.00000000
-931.40431277
5.47534328 -31.28732923 -3.76900712
-0.00034440 -0.00025751 0.00008154
-0.01836389 0.00466207 -0.00059774
-11.86961603 -0.97558275 -11.83147703
-0.00004274 0.00012514 -0.00000300
0.00920459 -0.01882472 0.01862129
-37.87581338 2.34235559 3.27655730
0.00008702 0.00024994 -0.00031416
-0.01955008 0.02746693 -0.00931280
-9.87768454 -2.72276115 2.49600768
-0.00045364 0.00019774 0.00007999
-0.03754219 0.03224121 -0.01034511
0.83725747 -0.29553652 8.94366191
0.00029578 -0.00019272 0.00007969
-0.02188085 -0.02372040 -0.01409772
-32.39859079 2.72624595 1.80079383
0.00005851 -0.00004883 0.00002956
-0.02034229 0.04062040 -0.00487069
14.06163811 13.78961010 -14.47737792
0.00009212 0.00020248 -0.00040589
-0.03722466 -0.00953534 -0.01016471
-4.21087708 7.05496477 3.99660447
-0.00053778 -0.00014714 0.00000445
-0.01327214 -0.00126530 0.04504431
5.85079216 16.70076549 -8.37720254
0.00022562 -0.00008798 0.00023944
0.01581869 -0.02146601 -0.02028164
6.76668626 7.28188591 -21.01659610
-0.00014380 0.00014721 0.00003194
-0.01529545 -0.01311844 0.00118127
23.35693073 17.10979452 -2.14120255
-0.00010615 -0.00003344 0.00025309
-0.00398443 -0.01077758 0.00730710
1.41655255 12.94381091 -20.90050743
0.00010053 0.00014295 0.00024150
-0.00367992 -0.02605344 -0.00989558
10.43327026 -3.54558233 -1.66590717
0.00010197 0.00016340 0.00002419
0.02246413 0.06958713 -0.01550068
-17.82334297 -2.69188010 4.74805731
0.00019911 0.00004609 0.00017319
0.01071525 0.00882872 -0.01688176
-15.28088600 0.11053676 18.56055698
0.00007502 -0.00014651 -0.00011929
0.02444998 -0.00188007 -0.00126020
2.65221229 2.78874711 -2.86965050
-0.00045652 0.00015084 0.00019854
-0.01603386 -0.00286148 0.00403916
23.44576313 -7.90089460 -9.69331638
0.00015994 -0.00009723 -0.00015150
0.00292638 -0.01883655 -0.00645431
1.50966154 -7.88428959 6.72145836
0.00033333 0.00014232 0.00010719
0.02007660 -0.00887728 0.03191449
-3.63480842 -1.01221004 -18.03552607
0.00035928 0.00029162 0.00033685
0.01578223 -0.02365754 -0.00624038
3.14663847 4.25778950 -10.57571093
-0.00023402 -0.00007598 0.00026613
-0.04048112 0.00483215 -0.01762568
-2.62860094 16.83073565 13.98077270
-0.00008296 0.00009114 0.00022554
-0.00083316 0.01040757 -0.02992335
-2.27332357 2.11339335 -7.02287908
-0.00002159 0.00002316 -0.00007408
-0.00429974 -0.00225134 -0.02765174
-6.75503286 -2.03267780 -4.49995142
-0.00029163 -0.00007607 -0.00019243
-0.01144276 0.00367354 0.00652095
0.37364320 28.29293014 7.35235653
-0.00010758 0.00016253 -0.00007542
-0.02778362 -0.00306021 -0.01836165
10.09416222 -9.13748542 -1.52671675
0.00021653 -0.00002764 -0.00022061
0.01898629 -0.01267151 0.02044763
-6.88114291 0.49950684 7.65703312
-0.00029171 0.00029242 0.00022822
-0.02148402 0.01011354 -0.01149144
18.79120716 11.66803942 6.38736317
0.00035875 -0.00013938 0.00017977
-0.01243539 0.00820981 -0.01362214
-3.34154303 -3.81087827 -23.25299660
-0.00007448 0.00039485 0.00017753
-0.01008180 -0.01472343 -0.01020458
-13.63733257 8.34028358 8.42752928
-0.00004317 0.00005035 0.00029123
-0.00006011 -0.00317814 -0.00691021
-12.19970429 7.41364778 -2.79309822
-0.00026260 -0.00017799 -0.00040032
-0.01153244 -0.04362416 -0.02187582
-3.45087605 -16.37556705 20.52172799
-0.00025844 -0.00020020 0.00022043
0.01556697 -0.01156540 -0.02089586
-3.46631570 7.01213221 -7.87644944
-0.00048111 0.00029076 0.00010091
-0.00810767 0.04161958 0.02607640
-20.67465101 29.65320882 1.32293310
-0.00003628 0.00028176 -0.00002641
-0.03844105 0.00829006 0.00594972
9.87748711 3.11216521 7.44930094
0.00003024 -0.00018604 -0.00024183
-0.03082605 0.05317195 0.00929480
6.38796398 14.60065135 -12.99629260
-0.00001711 0.00010779 0.00047376
0.00571467 -0.06380437 0.01133042
14.12803753 3.72792648 -2.74830553
0.00002366 -0.00015640 0.00017928
0.02974704 0.00832236 -0.05198537
-6.25561288 11.00748867 -0.36378876
0.00007901 -0.00025851 0.00019296
-0.02621532 0.01981578 -0.01044145
6.18535379 13.29529645 3.13223014
0.00020164 0.00029299 -0.00000332
0.05799697 -0.01903396 0.00733013
21.87314422 -12.18383649 -11.73818087
-0.00015993 0.00003816 -0.00019996
0.00859479 -0.00514887 -0.01009357
16.74925081 -6.32994372 3.40202216
0.00018418 0.00010685 0.00013330
0.04399883 0.03684819 -0.03137736
15.33224863 7.13773528 9.75275993
0.00010484 -0.00025718 -0.00033909
0.02483011 -0.02756838 -0.01659442
3.00852605 -13.74896954 16.34383167
-0.00004748 0.00022885 -0.00037534
0.01810604 -0.00874154 0.01260768
-3.57025332 -1.06939666 -10.84973586
0.00001246 -0.00027763 -0.00020684
-0.02106037 -0.01484287 0.02646773
15.35261784 -7.86450847 -9.49514003
-0.00000907 0.00020389 0.00007019
0.00055861 0.01307484 -0.05635453
9.07427860 -3.59583185 6.36927635
0.00055980 -0.00043805 -0.00012088
0.02185346 -0.01344666 0.01279756
-21.56054166 1.58756900 24.47453835
-0.00019428 0.00000208 -0.00010432
0.00365103 -0.00533894 -0.01391175
24.90836149 -1.74367033 -6.49415222
0.00000205 -0.00004979 -0.00009186
-0.00660522 0.00453326 -0.02054467
11.80469567 -11.85647953 -10.01923269
0.00033012 -0.00006694 -0.00000960
-0.00180152 -0.01213174 -0.00116400
-4.75352821 -10.35127424 16.57913105
0.00016278 -0.00025143 -0.00014246
-0.02298699 -0.00386015 -0.01861898
8.20558544 2.42965574 -30.79525893
0.00017023 0.00027860 -0.00050094
-0.02414094 0.01419556 0.01107037
10.93871496 17.02636350 14.67656009
0.00011884 -0.00025140 -0.00018939
0.00683609 0.01452079 -0.01733202
30.67388999 7.26916817 -7.53651221
-0.00008820 -0.00003730 0.00034168
-0.05764807 -0.00357122 0.00883328
5.74372048 -30.11972634 -5.19977911
-0.00044913 0.00051536 -0.00034829
-0.00924537 -0.00463047 0.00849401
3.91628678 -30.78660126 -2.85712434
0.00040053 0.00067200 0.00033547
0.02012320 0.00386335 -0.01169395
-12.58340500 -1.76693425 -13.35092566
-0.00042818 -0.00019065 0.00037395
-0.00021576 -0.01277553 -0.00314019
-11.66968644 0.71434638 -12.38239216
-0.00012540 0.00056717 0.00048687
0.00171139 0.02642440 -0.01598380
-38.12551111 4.01863349 2.44884198
0.00048588 -0.00018111 0.00119078
0.01723270 -0.00867298 0.00537206
-39.66994705 1.94889573 3.33537428
0.00029169 -0.00010692 0.00027384
0.00033907 -0.01775076 0.00580272
-9.83926450 -3.46202747 0.83137313
-0.00055668 -0.00027245 0.00035741
-0.00705768 0.00313084 -0.00631271
-8.58580756 -3.42207242 3.38840833
-0.00065117 0.00013805 0.00005444
0.05658217 -0.02892256 0.03166573
0.19163332 -0.68741112 7.22285908
0.00043597 -0.00042493 -0.00099872
0.01849408 0.01466990 0.02075808
1.90687304 1.15339877 8.98542911
-0.00035465 -0.00007340 -0.00017346
0.00459908 0.00628972 -0.00854124
-32.37227230 0.99641160 2.28783018
-0.00088598 -0.00031379 -0.00098147
-0.00889803 -0.02622783 0.00393271
-34.17218153 3.39098856 1.84598206
-0.00002190 0.00038346 -0.00088857
0.02984117 -0.02251911 0.00138612
12.69829009 12.81098466 -15.38718862
0.00047526 0.00112889 0.00061978
0.02330156 0.01929671 0.01648890
15.52104897 12.76788714 -14.77273868
0.00074183 -0.00039281 0.00124767
0.01763097 -0.00894906 -0.00884724
-3.94771169 8.79916972 4.52910695
0.00008794 -0.00006989 -0.00103412
-0.00210246 0.00435255 0.00444501
-3.64155242 6.97763363 2.34260096
0.00002808 0.00041983 -0.00099380
0.01667723 -0.00964032 -0.04251774
6.12697813 15.78919186 -10.08272750
0.00012750 -0.00053969 0.00047280
-0.00726826 0.01919361 0.02390029
7.63261988 16.95207035 -7.85777135
0.00018888 0.00031216 0.00055995
-0.00794731 0.00041491 -0.00180566
7.70684052 7.21936281 -22.61475661
-0.00085406 0.00035045 0.00059301
0.00581608 0.00294016 0.00132252
7.82876516 8.07300660 -19.76549828
-0.00029798 0.00126740 -0.00064741
0.00939677 0.00477369 -0.00280837
21.66292905 17.77598574 -2.49401045
-0.00048802 -0.00042951 -0.00026713
0.00451306 -0.00550689 0.00652655
24.48150885 17.82954589 -3.33224968
-0.00065669 -0.00048178 0.00004919
0.00878097 0.01139945 -0.01552714
1.17503028 11.15716393 -21.36345844
-0.00044142 -0.00058806 0.00066044
0.00131820 0.00446914 0.01118407
0.62703523 13.80164742 -22.28767864
-0.00004874 -0.00020147 -0.00008338
0.00012642 0.01640888 -0.00349059
9.84676714 -5.13847137 -1.67839094
0.00005048 -0.00032169 -0.00023584
-0.02411355 -0.08516106 0.00189831
9.47680713 -2.70334127 -2.96706854
0.00104639 -0.00044254 -0.00164918
-0.00428299 0.00589461 0.00099964
-18.75643925 -4.14421232 5.27788756
0.00042224 -0.00074329 0.00007555
-0.00652950 -0.01485557 0.00441529
-17.16193402 -3.12543324 3.08132127
-0.00057528 -0.00063186 -0.00039471
-0.01054110 0.00077996 0.00761589
-15.41150393 0.32407572 16.75040270
0.00005733 0.00050166 -0.00042176
-0.00064293 -0.00024256 -0.00259193
-13.73182053 1.03716657 18.94227192
0.00026806 0.00007640 0.00016495
-0.01322624 -0.00211663 0.00212906
3.10389441 3.91052472 -4.25447868
0.00000192 0.00070644 0.00062424
0.00207496 -0.01416032 0.00714215
3.25432471 1.04821092 -3.12563764
0.00010750 0.00003765 -0.00023868
0.00676068 0.02528813 -0.00969244
23.09782242 -9.65276786 -10.37358254
0.00088064 -0.00083233 -0.00028949
0.00462006 0.02286291 0.00745234
24.92333280 -7.92448995 -8.61416646
-0.00039531 -0.00031745 -0.00053597
-0.00245842 0.00131688 -0.00500854
2.42156596 -9.05693012 5.67712226
-0.00012864 -0.00039937 0.00098377
-0.00212414 0.00198183 -0.01470834
2.45333526 -8.23534283 8.33328575
-0.00111292 -0.00046210 0.00033901
-0.01921784 0.01962209 -0.02140442
-3.56530926 -2.87041967 -17.78989910
0.00082913 0.00076504 -0.00069689
-0.00801314 0.02504816 0.00047227
-5.04917283 -0.37353989 -17.03833145
-0.00009763 -0.00035332 -0.00025743
0.00026989 -0.00550689 0.00659182
1.95506671 4.75351466 -12.01082965
-0.00055571 0.00026326 0.00048820
0.02962312 -0.00469727 0.01952549
1.87339493 4.03125692 -9.25595660
-0.00100581 0.00106909 0.00001550
0.00965974 -0.00194744 -0.00121224
-0.97240134 16.34924210 13.18089807
0.00051810 -0.00054718 0.00029762
-0.00903407 -0.00933655 0.01984153
-2.50369893 17.15503799 15.74189861
0.00021300 -0.00026681 -0.00070626
0.00701939 -0.00240654 0.00953808
-1.81453841 1.18275731 -5.57850497
-0.00057695 0.00002194 0.00043640
0.00307609 -0.01060030 0.02014841
-2.86871499 0.83287976 -8.30556514
-0.00002787 0.00052372 0.00140037
0.00009551 0.01180283 0.00813235
-8.22189551 -3.15969707 -4.75444915
0.00043389 0.00052169 0.00108356
0.00774173 0.01943399 0.00365604
-7.33103240 -0.33916646 -3.91327171
0.00008880 -0.00018102 0.00010817
0.00121428 -0.02441663 -0.01049229
1.23521730 28.26264803 5.73956589
-0.00097523 -0.00029800 0.00070447
0.01095669 0.00240373 -0.00119429
-1.38118693 28.34291771 6.63336760
0.00146465 -0.00063214 0.00028291
0.01361834 -0.00220488 0.01212939
8.38297482 -9.22128294 -2.11854729
-0.00014510 -0.00060662 0.00061941
-0.01597524 -0.00178414 -0.00311150
10.13648397 -9.98458212 0.16833044
0.00014871 0.00044286 0.00004550
0.00341742 0.01515837 -0.02195621
-6.00268980 0.37298964 9.22117201
0.00077848 0.00050280 0.00072301
0.02552693 -0.00498356 0.01687364
-8.48477228 -0.18489817 8.19285057
-0.00018351 0.00020159 -0.00070867
-0.00788593 -0.00420781 -0.00680914
19.57033974 11.28384832 7.97988715
-0.00081618 0.00054852 -0.00007653
0.01143924 0.00000413 0.00821616
19.49076775 13.27445384 5.79781573
-0.00004282 -0.00026868 0.00142420
0.00133053 -0.01155064 0.00665725
-2.65368101 -2.36744082 -22.36514803
-0.00014820 -0.00030842 -0.00132835
-0.01985121 0.00337355 -0.00545514
-4.91716895 -3.54323105 -24.30132470
-0.00027384 0.00014327 -0.00017177
0.02217455 0.01947467 0.01589140
-12.47419195 9.16675173 9.60694623
0.00008956 -0.00007950 0.00023354
-0.00006359 -0.00111686 -0.00410549
-13.06676541 8.77101590 6.71382452
0.00060507 0.00053274 0.00041960
0.00227483 0.00465930 0.01096495
-12.75314940 7.31539189 -4.63445604
-0.00070680 -0.00006423 -0.00026268
0.00121703 0.00787067 0.01847569
-11.64193851 9.05502218 -2.48856508
-0.00076655 -0.00041093 0.00004219
0.00884597 0.04045409 0.00297326
-4.87719123 -17.36277039 19.83987650
-0.00121149 -0.00046813 -0.00089067
-0.00110392 0.00560137 0.01009635
-2.04063891 -16.86489429 19.39353723
-0.00037562 0.00091905 -0.00056389
-0.01474495 0.00991636 0.01758813
-3.57051043 5.35970240 -7.03900501
0.00050386 -0.00020018 -0.00041976
0.00481847 0.01148146 -0.00272470
-3.85988485 8.52930765 -6.63737410
-0.00092269 -0.00017819 0.00063262
0.00577107 -0.04227922 -0.03027678
-21.14104840 28.13234037 0.46969356
0.00014289 -0.00055618 0.00100681
-0.00834817 -0.00920880 -0.00321455
-18.92006867 29.53411430 1.37109280
0.00046171 0.00048044 -0.00135126
0.04842923 0.00310372 -0.00015041
8.47166171 2.61152581 6.33203716
-0.00009897 0.00090285 0.00141823
0.00859208 -0.00194458 -0.00051278
9.19189964 4.87416305 8.06390987
0.00025026 -0.00049944 0.00035257
0.02001705 -0.03788745 -0.01025780
7.18861640 15.49672960 -14.36291156
0.00091640 0.00204502 0.00044221
0.00833561 0.00151889 -0.00742133
6.82205502 12.69342753 -13.14332015
0.00130753 0.00044996 0.00007984
-0.00797173 0.05772938 -0.00195084
13.20623495 5.17432120 -3.39178944
-0.00014256 -0.00100834 0.00099999
-0.00484894 -0.00457200 0.00741282
13.28618725 3.14583333 -1.31935702
-0.00078630 -0.00094367 -0.00089050
-0.02373974 -0.00699773 0.04304684
-5.16712313 9.62455946 -0.22180570
0.00052152 0.00057725 -0.00114165
0.02491460 -0.02650187 -0.00087150
-7.91030741 10.19480866 -0.35710258
0.00085590 -0.00062977 -0.00060504
0.00619879 0.00998346 0.00724291
4.65917767 13.03819189 2.20773791
0.00004706 0.00075509 -0.00031241
-0.00987291 -0.00730467 -0.01619541
7.66670973 12.14109588 2.58157419
0.00036918 0.00044467 0.00032204
-0.04881979 0.03066487 0.01605569
21.05362467 -12.91043327 -10.30708787
0.00122862 -0.00010219 -0.00041903
-0.01447955 -0.01191632 0.01088710
22.39403358 -13.63976327 -12.82492288
0.00082662 0.00092533 0.00052889
-0.00124645 0.01330314 0.00504872
17.96906640 -5.97079335 1.94713420
-0.00052695 0.00005095 -0.00094495
-0.02959666 -0.00079646 0.02491483
16.36721171 -8.02369963 3.05201624
0.00045102 0.00003277 -0.00084077
-0.01468244 -0.03209202 -0.00202403
14.33031628 8.14129124 10.82223860
0.00035541 0.00007399 -0.00035624
-0.02216298 0.02308214 0.01467244
16.66380176 6.55959491 10.88814401
0.00039338 -0.00017798 -0.00031313
-0.00435562 0.00354724 -0.00293025
1.83132345 -13.35201631 15.01480294
-0.00169506 -0.00061798 0.00047149
0.00286068 0.01277785 0.00832169
3.60386909 -12.32144869 17.40542725
-0.00007889 -0.00020632 0.00037175
-0.01292402 -0.00717849 -0.02389958
-3.47935026 -2.75422340 -9.95114292
0.00009215 -0.00021257 0.00064827
0.00081212 0.01878074 -0.00896989
-1.97501938 -0.81785398 -11.66339105
-0.00057515 -0.00136882 0.00000016
0.02086814 0.00138754 -0.01076426
15.14655594 -7.69641582 -11.46973445
0.00025408 -0.00053732 -0.00038961
-0.00916000 -0.01096485 0.04760514
16.98840820 -6.99397295 -9.21324767
-0.00005096 -0.00033727 -0.00068473
-0.00757178 -0.00509734 0.01079777
7.56523006 -3.00674321 5.61381187
-0.00020593 -0.00045119 -0.00007084
-0.03037341 0.00807809 -0.00700181
10.23857054 -3.77748347 4.95371114
0.00045205 -0.00123178 0.00109339
0.00155564 0.00326309 -0.00085995
-21.14078051 1.04094963 22.74124114
0.00091812 -0.00054904 -0.00002446
-0.00937083 0.00760779 0.02207783
-23.07649890 0.68369664 25.06451830
-0.00104723 -0.00002959 -0.00047557
0.00670427 0.00266560 -0.00570678
25.66672895 -2.56526126 -7.97723822
0.00022155 0.00069309 0.00009099
0.00344415 -0.00493746 0.01351173
23.65779926 -0.64478436 -7.26689253
0.00003346 -0.00035263 -0.00047878
0.00302787 -0.00224441 0.00549454
11.23325373 -13.00410184 -8.67712885
-0.00046191 0.00061055 -0.00047809
-0.00135990 0.01792217 -0.00382389
12.74088343 -10.38240375 -9.45774045
0.00030945 -0.00091776 -0.00036497
0.00129563 -0.00674483 0.00205794
-5.61696648 -10.37638900 18.16952555
-0.00059987 0.00003660 -0.00007813
0.00378407 -0.00423969 0.02388245
-6.20226375 -9.93902646 15.45496948
0.00096224 -0.00033100 0.00041610
0.02692378 -0.00113826 0.00021599
9.18346302 1.25661843 -31.76063257
0.00013502 0.00022584 0.00012923
0.00084168 -0.01627804 -0.00801205
6.60249805 2.69585313 -31.69715432
0.00028873 0.00031729 -0.00143980
0.01158824 -0.00397312 0.00151410
11.40824372 18.01447364 13.13036151
0.00003258 -0.00075086 -0.00067002
-0.00494434 -0.01738402 0.02263665
11.88730252 15.45069400 14.60832067
0.00030679 -0.00089697 -0.00042208
0.00093853 0.01247125 -0.00639795
30.88725588 5.44261713 -7.87296974
0.00067976 -0.00021782 0.00019466
0.00026179 0.00132283 -0.00481374
28.68784947 7.42749194 -7.43254126
0.00015739 -0.00046119 -0.00037614
0.05614643 0.00286881 -0.00188094
-8.41065035 4.83825884 5.64857406
0.00006137 -0.00007267 0.00003223
0.00721752 0.00469576 0.00229153
-10.73478708 10.14168683 3.38045020
0.00002926 -0.00002764 -0.00009853
-0.00581859 -0.00550925 0.00646808
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08397576
0.32033701
426.83300502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3410106072 (a.u.)
total exchange computation time: 2.8289270401 s
-154.0014301484
-931.40701865
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3408523563 (a.u.)
total exchange computation time: 2.8304758072 s
-154.0034192345
Anderson extrapolation: theta=1.3387942466 (1.3387942466)
-931.40726616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3405755919 (a.u.)
total exchange computation time: 2.8285539150 s
-154.0064572647
Anderson extrapolation: theta=0.0497439768 (0.0497439768)
-931.40741265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3405050737 (a.u.)
total exchange computation time: 2.8310930729 s
-154.0070003241
Anderson extrapolation: theta=1.9014549728 (1.9014549728)
-931.40741794
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3403470048 (a.u.)
total exchange computation time: 2.8304538727 s
-154.0081575506
Anderson extrapolation: theta=0.2186539267 (0.2186539267)
-931.40742353
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3403026134 (a.u.)
total exchange computation time: 2.8271749020 s
-154.0084322144
Anderson extrapolation: theta=1.8939495173 (1.8939495173)
-931.40742461
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3402315796 (a.u.)
total exchange computation time: 2.8281769753 s
-154.0088122112
Anderson extrapolation: theta=0.2851236775 (0.2851236775)
-931.40742600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3402258759 (a.u.)
total exchange computation time: 2.8297309875 s
-154.0087794940
Anderson extrapolation: theta=1.2963452227 (1.2963452227)
-931.40742633
-211.907612 76.726233 -36.390817
566.441264 1066.332384 -418.710325
354.533653 1143.058616 -455.101142
1280.388285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3402302549 (a.u.)
total exchange computation time: 2.8288540840 s
678.37559846
-1082.79744994
89.80906616
-389.72851095
-174.72590006
77.73893695
551.60419304
0.00000000
-931.40742659
5.47010649 -31.29117382 -3.76778631
-0.00035330 -0.00025428 0.00008006
-0.01625006 0.00788048 -0.00514825
-11.87022161 -0.97377833 -11.83145014
-0.00003799 0.00011600 0.00000649
0.00926197 -0.01668496 0.01827596
-37.87458343 2.34621068 3.27180902
0.00007737 0.00026256 -0.00031803
-0.01797587 0.02157896 -0.00574096
-9.88463388 -2.71967064 2.49716761
-0.00047282 0.00021430 0.00007469
-0.03705550 0.03213666 -0.01027501
0.84160971 -0.29851887 8.94480281
0.00028379 -0.00020569 0.00007097
-0.02471883 -0.02668459 -0.01980821
-32.39779162 2.72567023 1.80121837
0.00004784 -0.00002796 0.00002697
-0.02114569 0.04054525 -0.00519079
14.06287638 13.79261052 -14.48350546
0.00007549 0.00019802 -0.00041014
-0.02744555 -0.00782929 -0.00637722
-4.21899498 7.05275283 3.99684493
-0.00054348 -0.00014787 0.00002446
-0.00890024 -0.00158908 0.03277522
5.85423742 16.69936295 -8.37368914
0.00023377 -0.00009893 0.00022935
0.01588532 -0.02109077 -0.01898371
6.76447026 7.28404350 -21.01611248
-0.00015232 0.00014058 0.00003362
-0.01781753 -0.01268625 0.00536603
23.35532305 17.10925139 -2.13737798
-0.00010920 -0.00003906 0.00025720
-0.00784411 -0.01107594 0.00867175
1.41804637 12.94585469 -20.89692312
0.00009834 0.00012871 0.00023595
-0.00486574 -0.02933813 -0.01166518
10.43488652 -3.54286296 -1.66560407
0.00011238 0.00019767 0.00001557
0.01798845 0.06370627 -0.01802588
-17.82031497 -2.69115472 4.75058999
0.00020430 0.00004936 0.00016412
0.00945085 0.00390005 -0.01837133
-15.27966638 0.10833184 18.55876273
0.00008794 -0.00014707 -0.00012059
0.02579118 -0.00028506 -0.00377365
2.64530271 2.79099865 -2.86665676
-0.00046447 0.00014895 0.00020034
-0.01487946 -0.00446570 0.00293434
23.44817356 -7.90242575 -9.69561375
0.00016035 -0.00010770 -0.00015582
-0.00135913 -0.02188001 -0.01035103
1.51473900 -7.88218907 6.72318937
0.00034283 0.00013825 0.00012352
0.01683055 -0.00694768 0.03158971
-3.62935836 -1.00792694 -18.03049742
0.00036760 0.00028039 0.00033329
0.01657970 -0.02001621 -0.00760970
3.14297208 4.25666848 -10.57178699
-0.00025539 -0.00007334 0.00025725
-0.04262402 0.00543251 -0.01688083
-2.62984859 16.83214285 13.98404043
-0.00008255 0.00009585 0.00020781
0.00242100 0.00791760 -0.03902836
-2.27366397 2.11373213 -7.02409688
-0.00002307 0.00002268 -0.00008639
-0.00147206 0.00038235 -0.02023021
-6.75945152 -2.03380475 -4.50281274
-0.00029590 -0.00007317 -0.00018878
-0.00514521 0.00762602 0.00766870
0.37192231 28.29535634 7.35115438
-0.00012058 0.00016083 -0.00008239
-0.02278079 -0.00354949 -0.00873275
10.09748345 -9.13794889 -1.52994698
0.00022582 -0.00003417 -0.00021013
0.01713230 -0.01271521 0.02028141
-6.88560137 0.50393220 7.66041209
-0.00030103 0.00029782 0.00022355
-0.01477330 0.01088286 -0.00667908
18.79654048 11.66598042 6.39000714
0.00035130 -0.00013565 0.00017188
-0.01655093 0.00630113 -0.01705797
-3.34269918 -3.80501225 -23.25037307
-0.00008108 0.00038523 0.00017073
-0.01555370 -0.02271897 -0.01623037
-13.63798029 8.34102654 8.43187107
-0.00004295 0.00004889 0.00028740
0.00088943 -0.00247413 -0.00797886
-12.20368775 7.41080970 -2.79918742
-0.00026863 -0.00020093 -0.00041146
-0.01192940 -0.04558255 -0.02145397
-3.45469267 -16.37861462 20.52495389
-0.00025196 -0.00020707 0.00020881
0.00963247 -0.01516725 -0.02428715
-3.47356358 7.01665417 -7.87483517
-0.00048525 0.00031177 0.00011441
-0.00799478 0.04006025 0.02640419
-20.67534346 29.65746713 1.32255990
-0.00005478 0.00028553 -0.00002349
-0.03349717 0.00638071 0.00541800
9.87782179 3.10957972 7.44570938
0.00001578 -0.00015818 -0.00023576
-0.02539858 0.05517014 0.01430790
6.38772933 14.60202211 -12.98914246
-0.00001291 0.00007659 0.00047760
0.01063946 -0.05753887 0.00359601
14.12850723 3.72561253 -2.74581691
0.00003978 -0.00015325 0.00015306
0.03291550 0.00395853 -0.04995249
-6.25452878 11.00368747 -0.36093463
0.00006582 -0.00024712 0.00018752
-0.02507961 0.02445879 -0.01071751
6.18860213 13.29961781 3.13220863
0.00023085 0.00028334 0.00000031
0.05559623 -0.01847014 0.00677361
21.87077850 -12.18328389 -11.74121922
-0.00015501 0.00003701 -0.00020553
0.01051013 0.00065237 -0.01156323
16.75218319 -6.32819884 3.40390061
0.00020678 0.00012506 0.00011653
0.04388981 0.03397852 -0.03382115
15.33391700 7.13377118 9.74760961
0.00011769 -0.00027129 -0.00034724
0.02512589 -0.02730003 -0.01511301
3.00788368 -13.74557056 16.33825021
-0.00003842 0.00022423 -0.00036924
0.01711177 -0.00921353 0.01109192
-3.57014771 -1.07361831 -10.85273640
0.00000049 -0.00028589 -0.00019242
-0.02549134 -0.01727461 0.02962086
15.35248390 -7.86139971 -9.49430453
-0.00000923 0.00021016 0.00004070
-0.00116635 0.01131821 -0.05834926
9.08275987 -3.60245453 6.36751254
0.00056865 -0.00044445 -0.00011329
0.01256742 -0.01141655 0.01671081
-21.56344184 1.58757955 24.47291995
-0.00019299 -0.00000124 -0.00011158
0.00136580 -0.00755065 -0.01434221
24.90836682 -1.74439968 -6.49560937
-0.00000159 -0.00004718 -0.00010196
-0.00757325 0.00559332 -0.01871870
11.80964050 -11.85753049 -10.01938113
0.00032866 -0.00007384 -0.00001137
-0.00385284 -0.01467824 -0.00574388
-4.75117512 -10.35506063 16.57692235
0.00015166 -0.00025378 -0.00015012
-0.02025099 -0.00526080 -0.01118138
8.20804577 2.43388944 -30.80273030
0.00015700 0.00028635 -0.00049530
-0.02730411 0.01596571 0.01086966
10.94052391 17.02264858 14.67365239
0.00012300 -0.00024495 -0.00019846
0.00933124 0.01053774 -0.01795658
30.67234455 7.26859494 -7.53135292
-0.00011732 -0.00003961 0.00034591
-0.05555698 -0.00543148 0.00761187
5.73670030 -30.11213788 -5.20474324
-0.00048722 0.00048985 -0.00030655
-0.00940286 -0.00785388 0.01194009
3.92291132 -30.77640288 -2.85245063
0.00047902 0.00068757 0.00028998
0.01830204 0.00375994 -0.01057521
-12.58983432 -1.77018552 -13.34541267
-0.00042801 -0.00024084 0.00036110
0.00029819 -0.01179306 -0.00314923
-11.67151502 0.72366361 -12.37557887
-0.00011926 0.00066835 0.00042184
0.00129537 0.02310325 -0.01585167
-38.11769490 4.01565110 2.46686826
0.00055326 -0.00020528 0.00120637
0.01575363 -0.00315730 0.00226216
-39.66556126 1.94674794 3.33965964
0.00029214 -0.00017885 0.00029666
-0.00012216 -0.01745562 0.00537089
-9.84783094 -3.46601833 0.83654084
-0.00058532 -0.00025971 0.00033087
-0.00696307 0.00310558 -0.00667659
-8.59384118 -3.42088795 3.39019528
-0.00042027 0.00002029 0.00018389
0.05644390 -0.02872123 0.03170198
0.19873956 -0.69333549 7.20851441
0.00051471 -0.00036284 -0.00090272
0.02005260 0.01571999 0.02623108
1.90169426 1.15249050 8.98256556
-0.00033303 -0.00004382 -0.00020796
0.00598047 0.00818774 -0.00835045
-32.38583466 0.99090106 2.27322857
-0.00092221 -0.00042036 -0.00096527
-0.00883684 -0.02593831 0.00399864
-34.17159555 3.39605044 1.83269598
0.00010141 0.00029104 -0.00088225
0.03051656 -0.02272002 0.00170619
12.70613309 12.82850928 -15.37738667
0.00056103 0.00119884 0.00067948
0.01868341 0.01494549 0.01273696
15.53271673 12.76172073 -14.75429480
0.00080372 -0.00042434 0.00121130
0.01266404 -0.00648293 -0.00895240
-3.94645705 8.79825467 4.51373129
0.00007873 -0.00005141 -0.00101329
-0.00240571 0.00469585 0.00575222
-3.64062018 6.98363574 2.32639113
0.00008787 0.00037968 -0.00114560
0.01259054 -0.01001414 -0.03179220
6.12866793 15.78168460 -10.07490319
0.00009879 -0.00046136 0.00056943
-0.00678840 0.01915225 0.02340395
7.63520952 16.95676540 -7.84942741
0.00015539 0.00031297 0.00055121
-0.00844402 -0.00001731 -0.00247524
7.69420779 7.22470965 -22.60582093
-0.00082526 0.00036153 0.00058857
0.00828417 0.00248432 -0.00349401
7.82458339 8.09216385 -19.77529547
-0.00025945 0.00128713 -0.00065756
0.00946396 0.00488598 -0.00216070
21.65574701 17.76937430 -2.49781744
-0.00046596 -0.00045353 -0.00023905
0.00628884 -0.00624797 0.00721855
24.47192758 17.82266849 -3.33198768
-0.00061641 -0.00043288 -0.00001850
0.01093365 0.01253601 -0.01760558
1.16844932 11.14847998 -21.35320916
-0.00043453 -0.00056153 0.00070781
0.00205610 0.00851971 0.01200270
0.62630801 13.79912823 -22.28903632
-0.00004696 -0.00013605 -0.00009559
0.00074423 0.01561394 -0.00248602
9.84678538 -5.14590637 -1.68187033
-0.00004235 -0.00065477 -0.00022814
-0.02132383 -0.07788322 0.00186828
9.49237169 -2.70979872 -2.99177562
0.00103229 -0.00042158 -0.00164009
-0.00261564 0.00436646 0.00344800
-18.75030579 -4.15581683 5.27915607
0.00039930 -0.00079682 0.00009267
-0.00469653 -0.01134940 0.00396538
-17.17088621 -3.13488721 3.07563393
-0.00061892 -0.00062601 -0.00035928
-0.01082177 0.00208475 0.00973171
-15.41066366 0.33159322 16.74399689
0.00005523 0.00050011 -0.00042655
-0.00038523 -0.00051699 0.00024843
-13.72820495 1.03824770 18.94481142
0.00021022 0.00006535 0.00017269
-0.01508687 -0.00329406 0.00165963
3.10398686 3.92068746 -4.24489624
0.00001003 0.00064771 0.00065436
0.00189323 -0.01458793 0.00760461
3.25614436 1.04955051 -3.12951491
0.00013364 0.00014479 -0.00027734
0.00603400 0.02716162 -0.00923171
23.11117356 -9.66455216 -10.37769659
0.00089851 -0.00073335 -0.00025768
0.00412776 0.02558868 0.00812047
24.91732776 -7.92921132 -8.62235955
-0.00039647 -0.00031112 -0.00054963
0.00189423 0.00178098 -0.00167412
2.41957124 -9.06285990 5.69142811
-0.00013418 -0.00039503 0.00091949
-0.00058780 0.00013946 -0.01675881
2.43605259 -8.24167298 8.33771503
-0.00118791 -0.00038194 0.00025623
-0.01748944 0.01961689 -0.01911842
-3.55311788 -2.85817649 -17.80033801
0.00079640 0.00085896 -0.00069355
-0.00800580 0.02092474 0.00116294
-5.05062896 -0.37900837 -17.04199096
-0.00009836 -0.00037462 -0.00022882
-0.00063003 -0.00492102 0.00741596
1.94763885 4.75731956 -12.00290834
-0.00043306 0.00024347 0.00056645
0.03041318 -0.00498909 0.01877984
1.85860375 4.04723363 -9.25576120
-0.00096313 0.00106028 0.00001030
0.01123248 -0.00236497 -0.00133553
-0.96490664 16.34074826 13.18597030
0.00047497 -0.00058358 0.00038011
-0.01208053 -0.00848138 0.02054126
-2.50028880 17.15096215 15.73159699
0.00024211 -0.00027361 -0.00065044
0.00723094 -0.00092466 0.01778600
-1.82309840 1.18276160 -5.57134150
-0.00056553 -0.00001732 0.00051441
0.00251359 -0.00861969 0.01803380
-2.86913007 0.84109728 -8.28431041
-0.00003167 0.00056322 0.00142284
-0.00195813 0.00753170 0.00286913
-8.21515000 -3.15127620 -4.73808375
0.00045323 0.00059110 0.00109574
0.00172780 0.01454473 0.00230710
-7.32966315 -0.34263000 -3.91197062
0.00009339 -0.00027897 0.00006589
0.00103104 -0.02352884 -0.01020630
1.22092455 28.25825168 5.75009637
-0.00091943 -0.00028860 0.00068500
0.01635700 0.00219771 -0.00833606
-1.35879983 28.33336808 6.63798296
0.00149967 -0.00063993 0.00032772
0.00352042 -0.00160941 0.00980633
8.38030880 -9.23043698 -2.10935152
-0.00020819 -0.00061296 0.00060596
-0.01490784 -0.00131841 -0.00347153
10.13881939 -9.97747476 0.16834019
0.00016404 0.00050423 -0.00004352
0.00408748 0.01488229 -0.02161976
-5.99023040 0.38037887 9.23253424
0.00087196 0.00048203 0.00077799
0.02023507 -0.00518095 0.01003921
-8.48776660 -0.18200323 8.18201183
-0.00021823 0.00018268 -0.00073281
-0.00910819 -0.00504926 -0.00500580
19.55844759 11.29207620 7.97899102
-0.00076436 0.00054392 -0.00003113
0.01392660 -0.00225352 0.01400781
19.49016618 13.27006965 5.81938270
-0.00003426 -0.00030682 0.00144630
0.00286311 -0.00711632 0.00416128
-2.65651234 -2.37196367 -22.38524042
-0.00022102 -0.00027774 -0.00134030
-0.01579547 0.01164113 -0.00039349
-4.92059711 -3.54048523 -24.30341429
-0.00018040 0.00022230 -0.00010542
0.02356718 0.01921194 0.01658847
-12.47285050 9.16552505 9.61032353
0.00008887 -0.00008429 0.00021746
-0.00027208 -0.00122940 -0.00376420
-13.05761966 8.77914979 6.72045457
0.00061281 0.00055039 0.00046550
0.00151471 0.00398209 0.01150076
-12.76371417 7.31466956 -4.63783007
-0.00070133 -0.00003171 -0.00018781
0.00146062 0.00805190 0.01817492
-11.65316576 9.05009794 -2.48784119
-0.00072922 -0.00024211 0.00005492
0.00943128 0.04218095 0.00326248
-4.89539736 -17.36962074 19.82682577
-0.00120370 -0.00043711 -0.00084280
0.00491599 0.00958657 0.01333815
-2.04672500 -16.85080470 19.38561784
-0.00043618 0.00095906 -0.00049121
-0.01489933 0.00966872 0.01798824
-3.56280490 5.35705150 -7.04538492
0.00052294 -0.00015149 -0.00043135
0.00452376 0.01235257 -0.00295018
-3.87354840 8.52533926 -6.62881256
-0.00089833 -0.00034996 0.00050852
0.00615428 -0.04180186 -0.03046988
-21.13916092 28.12371551 0.48469716
0.00010862 -0.00059142 0.00099514
-0.00842411 -0.00804031 -0.00249509
-18.91165898 29.54141608 1.35081925
0.00064945 0.00049449 -0.00135203
0.04347196 0.00377134 -0.00022311
8.47044051 2.62500900 6.35329484
-0.00007505 0.00088840 0.00140529
0.00311609 -0.00512835 -0.00582199
9.19626692 4.86551043 8.06888403
0.00033243 -0.00065152 0.00031131
0.02020612 -0.03655346 -0.00993707
7.20261778 15.52745143 -14.35650583
0.00094150 0.00204001 0.00042781
0.00395227 -0.00397280 0.00037342
6.84142376 12.70194598 -13.14218232
0.00127420 0.00068448 0.00007169
-0.00834624 0.05706659 -0.00203778
13.20394792 5.15905596 -3.37656241
-0.00016878 -0.00101507 0.00102362
-0.00798244 0.00127737 0.00415390
13.27366528 3.13146390 -1.33139539
-0.00088311 -0.00097454 -0.00071241
-0.02364659 -0.00811451 0.04412867
-5.15853689 9.63240615 -0.23895712
0.00062855 0.00046307 -0.00114522
0.02747680 -0.02939298 -0.00087688
-7.89727896 10.18566807 -0.36595619
0.00087362 -0.00059260 -0.00057512
0.00247618 0.00820789 0.00740065
4.65958098 13.04929445 2.20255547
0.00001047 0.00072530 -0.00037638
-0.00803709 -0.00727991 -0.01511800
7.67075145 12.14870561 2.58689674
0.00017076 0.00056867 0.00038647
-0.04830695 0.03003227 0.01548429
21.07161022 -12.91233133 -10.31303974
0.00116368 -0.00015520 -0.00036468
-0.01730597 -0.01403105 0.01571682
22.40639469 -13.62547571 -12.81683488
0.00082340 0.00097263 0.00054342
-0.00033206 0.00985200 0.00206724
17.96025522 -5.97005346 1.93372344
-0.00064792 0.00004919 -0.00083992
-0.02962003 -0.00006505 0.02649642
16.37352713 -8.02419141 3.03934268
0.00039129 -0.00009390 -0.00084691
-0.01455654 -0.02991563 -0.00098230
14.33496827 8.14310836 10.81734456
0.00026623 0.00016678 -0.00029737
-0.02149092 0.02233990 0.01414692
16.66956894 6.55703393 10.88335729
0.00037333 -0.00016257 -0.00032672
-0.00545875 0.00399557 -0.00372237
1.80598522 -13.36089443 15.02213030
-0.00168019 -0.00056556 0.00050982
0.00441776 0.01288194 0.01044294
3.60228967 -12.32476348 17.41027111
-0.00013304 -0.00023476 0.00027318
-0.01358197 -0.00674384 -0.02435096
-3.47794311 -2.75683649 -9.94169379
0.00009437 -0.00013352 0.00060989
0.00027620 0.01991657 -0.00981564
-1.98300719 -0.83834377 -11.66371848
-0.00048050 -0.00136069 -0.00004885
0.02546431 0.00259184 -0.01322667
15.15008652 -7.70481157 -11.47411979
0.00021572 -0.00058097 -0.00019290
-0.00961871 -0.01040499 0.04868588
16.98741185 -6.99918814 -9.22318780
-0.00007798 -0.00035553 -0.00063896
-0.00565585 -0.00384333 0.01160895
7.56121034 -3.01326356 5.61253471
-0.00031948 -0.00042195 -0.00009632
-0.02521079 0.00623498 -0.00547164
10.24539889 -3.79586015 4.97008560
0.00046482 -0.00121913 0.00107939
0.00469730 0.00292690 -0.00599362
-21.12729584 1.03294714 22.74155076
0.00087814 -0.00051673 0.00006919
-0.01019949 0.00820856 0.02376446
-23.09200185 0.68333441 25.05720985
-0.00101364 -0.00001533 -0.00050113
0.00973816 0.00431836 -0.00680573
25.67015778 -2.55501616 -7.97545933
0.00023830 0.00066970 0.00014210
0.00475472 -0.00651350 0.01150516
23.65839399 -0.65014261 -7.27390587
0.00004492 -0.00036076 -0.00045597
0.00257875 -0.00173463 0.00567044
11.22628347 -12.99439439 -8.68441734
-0.00046921 0.00067885 -0.00048799
-0.00221580 0.01551277 -0.00102133
12.74556493 -10.39637680 -9.46315193
0.00032051 -0.00093529 -0.00035243
0.00411732 -0.00183956 0.00408101
-5.62584864 -10.37596997 18.16908545
-0.00058018 0.00001934 0.00001367
0.00585517 -0.00420653 0.02105529
-6.18700518 -9.94402628 15.46121763
0.00106214 -0.00033265 0.00040797
0.02198155 0.00033036 -0.00419624
9.18551412 1.25950718 -31.75893961
0.00014138 0.00015602 0.00009451
0.00226984 -0.01789676 -0.00898593
6.60718412 2.70049073 -31.71870497
0.00033954 0.00030074 -0.00143036
0.01328418 -0.00412995 0.00310646
11.40858085 18.00267800 13.12100491
0.00001220 -0.00082142 -0.00057671
-0.00502912 -0.01715620 0.02303850
11.89193306 15.43762158 14.60179344
0.00030573 -0.00083802 -0.00044740
-0.00145467 0.01638622 -0.00599815
30.89746035 5.43939032 -7.87019728
0.00067956 -0.00020881 0.00017556
-0.00036166 0.00308902 -0.00453807
28.69193077 7.42066202 -7.43824105
0.00038339 -0.00044904 -0.00038322
0.05448292 0.00308002 -0.00158312
-8.40971046 4.83718142 5.64906363
0.00006396 -0.00007100 0.00003302
0.00726351 0.00460382 0.00211792
-10.73435825 10.14126266 3.37898347
0.00002789 -0.00002891 -0.00009703
-0.00602646 -0.00548743 0.00646750
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08403593
0.32339066
430.90184137
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3480629897 (a.u.)
total exchange computation time: 2.8296239376 s
-154.0299018248
-931.41052385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3478597556 (a.u.)
total exchange computation time: 2.8275759220 s
-154.0322516520
Anderson extrapolation: theta=1.3413658698 (1.3413658698)
-931.41076138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3475151066 (a.u.)
total exchange computation time: 2.8283700943 s
-154.0358302311
Anderson extrapolation: theta=0.0499443964 (0.0499443964)
-931.41090216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3474361580 (a.u.)
total exchange computation time: 2.8306169510 s
-154.0364345511
Anderson extrapolation: theta=1.9029073853 (1.9029073853)
-931.41090724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3472607993 (a.u.)
total exchange computation time: 2.8276109695 s
-154.0377170274
Anderson extrapolation: theta=0.2173148450 (0.2173148450)
-931.41091259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3472123986 (a.u.)
total exchange computation time: 2.8271830082 s
-154.0380204018
Anderson extrapolation: theta=1.8926497171 (1.8926497171)
-931.41091361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3471343828 (a.u.)
total exchange computation time: 2.8286559582 s
-154.0384502260
Anderson extrapolation: theta=0.2854345967 (0.2854345967)
-931.41091491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3471272604 (a.u.)
total exchange computation time: 2.8269920349 s
-154.0384273084
Anderson extrapolation: theta=1.3024577092 (1.3024577092)
-931.41091522
-211.904183 76.669044 -36.353383
566.460369 1066.324029 -418.706112
354.556186 1142.993074 -455.059495
1280.321209
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3471302690 (a.u.)
total exchange computation time: 2.8286790848 s
678.46658627
-1083.01540349
89.81020119
-389.58159949
-174.74356967
77.86092725
551.60419304
0.00000000
-931.41091545
5.46474434 -31.29495762 -3.76660522
-0.00036103 -0.00024951 0.00007630
-0.01382872 0.01066249 -0.00950331
-11.87075573 -0.97210263 -11.83128225
-0.00003321 0.00010819 0.00001570
0.00934059 -0.01371871 0.01752802
-37.87349217 2.35023225 3.26701646
0.00006855 0.00027195 -0.00032001
-0.01635441 0.01496403 -0.00196366
-9.89186910 -2.71633221 2.49824827
-0.00049110 0.00023045 0.00006986
-0.03402996 0.03066337 -0.00848789
0.84577124 -0.30170708 8.94579089
0.00027055 -0.00021999 0.00005957
-0.02678951 -0.02894354 -0.02450885
-32.39715558 2.72540730 1.80160286
0.00003697 -0.00000753 0.00002429
-0.02114438 0.03889304 -0.00522596
14.06390292 13.79555055 -14.48968221
0.00006427 0.00019451 -0.00041228
-0.01621365 -0.00579869 -0.00193843
-4.22718154 7.05052863 3.99733824
-0.00054688 -0.00014872 0.00003803
-0.00429661 -0.00172430 0.01999009
5.85780524 16.69779770 -8.37032219
0.00024188 -0.00010960 0.00022003
0.01565281 -0.02043390 -0.01723882
6.76211680 7.28610322 -21.01558745
-0.00016206 0.00013420 0.00003752
-0.02009135 -0.01209832 0.00980197
23.35365486 17.10862281 -2.13348650
-0.00011401 -0.00004477 0.00026187
-0.01086888 -0.01112913 0.00948840
1.41950266 12.94767214 -20.89342880
0.00009552 0.00011295 0.00022950
-0.00607295 -0.03195711 -0.01343099
10.43664155 -3.53965212 -1.66544004
0.00012018 0.00022802 0.00000562
0.01234624 0.05430779 -0.02065328
-17.81721405 -2.69039925 4.75298094
0.00020875 0.00005004 0.00015441
0.00786790 -0.00126303 -0.01937945
-15.27824780 0.10612471 18.55693937
0.00010143 -0.00014686 -0.00012319
0.02667954 0.00109428 -0.00632980
2.63827833 2.79321573 -2.86364039
-0.00047186 0.00014633 0.00020162
-0.01388751 -0.00575468 0.00204778
23.45057350 -7.90412569 -9.69799098
0.00015856 -0.00011958 -0.00016210
-0.00558699 -0.02429509 -0.01408714
1.51994630 -7.88014215 6.72516409
0.00035060 0.00013518 0.00013944
0.01341345 -0.00497273 0.03029875
-3.62378039 -1.00379826 -18.02552749
0.00037626 0.00027124 0.00032905
0.01710016 -0.01557247 -0.00886823
3.13897687 4.25558937 -10.56799329
-0.00027768 -0.00007043 0.00024887
-0.04407788 0.00585882 -0.01571276
-2.63107757 16.83361112 13.98700706
-0.00008057 0.00009932 0.00018560
0.00528125 0.00558829 -0.04735698
-2.27401573 2.11407385 -7.02547075
-0.00002298 0.00002362 -0.00009459
0.00183415 0.00324091 -0.01166273
-6.76390987 -2.03487287 -4.50561490
-0.00029675 -0.00006826 -0.00018461
0.00183284 0.01147679 0.00854941
0.37002566 28.29775515 7.34988486
-0.00013070 0.00015892 -0.00008428
-0.01655714 -0.00390928 0.00136102
10.10093685 -9.13851047 -1.53302075
0.00023399 -0.00004065 -0.00019995
0.01464074 -0.01248207 0.01930261
-6.89017379 0.50844152 7.66373953
-0.00030690 0.00030361 0.00022139
-0.00804869 0.01160961 -0.00170563
18.80174612 11.66397003 6.39251952
0.00034178 -0.00013301 0.00016234
-0.02045077 0.00396534 -0.02002200
-3.34397533 -3.79932151 -23.24787476
-0.00009043 0.00037140 0.00016090
-0.02080898 -0.03103768 -0.02200586
-13.63862115 8.34175041 8.43615130
-0.00004226 0.00004779 0.00028307
0.00178841 -0.00180709 -0.00885311
-12.20776325 7.40761996 -2.80544212
-0.00027468 -0.00022438 -0.00042220
-0.01158966 -0.04562359 -0.02030769
-3.45843498 -16.38177920 20.52799243
-0.00024848 -0.00021562 0.00019563
0.00390140 -0.01807330 -0.02698953
-3.48087313 7.02148519 -7.87301720
-0.00048928 0.00033184 0.00012791
-0.00768667 0.03798750 0.02611647
-20.67629433 29.66177467 1.32222849
-0.00007034 0.00028823 -0.00002090
-0.02702501 0.00410816 0.00465911
9.87796052 3.10741986 7.44222821
0.00000428 -0.00012949 -0.00022716
-0.01930415 0.05639460 0.01912294
6.38757677 14.60294897 -12.98196457
-0.00000628 0.00004887 0.00047761
0.01512197 -0.05024163 -0.00355727
14.12923085 3.72332911 -2.74371366
0.00005725 -0.00015258 0.00012839
0.03503715 -0.00135590 -0.04597659
-6.25363817 11.00007495 -0.35816319
0.00005359 -0.00023368 0.00018200
-0.02248970 0.02781696 -0.01074868
6.19227937 13.30379668 3.13223939
0.00025842 0.00027415 0.00000362
0.05161762 -0.01728537 0.00611712
21.86849386 -12.18272626 -11.74434677
-0.00014931 0.00003884 -0.00021164
0.01166168 0.00646066 -0.01219763
16.75545418 -6.32619183 3.40551814
0.00022909 0.00014143 0.00009860
0.04286980 0.02967723 -0.03589483
15.33577920 7.12959646 9.74234270
0.00013043 -0.00028504 -0.00035447
0.02443726 -0.02613851 -0.01297948
3.00737331 -13.74224266 16.33275432
-0.00002997 0.00021930 -0.00036403
0.01577252 -0.00994849 0.00919545
-3.57023876 -1.07797322 -10.85550842
-0.00001354 -0.00029521 -0.00017655
-0.02904640 -0.01897798 0.03207239
15.35234097 -7.85820363 -9.49391917
-0.00001030 0.00021549 0.00001040
-0.00300417 0.00938656 -0.05946827
9.09133810 -3.60916528 6.36587765
0.00057254 -0.00044973 -0.00010374
0.00256773 -0.00910829 0.02040811
-21.56633149 1.58753184 24.47119090
-0.00019285 -0.00000560 -0.00011894
-0.00079004 -0.00939360 -0.01427065
24.90831372 -1.74508587 -6.49721093
-0.00000572 -0.00004406 -0.00011104
-0.00846428 0.00657413 -0.01659059
11.81455561 -11.85869469 -10.01957388
0.00032618 -0.00008201 -0.00001556
-0.00580574 -0.01710602 -0.01054924
-4.74897826 -10.35888759 16.57462738
0.00014208 -0.00025688 -0.00015374
-0.01701477 -0.00680252 -0.00289530
8.21029545 2.43824632 -30.81011782
0.00014234 0.00029489 -0.00048982
-0.02971499 0.01721964 0.01044043
10.94240486 17.01901495 14.67060617
0.00012833 -0.00024055 -0.00020772
0.01139728 0.00658731 -0.01801749
30.67037051 7.26797980 -7.52613491
-0.00014508 -0.00004289 0.00034949
-0.05240008 -0.00729792 0.00632094
5.72910385 -30.10503075 -5.20897561
-0.00052565 0.00045185 -0.00025172
-0.00940947 -0.01074896 0.01490154
3.93065752 -30.76597406 -2.84842504
0.00054921 0.00070297 0.00024967
0.01605448 0.00377787 -0.00915521
-12.59624537 -1.77415954 -13.34009268
-0.00042558 -0.00028680 0.00034855
0.00089106 -0.01070371 -0.00299528
-11.67326421 0.73439674 -12.36973708
-0.00011505 0.00075411 0.00035780
0.00076561 0.01887902 -0.01549393
-38.10891321 4.01247521 2.48503318
0.00061428 -0.00020572 0.00120898
0.01411356 0.00293976 -0.00098753
-39.66118296 1.94353035 3.34427416
0.00029098 -0.00024925 0.00031763
-0.00044618 -0.01700826 0.00489400
-9.85682411 -3.46981887 0.84129936
-0.00061350 -0.00024702 0.00030314
-0.00683329 0.00310763 -0.00689779
-8.59841558 -3.42146369 3.39392512
-0.00019521 -0.00009387 0.00030969
0.05372290 -0.02716231 0.02987610
0.20707476 -0.69829644 7.19577736
0.00059886 -0.00029711 -0.00078656
0.02113473 0.01645745 0.03063299
1.89688200 1.15208402 8.97919023
-0.00030644 -0.00000731 -0.00024155
0.00703840 0.00968882 -0.00809220
-32.39993860 0.98380085 2.25887202
-0.00095796 -0.00052348 -0.00094942
-0.00866395 -0.02454243 0.00376226
-34.16913932 3.39971990 1.81951447
0.00022561 0.00019870 -0.00087463
0.03028424 -0.02248351 0.00202329
12.71512113 12.84694986 -15.36680413
0.00062577 0.00124961 0.00072264
0.01300582 0.00990508 0.00838757
15.54516062 12.75515701 -14.73639959
0.00084441 -0.00044508 0.00117442
0.00725481 -0.00367144 -0.00910213
-3.94534985 8.79762742 4.49870817
0.00006829 -0.00003188 -0.00098740
-0.00270426 0.00486589 0.00692341
-3.63891632 6.98902412 2.30823289
0.00013047 0.00033795 -0.00125225
0.00826046 -0.01041428 -0.02041198
6.12994170 15.77535112 -10.06564455
0.00007217 -0.00038380 0.00066302
-0.00623840 0.01881073 0.02240585
7.63728166 16.96145939 -7.84123517
0.00012031 0.00031207 0.00053988
-0.00872692 -0.00042228 -0.00306898
7.68208277 7.23020875 -22.59709937
-0.00078644 0.00037072 0.00056428
0.01071935 0.00201195 -0.00839679
7.82098163 8.11162054 -19.78522508
-0.00022105 0.00130704 -0.00066542
0.00933131 0.00486180 -0.00168617
21.64895039 17.76237995 -2.50118203
-0.00043710 -0.00048031 -0.00020825
0.00783528 -0.00686242 0.00785855
24.46301640 17.81655938 -3.33280466
-0.00056858 -0.00038008 -0.00009347
0.01247965 0.01331083 -0.01909073
1.16199436 11.14031817 -21.34222427
-0.00042478 -0.00051940 0.00075806
0.00271758 0.01209893 0.01259826
0.62562640 13.79756597 -22.29054636
-0.00004238 -0.00007427 -0.00010325
0.00149703 0.01462492 -0.00126079
9.84549676 -5.15811453 -1.68523522
-0.00012118 -0.00095088 -0.00022051
-0.01726618 -0.06706137 0.00186904
9.50777594 -2.71598856 -3.01627139
0.00102487 -0.00040696 -0.00162083
-0.00101815 0.00278733 0.00598062
-18.74446017 -4.16811691 5.28066761
0.00038417 -0.00083540 0.00010779
-0.00271088 -0.00753680 0.00343820
-17.18050164 -3.14421341 3.07054300
-0.00066334 -0.00061499 -0.00031601
-0.01092069 0.00330967 0.01144641
-15.40984701 0.33907903 16.73760630
0.00005421 0.00049740 -0.00041982
-0.00011613 -0.00080763 0.00304211
-13.72551399 1.03912695 18.94745263
0.00014566 0.00004999 0.00017868
-0.01651654 -0.00422412 0.00127343
3.10419535 3.92995615 -4.23484774
0.00001750 0.00058783 0.00068590
0.00176113 -0.01472701 0.00783329
3.25833381 1.05255472 -3.13395795
0.00015708 0.00025835 -0.00031406
0.00544128 0.02842374 -0.00874284
23.12477768 -9.67476823 -10.38131298
0.00091410 -0.00062448 -0.00022357
0.00350450 0.02770233 0.00857874
24.91143880 -7.93382354 -8.63065524
-0.00037961 -0.00030296 -0.00054951
0.00635562 0.00221173 0.00173204
2.41754049 -9.06878113 5.70470688
-0.00013379 -0.00039784 0.00084743
0.00078038 -0.00151086 -0.01851259
2.41769807 -8.24680089 8.34097262
-0.00125511 -0.00030229 0.00018415
-0.01540758 0.01937209 -0.01616483
-3.54141716 -2.84465091 -17.81070566
0.00076396 0.00093446 -0.00068739
-0.00787600 0.01603526 0.00185261
-5.05212371 -0.38477843 -17.04519597
-0.00010250 -0.00039356 -0.00019709
-0.00139335 -0.00434975 0.00811482
1.94207489 4.76081869 -11.99383609
-0.00030827 0.00022292 0.00064053
0.03067362 -0.00506744 0.01748175
1.84450096 4.06306541 -9.25564765
-0.00091436 0.00104971 0.00000486
0.01264413 -0.00281274 -0.00132823
-0.95815231 16.33173463 13.19230143
0.00042018 -0.00061660 0.00046486
-0.01473752 -0.00768243 0.02094258
-2.49643551 17.14682963 15.72238542
0.00027202 -0.00027458 -0.00056185
0.00740861 0.00045005 0.02557992
-1.83150434 1.18223762 -5.56307281
-0.00055675 -0.00004768 0.00058241
0.00178648 -0.00623897 0.01525697
-2.86966516 0.84977638 -8.26287984
-0.00004452 0.00058399 0.00142284
-0.00433034 0.00263322 -0.00287218
-8.20829860 -3.14196394 -4.72157695
0.00044690 0.00063950 0.00110251
-0.00482902 0.00914755 0.00100817
-7.32823071 -0.34753553 -3.91129503
0.00009693 -0.00037197 0.00002521
0.00070237 -0.02199521 -0.00970498
1.20763426 28.25399002 5.76011596
-0.00084178 -0.00028012 0.00063641
0.02165322 0.00195400 -0.01544822
-1.33619697 28.32371982 6.64319932
0.00149113 -0.00064547 0.00036198
-0.00770076 -0.00110388 0.00696375
8.37672914 -9.23967181 -2.10036850
-0.00026574 -0.00061735 0.00059138
-0.01326180 -0.00082807 -0.00366670
10.14140532 -9.96945532 0.16702494
0.00018211 0.00056386 -0.00012981
0.00475354 0.01430935 -0.02062151
-5.97653087 0.38745058 9.24451174
0.00094337 0.00046033 0.00080481
0.01471634 -0.00544007 0.00308831
-8.49131912 -0.17941775 8.17086630
-0.00025748 0.00016048 -0.00074964
-0.01010566 -0.00581897 -0.00323121
19.54740894 11.30016596 7.97895336
-0.00070298 0.00053026 0.00003720
0.01611792 -0.00443142 0.01943899
19.48974009 13.26524932 5.84120470
-0.00001922 -0.00032615 0.00145803
0.00449652 -0.00234669 0.00157883
-2.66031173 -2.37577308 -22.40535693
-0.00027666 -0.00021257 -0.00133138
-0.01143942 0.02026185 0.00475867
-4.92258093 -3.53656198 -24.30448724
-0.00008231 0.00030012 -0.00003691
0.02444838 0.01887892 0.01694448
-12.47152572 9.16422302 9.61347015
0.00008732 -0.00008951 0.00020286
-0.00048832 -0.00132330 -0.00338414
-13.04838107 8.78752772 6.72778946
0.00061753 0.00056535 0.00051308
0.00079269 0.00333824 0.01178988
-12.77418943 7.31444070 -4.64009022
-0.00069509 0.00000142 -0.00011490
0.00159637 0.00816567 0.01751384
-11.66381500 9.04775881 -2.48691736
-0.00069077 -0.00007001 0.00006819
0.00938842 0.04206461 0.00323060
-4.91330220 -17.37588356 19.81459249
-0.00117274 -0.00039087 -0.00078226
0.01023993 0.01304649 0.01629660
-2.05372422 -16.83612256 19.37880087
-0.00049639 0.00099772 -0.00041772
-0.01457575 0.00925709 0.01798784
-3.55482214 5.35515764 -7.05194564
0.00054077 -0.00009961 -0.00044372
0.00420240 0.01304235 -0.00310088
-3.88683478 8.51880900 -6.62211840
-0.00087272 -0.00051850 0.00038476
0.00638308 -0.04070145 -0.03011432
-21.13778972 28.11459789 0.49954785
0.00007450 -0.00062109 0.00098680
-0.00827826 -0.00648716 -0.00159001
-18.90058505 29.54894898 1.33053202
0.00081344 0.00051125 -0.00135299
0.03680120 0.00443331 -0.00024954
8.46941028 2.63817790 6.37419571
-0.00007433 0.00086094 0.00137046
-0.00276575 -0.00831267 -0.01122640
9.20187256 4.85461759 8.07324917
0.00041480 -0.00079664 0.00027195
0.02011293 -0.03448630 -0.00933173
7.21686138 15.55792978 -14.35007722
0.00094910 0.00201291 0.00044405
-0.00023294 -0.00929125 0.00757704
6.86028099 12.71396184 -13.14116938
0.00123986 0.00091387 0.00006313
-0.00846404 0.05522240 -0.00215466
13.20117168 5.14386900 -3.36108080
-0.00020805 -0.00099756 0.00103388
-0.01124357 0.00729585 0.00086550
13.25969409 3.11659717 -1.34072929
-0.00097709 -0.00100836 -0.00053378
-0.02235801 -0.00844112 0.04331324
-5.14826671 9.63845145 -0.25616228
0.00074356 0.00034014 -0.00114923
0.02882368 -0.03077791 -0.00108792
-7.88409875 10.17703052 -0.37435625
0.00087566 -0.00056315 -0.00054464
-0.00147795 0.00620875 0.00752170
4.65949173 13.05995085 2.19644650
-0.00001753 0.00069586 -0.00043511
-0.00566785 -0.00713155 -0.01362981
7.67183262 12.15815591 2.59316826
-0.00002350 0.00068859 0.00044786
-0.04678794 0.02867263 0.01456621
21.08853515 -12.91508929 -10.31802840
0.00108823 -0.00021618 -0.00029201
-0.01963084 -0.01582056 0.01985987
22.41873546 -13.61058436 -12.80862018
0.00082436 0.00100513 0.00054529
0.00080221 0.00605644 -0.00115335
17.94962875 -5.96931756 1.92193655
-0.00076780 0.00005065 -0.00072977
-0.02905864 0.00077973 0.02742238
16.37895044 -8.02651661 3.02660892
0.00033271 -0.00020900 -0.00084818
-0.01412098 -0.02642874 0.00036327
14.33830316 8.14629461 10.81331754
0.00018138 0.00025490 -0.00024232
-0.02004453 0.02079822 0.01279863
16.67500157 6.55471782 10.87834245
0.00034915 -0.00014551 -0.00034319
-0.00637398 0.00435468 -0.00434086
1.78091774 -13.36898307 15.03009767
-0.00165881 -0.00051289 0.00055677
0.00604955 0.01289863 0.01253845
3.59987787 -12.32849157 17.41362260
-0.00018944 -0.00026073 0.00017364
-0.01402804 -0.00596490 -0.02437144
-3.47651904 -2.75822896 -9.93284621
0.00009439 -0.00005078 0.00056853
-0.00026802 0.02058393 -0.01042820
-1.98943439 -0.85867471 -11.66485652
-0.00036880 -0.00134804 -0.00010707
0.02921307 0.00360087 -0.01527489
15.15302760 -7.71384501 -11.47552137
0.00017556 -0.00062208 0.00000657
-0.01003953 -0.00971556 0.04895498
16.98606886 -7.00463888 -9.23241645
-0.00009685 -0.00036851 -0.00059001
-0.00357975 -0.00250891 0.01235089
7.55564555 -3.01940179 5.61092222
-0.00041073 -0.00040068 -0.00011505
-0.01945385 0.00417843 -0.00369380
10.25251513 -3.81405745 4.98609274
0.00049059 -0.00120806 0.00104438
0.00791745 0.00249454 -0.01114316
-21.11443626 1.02544771 22.74331681
0.00083513 -0.00048237 0.00016832
-0.01085336 0.00861208 0.02476029
-23.10690798 0.68323684 25.04948431
-0.00096824 0.00000531 -0.00053080
0.01248149 0.00578546 -0.00771597
25.67387802 -2.54517025 -7.97297533
0.00026053 0.00063983 0.00018463
0.00612593 -0.00811052 0.00931576
23.65914676 -0.65560717 -7.28057169
0.00005426 -0.00036661 -0.00043270
0.00199522 -0.00112899 0.00572096
11.21917742 -12.98373621 -8.69176843
-0.00048036 0.00073686 -0.00048596
-0.00324403 0.01288114 0.00201235
12.75049877 -10.41046258 -9.46831330
0.00034331 -0.00093258 -0.00033159
0.00704339 0.00316694 0.00611978
-5.63437196 -10.37580874 18.16993575
-0.00055173 0.00000225 0.00009302
0.00807120 -0.00415883 0.01778477
-6.17039944 -9.94900586 15.46720861
0.00114046 -0.00032792 0.00038102
0.01635247 0.00198522 -0.00899501
9.18770434 1.26129911 -31.75779735
0.00015285 0.00008044 0.00005658
0.00334490 -0.01910180 -0.00957762
6.61268432 2.70487521 -31.74006524
0.00039650 0.00028370 -0.00141476
0.01459531 -0.00421017 0.00453157
11.40860977 17.98983091 13.11306026
-0.00000818 -0.00089017 -0.00048301
-0.00494793 -0.01649288 0.02282584
11.89647445 15.42555340 14.59489861
0.00029545 -0.00076406 -0.00047099
-0.00358010 0.01981531 -0.00554712
30.90764266 5.43635283 -7.86770293
0.00067679 -0.00019266 0.00015760
-0.00099591 0.00481658 -0.00425426
28.69935112 7.41402085 -7.44403786
0.00060046 -0.00043593 -0.00038909
0.05177401 0.00333518 -0.00128968
-8.40873157 4.83612872 5.64956456
0.00006657 -0.00006937 0.00003374
0.00732502 0.00453139 0.00194936
-10.73395040 10.14081940 3.37753926
0.00002647 -0.00003019 -0.00009553
-0.00621713 -0.00548497 0.00644558
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08410099
0.32681446
435.46387815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3554632133 (a.u.)
total exchange computation time: 2.8296461105 s
-154.0606131982
-931.41386141
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3552115556 (a.u.)
total exchange computation time: 2.8273360729 s
-154.0633457445
Anderson extrapolation: theta=1.3442891246 (1.3442891246)
-931.41408842
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3547935025 (a.u.)
total exchange computation time: 2.8278040886 s
-154.0675009399
Anderson extrapolation: theta=0.0500990603 (0.0500990603)
-931.41422315
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3547054173 (a.u.)
total exchange computation time: 2.8290169239 s
-154.0681710729
Anderson extrapolation: theta=1.9012877052 (1.9012877052)
-931.41422799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3545114988 (a.u.)
total exchange computation time: 2.8272309303 s
-154.0695870157
Anderson extrapolation: theta=0.2155805442 (0.2155805442)
-931.41423305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3544588004 (a.u.)
total exchange computation time: 2.8278639317 s
-154.0699211799
Anderson extrapolation: theta=1.8918585039 (1.8918585039)
-931.41423400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3543731782 (a.u.)
total exchange computation time: 2.8287439346 s
-154.0704055234
Anderson extrapolation: theta=0.2861431778 (0.2861431778)
-931.41423519
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3543643895 (a.u.)
total exchange computation time: 2.8278930187 s
-154.0703943564
Anderson extrapolation: theta=1.3098736224 (1.3098736224)
-931.41423547
-211.895186 76.609262 -36.308996
566.482586 1066.316843 -418.697329
354.587400 1142.926104 -455.006325
1280.251171
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3543656855 (a.u.)
total exchange computation time: 2.8267648220 s
678.56256663
-1083.24483209
89.81129361
-389.42676246
-174.76213569
77.98956748
551.60419304
0.00000000
-931.41423568
5.45927550 -31.29865916 -3.76549744
-0.00036746 -0.00024344 0.00007036
-0.01116569 0.01296593 -0.01359409
-11.87121779 -0.97053277 -11.83097915
-0.00002838 0.00010205 0.00002444
0.00941884 -0.01012696 0.01645688
-37.87252708 2.35436927 3.26220874
0.00006055 0.00027780 -0.00032002
-0.01473005 0.00776791 0.00192415
-9.89936685 -2.71275722 2.49926344
-0.00050724 0.00024552 0.00006635
-0.02873878 0.02793985 -0.00518509
0.84972611 -0.30511859 8.94658990
0.00025644 -0.00023525 0.00004601
-0.02805498 -0.03041065 -0.02820553
-32.39668267 2.72544442 1.80194704
0.00002629 0.00001166 0.00002166
-0.02036859 0.03573209 -0.00501470
14.06480437 13.79844584 -14.49587391
0.00005912 0.00019217 -0.00041197
-0.00380709 -0.00331471 0.00315221
-4.23540125 7.04829113 3.99798578
-0.00054790 -0.00014958 0.00004507
0.00030685 -0.00162493 0.00737990
5.86149382 16.69607481 -8.36708823
0.00024979 -0.00011987 0.00021172
0.01511676 -0.01949516 -0.01506446
6.75960835 7.28806961 -21.01498681
-0.00017289 0.00012817 0.00004372
-0.02202148 -0.01135626 0.01429949
23.35190281 17.10790838 -2.12952182
-0.00012013 -0.00005043 0.00026680
-0.01293611 -0.01090826 0.00967259
1.42091210 12.94924306 -20.89003810
0.00009210 0.00009601 0.00022215
-0.00725612 -0.03389176 -0.01513944
10.43849183 -3.53602231 -1.66543535
0.00012489 0.00025290 -0.00000568
0.00600048 0.04242838 -0.02330236
-17.81405244 -2.68965353 4.75522239
0.00021233 0.00004805 0.00014431
0.00606291 -0.00649156 -0.01992854
-15.27662339 0.10392603 18.55506717
0.00011526 -0.00014601 -0.00012709
0.02709871 0.00223032 -0.00884740
2.63114682 2.79538842 -2.86060822
-0.00047879 0.00014312 0.00020250
-0.01306923 -0.00672347 0.00138851
23.45293034 -7.90601306 -9.70047689
0.00015465 -0.00013253 -0.00017023
-0.00959787 -0.02607930 -0.01752506
1.52525708 -7.87813359 6.72737255
0.00035660 0.00013313 0.00015443
0.00991923 -0.00302818 0.02799607
-3.61807050 -0.99978972 -18.02062596
0.00038511 0.00026456 0.00032420
0.01731112 -0.01039721 -0.00997665
3.13464161 4.25455547 -10.56432080
-0.00030054 -0.00006736 0.00024120
-0.04480694 0.00609762 -0.01414437
-2.63226580 16.83512251 13.98960835
-0.00007722 0.00010166 0.00015942
0.00775503 0.00350650 -0.05444558
-2.27435334 2.11444059 -7.02693459
-0.00002109 0.00002608 -0.00009817
0.00551606 0.00634049 -0.00224176
-6.76835409 -2.03585244 -4.50835111
-0.00029389 -0.00006143 -0.00018007
0.00929879 0.01507148 0.00910545
0.36800128 28.30012381 7.34862584
-0.00013731 0.00015685 -0.00008098
-0.00914845 -0.00412240 0.01150063
10.10450319 -9.13916833 -1.53594560
0.00024074 -0.00004694 -0.00019048
0.01159330 -0.01198976 0.01755736
-6.89480831 0.51304041 7.66705382
-0.00030938 0.00030975 0.00022176
-0.00158305 0.01226741 0.00314946
18.80679399 11.66199024 6.39487743
0.00033036 -0.00013166 0.00015146
-0.02396579 0.00127559 -0.02229286
-3.34541201 -3.79387022 -23.24554622
-0.00010237 0.00035331 0.00014823
-0.02562024 -0.03929804 -0.02726103
-13.63924821 8.34246034 8.44036324
-0.00004113 0.00004702 0.00027835
0.00262460 -0.00118426 -0.00952669
-12.21192816 7.40407825 -2.81185350
-0.00028037 -0.00024737 -0.00043216
-0.01053485 -0.04375182 -0.01841477
-3.46214719 -16.38508321 20.53082275
-0.00024788 -0.00022548 0.00018124
-0.00156014 -0.02027331 -0.02894720
-3.48824199 7.02660927 -7.87099775
-0.00049310 0.00035071 0.00014111
-0.00716490 0.03541191 0.02518310
-20.67745369 29.66611390 1.32193304
-0.00008230 0.00028968 -0.00001875
-0.01948580 0.00156335 0.00366429
9.87795033 3.10569507 7.43889457
-0.00000396 -0.00010040 -0.00021619
-0.01276399 0.05672515 0.02352940
6.38754086 14.60348824 -12.97481413
0.00000249 0.00002513 0.00047414
0.01899174 -0.04207418 -0.00992155
14.13022477 3.72103524 -2.74196510
0.00007552 -0.00015482 0.00010619
0.03599249 -0.00737985 -0.04035271
-6.25292107 10.99667703 -0.35547467
0.00004307 -0.00021888 0.00017651
-0.01843820 0.02974998 -0.01058687
6.19635483 13.30784219 3.13231733
0.00028356 0.00026573 0.00000659
0.04614252 -0.01542605 0.00543857
21.86629918 -12.18211879 -11.74756843
-0.00014323 0.00004360 -0.00021782
0.01196450 0.01206269 -0.01181797
16.75905589 -6.32395587 3.40685875
0.00025066 0.00015529 0.00007972
0.04102885 0.02420953 -0.03755896
15.33782992 7.12522009 9.73697565
0.00014259 -0.00029797 -0.00036045
0.02283982 -0.02415558 -0.01030852
3.00698463 -13.73899150 16.32732938
-0.00002227 0.00021393 -0.00035986
0.01415354 -0.01095449 0.00699381
-3.57055389 -1.08247454 -10.85803301
-0.00002910 -0.00030521 -0.00015964
-0.03147507 -0.01993629 0.03368927
15.35217485 -7.85493514 -9.49399259
-0.00001234 0.00021978 -0.00002025
-0.00491006 0.00732810 -0.05969516
9.09993613 -3.61594630 6.36440020
0.00057122 -0.00045378 -0.00009237
-0.00769109 -0.00665565 0.02382068
-21.56922722 1.58741166 24.46935176
-0.00019377 -0.00001080 -0.00012613
-0.00278412 -0.01082961 -0.01370689
24.90819533 -1.74572134 -6.49894048
-0.00001027 -0.00004045 -0.00011896
-0.00925610 0.00744643 -0.01423303
11.81942593 -11.85999085 -10.01984802
0.00032274 -0.00009137 -0.00002224
-0.00756674 -0.01929708 -0.01543281
-4.74691267 -10.36276704 16.57231008
0.00013428 -0.00026080 -0.00015295
-0.01330556 -0.00845813 0.00598519
8.21231590 2.44273604 -30.81742479
0.00012665 0.00030391 -0.00048462
-0.03129114 0.01788776 0.00976612
10.94437373 17.01543214 14.66742094
0.00013460 -0.00023814 -0.00021685
0.01300037 0.00275966 -0.01750989
30.66799222 7.26730836 -7.52086813
-0.00017092 -0.00004711 0.00035240
-0.04810296 -0.00912388 0.00498920
5.72093073 -30.09858238 -5.21229471
-0.00056379 0.00040277 -0.00018585
-0.00926154 -0.01327622 0.01734102
3.93938764 -30.75531372 -2.84496053
0.00060946 0.00071869 0.00021572
0.01343882 0.00391659 -0.00746124
-12.60260182 -1.77878955 -13.33495626
-0.00042059 -0.00032813 0.00033692
0.00155196 -0.00952794 -0.00269576
-11.67496648 0.74628690 -12.36484485
-0.00011317 0.00082122 0.00029556
0.00015557 0.01397185 -0.01497374
-38.09926656 4.00947949 2.50313759
0.00066834 -0.00018037 0.00119821
0.01234965 0.00946759 -0.00428372
-39.65683201 1.93927040 3.34918862
0.00028880 -0.00031750 0.00033656
-0.00061966 -0.01640038 0.00437220
-9.86623608 -3.47342895 0.84563515
-0.00064109 -0.00023425 0.00027482
-0.00666835 0.00314439 -0.00696621
-8.59969750 -3.42370411 3.39948596
0.00001402 -0.00019916 0.00042460
0.04869546 -0.02437824 0.02637536
0.21670522 -0.70224878 7.18491768
0.00068647 -0.00022901 -0.00065459
0.02175560 0.01687849 0.03396373
1.89250110 1.15227133 8.97531897
-0.00027629 0.00003436 -0.00027394
0.00772045 0.01070798 -0.00776133
-32.41457353 0.97519654 2.24474605
-0.00099273 -0.00061879 -0.00093503
-0.00835433 -0.02210990 0.00327974
-34.16482710 3.40201143 1.80645696
0.00034702 0.00010822 -0.00086576
0.02914640 -0.02180708 0.00232266
12.72490625 12.86599748 -15.35570755
0.00066521 0.00127846 0.00074688
0.00629870 0.00421754 0.00348008
15.55804913 12.74836828 -14.71906221
0.00086260 -0.00045397 0.00113674
0.00164674 -0.00068120 -0.00934371
-3.94440838 8.79729837 4.48410935
0.00005663 -0.00001205 -0.00095701
-0.00300435 0.00483941 0.00795325
-3.63670620 6.99377425 2.28882367
0.00015535 0.00029450 -0.00131244
0.00392143 -0.01085348 -0.00905233
6.13083313 15.77017047 -10.05501273
0.00004794 -0.00030826 0.00075151
-0.00562181 0.01816710 0.02091138
7.63881895 16.96612750 -7.83323101
0.00008453 0.00030958 0.00052630
-0.00879163 -0.00079563 -0.00357974
7.67061469 7.23583115 -22.58889243
-0.00073793 0.00037795 0.00052017
0.01302588 0.00153130 -0.01319908
7.81795176 8.13137520 -19.79525803
-0.00018360 0.00132656 -0.00067169
0.00900078 0.00468861 -0.00138406
21.64263397 17.75496502 -2.50406500
-0.00040248 -0.00050931 -0.00017497
0.00911034 -0.00733547 0.00843153
24.45487004 17.81126603 -3.33479164
-0.00051584 -0.00032494 -0.00017308
0.01333967 0.01368036 -0.01988300
1.15570596 11.13289785 -21.33046729
-0.00041251 -0.00046373 0.00081029
0.00328987 0.01515224 0.01296688
0.62503653 13.79690001 -22.29213367
-0.00003452 -0.00001686 -0.00010555
0.00234970 0.01348126 0.00013242
9.84314997 -5.17443262 -1.68848557
-0.00018169 -0.00119777 -0.00021279
-0.01235564 -0.05379618 0.00190760
9.52311779 -2.72200758 -3.04040062
0.00102373 -0.00039877 -0.00159123
0.00046016 0.00122130 0.00851125
-18.73878069 -4.18087889 5.28238986
0.00037726 -0.00085809 0.00012071
-0.00067228 -0.00357020 0.00288562
-17.19078634 -3.15333677 3.06615358
-0.00070778 -0.00059916 -0.00026662
-0.01083567 0.00443944 0.01273328
-15.40903748 0.34651535 16.73140214
0.00005428 0.00049350 -0.00040197
0.00015433 -0.00110380 0.00569705
-13.72383526 1.03974732 18.95017188
0.00007619 0.00003137 0.00018329
-0.01748765 -0.00489054 0.00098177
3.10451176 3.93832229 -4.22431918
0.00002453 0.00052797 0.00071790
0.00168099 -0.01457137 0.00782819
3.26085674 1.05730093 -3.13893682
0.00017839 0.00037578 -0.00034875
0.00499006 0.02906233 -0.00823464
23.13859657 -9.68328652 -10.38440360
0.00092691 -0.00050825 -0.00018800
0.00276775 0.02919387 0.00883028
24.90593936 -7.93830021 -8.63884478
-0.00034466 -0.00029311 -0.00053559
0.01075186 0.00261205 0.00508039
2.41555757 -9.07479495 5.71685107
-0.00012826 -0.00040682 0.00076896
0.00192601 -0.00288539 -0.01990084
2.39839927 -8.25074156 8.34323952
-0.00131317 -0.00022414 0.00012545
-0.01301237 0.01888018 -0.01256669
-3.53019912 -2.83014258 -17.82095976
0.00073229 0.00098859 -0.00067846
-0.00762653 0.01046147 0.00252069
-5.05370386 -0.39081508 -17.04790365
-0.00010940 -0.00041022 -0.00016280
-0.00198567 -0.00380925 0.00867046
1.93839080 4.76400726 -11.98369245
-0.00018351 0.00020251 0.00070818
0.03039710 -0.00492288 0.01563592
1.83117309 4.07872481 -9.25561550
-0.00086021 0.00103725 -0.00000025
0.01386283 -0.00328660 -0.00117105
-0.95230118 16.32225017 13.19991605
0.00035538 -0.00064648 0.00055063
-0.01698379 -0.00694285 0.02104129
-2.49212817 17.14272470 15.71474154
0.00030251 -0.00027032 -0.00044328
0.00751660 0.00163519 0.03246182
-1.83980080 1.18133127 -5.55386907
-0.00055114 -0.00006773 0.00063806
0.00095583 -0.00357700 0.01198069
-2.87046564 0.85861687 -8.24162530
-0.00006763 0.00058366 0.00139864
-0.00698236 -0.00279412 -0.00897295
-8.20174315 -3.13209107 -4.70500836
0.00041304 0.00066513 0.00110418
-0.01174085 0.00339645 -0.00019011
-7.32675523 -0.35378907 -3.91121423
0.00009884 -0.00045738 -0.00001297
0.00023159 -0.01981321 -0.00898543
1.19567102 28.24984812 5.76918879
-0.00074317 -0.00027267 0.00055956
0.02662113 0.00169021 -0.02217289
-1.31406606 28.31400390 6.64884247
0.00143497 -0.00064920 0.00038369
-0.01978854 -0.00071874 0.00366199
8.37233671 -9.24895739 -2.09161020
-0.00031553 -0.00061967 0.00057627
-0.01111039 -0.00031059 -0.00372716
10.14428257 -9.96055892 0.16444588
0.00020287 0.00062058 -0.00021070
0.00541072 0.01345578 -0.01897549
-5.96192943 0.39418888 9.25667851
0.00099216 0.00043744 0.00080364
0.00916889 -0.00576588 -0.00366030
-8.49549098 -0.17718888 8.15952274
-0.00030021 0.00013535 -0.00075935
-0.01080944 -0.00648145 -0.00152490
19.53735811 11.30798414 7.98010705
-0.00063349 0.00050802 0.00012637
0.01789963 -0.00645848 0.02421067
19.48958956 13.26028517 5.86312346
0.00000258 -0.00032562 0.00145918
0.00617465 0.00260728 -0.00101612
-2.66481219 -2.37834072 -22.42518179
-0.00031430 -0.00011224 -0.00130173
-0.00698386 0.02885026 0.00975553
-4.92306640 -3.53148171 -24.30452172
0.00001828 0.00037643 0.00003232
0.02479070 0.01847703 0.01694410
-12.47023087 9.16283989 9.61640936
0.00008488 -0.00009506 0.00018990
-0.00070686 -0.00139721 -0.00296202
-13.03909391 8.79611024 6.73584691
0.00061938 0.00057775 0.00056132
0.00011601 0.00273340 0.01182551
-12.78456685 7.31471228 -4.64127702
-0.00068852 0.00003488 -0.00004542
0.00161725 0.00821211 0.01649406
-11.67388887 9.04799766 -2.48579553
-0.00065373 0.00009786 0.00008062
0.00874336 0.04011047 0.00285589
-4.93057948 -17.38134681 19.80335797
-0.00112156 -0.00033164 -0.00071032
0.01481226 0.01594804 0.01891838
-2.06161672 -16.82087308 19.37308631
-0.00055433 0.00103440 -0.00034505
-0.01378738 0.00869977 0.01758136
-3.54658182 5.35406309 -7.05869639
0.00055724 -0.00004533 -0.00045653
0.00385940 0.01353071 -0.00317178
-3.89972996 8.50978430 -6.61726983
-0.00084652 -0.00068125 0.00026362
0.00643905 -0.03896618 -0.02918282
-21.13692587 28.10508270 0.51430109
0.00004138 -0.00064375 0.00098243
-0.00793529 -0.00460338 -0.00054768
-18.88725572 29.55675359 1.31022950
0.00094766 0.00053062 -0.00135385
0.02890060 0.00504786 -0.00016875
8.46821055 2.65083734 6.39440856
-0.00009800 0.00082066 0.00131374
-0.00881950 -0.01140523 -0.01653930
9.20871084 4.84161121 8.07704242
0.00049618 -0.00093177 0.00023568
0.01972514 -0.03165818 -0.00841990
7.23109071 15.58783870 -14.34318423
0.00094026 0.00196478 0.00048812
-0.00409191 -0.01426842 0.01399433
6.87861950 12.72936206 -13.14028849
0.00120564 0.00113329 0.00005399
-0.00828447 0.05218397 -0.00231844
13.19770636 5.12912918 -3.34554614
-0.00026062 -0.00095564 0.00103091
-0.01448739 0.01322419 -0.00231722
13.24435267 3.10121311 -1.34740868
-0.00106342 -0.00104187 -0.00036202
-0.01990201 -0.00796271 0.04076080
-5.13623004 9.64261049 -0.27343411
0.00086132 0.00021481 -0.00115441
0.02882176 -0.03057271 -0.00144837
-7.87100912 10.16877347 -0.38229532
0.00086133 -0.00054222 -0.00051374
-0.00553604 0.00404005 0.00760235
4.65905511 13.07017018 2.18950222
-0.00003500 0.00066722 -0.00048706
-0.00288524 -0.00688835 -0.01180022
7.67004634 12.16936345 2.60033250
-0.00020943 0.00080142 0.00050478
-0.04422408 0.02655749 0.01329560
21.10425699 -12.91881683 -10.32179992
0.00100451 -0.00028356 -0.00020431
-0.02134928 -0.01716193 0.02306582
22.43112538 -13.59532183 -12.80047617
0.00083035 0.00102159 0.00053365
0.00213320 0.00199938 -0.00454654
17.93722137 -5.96853387 1.91183027
-0.00088425 0.00005578 -0.00061720
-0.02794514 0.00172888 0.02768317
16.38350832 -8.03046152 3.01389742
0.00027642 -0.00030771 -0.00084339
-0.01343097 -0.02188679 0.00197891
14.34040960 8.15075549 10.81007489
0.00010381 0.00033526 -0.00019426
-0.01792395 0.01853682 0.01072586
16.68004356 6.55266859 10.87306157
0.00032168 -0.00012719 -0.00036181
-0.00707675 0.00461502 -0.00477103
1.75622101 -13.37628121 15.03883347
-0.00163073 -0.00046030 0.00061208
0.00769398 0.01284789 0.01453351
3.59660634 -12.33258523 17.41548044
-0.00024724 -0.00028283 0.00007490
-0.01426388 -0.00485655 -0.02396380
-3.47511139 -2.75835993 -9.92463774
0.00009218 0.00003373 0.00052517
-0.00081438 0.02078408 -0.01079924
-1.99407124 -0.87878497 -11.66693071
-0.00024403 -0.00133169 -0.00017255
0.03186337 0.00440172 -0.01677459
15.15535340 -7.72347388 -11.47392268
0.00013377 -0.00066014 0.00020546
-0.01041589 -0.00891835 0.04840454
16.98450649 -7.01024338 -9.24088817
-0.00010700 -0.00037593 -0.00053819
-0.00139274 -0.00112486 0.01301883
7.54888850 -3.02528395 5.60908335
-0.00047782 -0.00038801 -0.00012628
-0.01338627 0.00202116 -0.00180784
10.26011659 -3.83210187 5.00141696
0.00052933 -0.00119888 0.00098872
0.01104765 0.00199974 -0.01610275
-21.10224184 1.01847609 22.74660032
0.00078985 -0.00044678 0.00027009
-0.01131099 0.00880716 0.02505948
-23.12104917 0.68349385 25.04128588
-0.00091234 0.00003152 -0.00056377
0.01488333 0.00704230 -0.00842380
25.67797368 -2.53582140 -7.96992041
0.00028841 0.00060347 0.00021799
0.00752187 -0.00968787 0.00701527
23.66002182 -0.66114093 -7.28688690
0.00006097 -0.00036982 -0.00040947
0.00129070 -0.00044016 0.00564924
11.21187255 -12.97228860 -8.69899619
-0.00049602 0.00078381 -0.00047123
-0.00442016 0.01010243 0.00519644
12.75586427 -10.42435427 -9.47309962
0.00037804 -0.00090960 -0.00030254
0.00995703 0.00808277 0.00810200
-5.64240063 -10.37590239 18.17187601
-0.00051413 -0.00001462 0.00015842
0.01033541 -0.00409850 0.01422817
-6.15279152 -9.95386376 15.47264833
0.00119463 -0.00031610 0.00033386
0.01016590 0.00380088 -0.01409076
9.19009955 1.26192037 -31.75724208
0.00016787 0.00000091 0.00001711
0.00401102 -0.01982762 -0.00974757
6.61907901 2.70900167 -31.76114778
0.00045797 0.00026650 -0.00139373
0.01549664 -0.00421019 0.00576124
11.40833545 17.97597304 13.10651451
-0.00002790 -0.00095533 -0.00039144
-0.00470487 -0.01540712 0.02199929
11.90079643 15.41469963 14.58766381
0.00027710 -0.00067725 -0.00049263
-0.00539847 0.02268142 -0.00504898
30.91776394 5.43361053 -7.86546932
0.00067142 -0.00016962 0.00014080
-0.00163196 0.00645914 -0.00397025
28.70994450 7.40758409 -7.44991372
0.00080415 -0.00042169 -0.00039379
0.04793428 0.00363571 -0.00101082
-8.40771336 4.83510035 5.65007597
0.00006920 -0.00006776 0.00003441
0.00739877 0.00447682 0.00178691
-10.73356419 10.14035703 3.37611749
0.00002501 -0.00003146 -0.00009404
-0.00639056 -0.00549696 0.00640449
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08416225
0.33007343
439.80630107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3630618684 (a.u.)
total exchange computation time: 2.8286840916 s
-154.0926903375
-931.41658553
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3627530479 (a.u.)
total exchange computation time: 2.8294231892 s
-154.0958739987
Anderson extrapolation: theta=1.3467255706 (1.3467255706)
-931.41680445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3622500770 (a.u.)
total exchange computation time: 2.8298039436 s
-154.1006946165
Anderson extrapolation: theta=0.0502172301 (0.0502172301)
-931.41693447
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3621525491 (a.u.)
total exchange computation time: 2.8287169933 s
-154.1014329678
Anderson extrapolation: theta=1.8966543552 (1.8966543552)
-931.41693911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3619398561 (a.u.)
total exchange computation time: 2.8297729492 s
-154.1029845261
Anderson extrapolation: theta=0.2139310771 (0.2139310771)
-931.41694391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3618828619 (a.u.)
total exchange computation time: 2.8291459084 s
-154.1033498802
Anderson extrapolation: theta=1.8891158411 (1.8891158411)
-931.41694479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3617896933 (a.u.)
total exchange computation time: 2.8284330368 s
-154.1038892914
Anderson extrapolation: theta=0.2867659731 (0.2867659731)
-931.41694588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3617792049 (a.u.)
total exchange computation time: 2.8286941051 s
-154.1038904467
Anderson extrapolation: theta=1.3163053632 (1.3163053632)
-931.41694614
-211.880925 76.547876 -36.259017
566.507616 1066.311280 -418.684020
354.626691 1142.859157 -454.943038
1280.179796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3617787098 (a.u.)
total exchange computation time: 2.8278670311 s
678.66178847
-1083.48180399
89.81256098
-389.26649873
-174.78121433
78.12268026
551.60419304
0.00000000
-931.41694632
5.45372052 -31.30226068 -3.76449453
-0.00037248 -0.00023630 0.00006240
-0.00833457 0.01476960 -0.01736051
-11.87160719 -0.96904103 -11.83054908
-0.00002352 0.00009787 0.00003257
0.00947561 -0.00612866 0.01514567
-37.87167562 2.35856621 3.25741587
0.00005338 0.00027985 -0.00031803
-0.01314878 0.00020939 0.00580178
-9.90708630 -2.70896669 2.50023862
-0.00052020 0.00025892 0.00006483
-0.02164853 0.02419027 -0.00071133
0.85346454 -0.30876470 8.94717130
0.00024190 -0.00025105 0.00003081
-0.02850256 -0.03102969 -0.03091644
-32.39636689 2.72575720 1.80225253
0.00001621 0.00002888 0.00001918
-0.01884756 0.03120027 -0.00460853
14.06567645 13.80131556 -14.50204129
0.00006057 0.00019123 -0.00040889
0.00943672 -0.00031511 0.00882437
-4.24361859 7.04604110 3.99869024
-0.00054661 -0.00015033 0.00004580
0.00472586 -0.00127162 -0.00452197
5.86529901 16.69420152 -8.36397049
0.00025735 -0.00012959 0.00020464
0.01427731 -0.01827380 -0.01247479
6.75693000 7.28994838 -21.01427585
-0.00018460 0.00012256 0.00005219
-0.02350843 -0.01046655 0.01863715
23.35005097 17.10710978 -2.12548252
-0.00012705 -0.00005591 0.00027165
-0.01397406 -0.01040330 0.00917661
1.42226555 12.95055250 -20.88676419
0.00008808 0.00007826 0.00021396
-0.00837013 -0.03514532 -0.01673791
10.44038840 -3.53206517 -1.66561042
0.00012629 0.00027131 -0.00001833
-0.00057933 0.02917541 -0.02588883
-17.81084405 -2.68895788 4.75731010
0.00021495 0.00004339 0.00013403
0.00412686 -0.01162732 -0.02004702
-15.27478992 0.10174456 18.55312672
0.00012919 -0.00014463 -0.00013226
0.02704335 0.00310088 -0.01125404
2.62391449 2.79750924 -2.85756534
-0.00048535 0.00013949 0.00020311
-0.01243408 -0.00737245 0.00095986
23.45521313 -7.90810162 -9.70309800
0.00014879 -0.00014624 -0.00018002
-0.01321497 -0.02723248 -0.02051516
1.53064438 -7.87614840 6.72979699
0.00036081 0.00013204 0.00016797
0.00644117 -0.00118681 0.02466848
-3.61222706 -0.99586139 -18.01580140
0.00039398 0.00026070 0.00031883
0.01719265 -0.00460483 -0.01089792
3.12996068 4.25356860 -10.56075743
-0.00032358 -0.00006421 0.00023442
-0.04478024 0.00613343 -0.01219089
-2.63339420 16.83666095 13.99178961
-0.00007269 0.00010301 0.00013003
0.00986749 0.00175292 -0.05984293
-2.27464840 2.11485623 -7.02841573
-0.00001724 0.00003019 -0.00009677
0.00943814 0.00963409 0.00766617
-6.77272656 -2.03671575 -4.51101707
-0.00028713 -0.00005287 -0.00017534
0.01698755 0.01820940 0.00928307
0.36590633 28.30246066 7.34745554
-0.00013985 0.00015471 -0.00007258
-0.00072669 -0.00418304 0.02116935
10.10815898 -9.13991870 -1.53873500
0.00024580 -0.00005292 -0.00018208
0.00809570 -0.01125726 0.01510478
-6.89945504 0.51773393 7.67039240
-0.00030865 0.00031620 0.00022455
0.00438965 0.01282470 0.00767303
18.81165696 11.66002028 6.39706336
0.00031727 -0.00013176 0.00013964
-0.02692934 -0.00165383 -0.02366429
-3.34704634 -3.78872209 -23.24342799
-0.00011660 0.00033112 0.00013307
-0.02971301 -0.04702055 -0.03168989
-13.63985502 8.34316113 8.44450168
-0.00003958 0.00004656 0.00027332
0.00338700 -0.00061237 -0.00999877
-12.21617434 7.40019900 -2.81840693
-0.00028535 -0.00026893 -0.00044096
-0.00883632 -0.04011617 -0.01578728
-3.46587144 -16.38854362 20.53342975
-0.00025001 -0.00023630 0.00016605
-0.00671449 -0.02178660 -0.03013516
-3.49566611 7.03200655 -7.86878401
-0.00049659 0.00036813 0.00015364
-0.00640742 0.03232489 0.02356277
-20.67876338 29.67046519 1.32166585
-0.00009023 0.00028979 -0.00001718
-0.01136044 -0.00115512 0.00244973
9.87784167 3.10440789 7.43574244
-0.00000880 -0.00007141 -0.00020313
-0.00606024 0.05602286 0.02728233
6.38765147 14.60370291 -12.96774022
0.00001306 0.00000579 0.00046764
0.02212165 -0.03313179 -0.01537545
14.13149637 3.71868443 -2.74052786
0.00009396 -0.00016026 0.00008720
0.03572464 -0.01375894 -0.03351578
-6.25234620 10.99350863 -0.35286782
0.00003497 -0.00020345 0.00017114
-0.01304363 0.03022944 -0.01030130
6.20078626 13.31176870 3.13243723
0.00030552 0.00025847 0.00000924
0.03925105 -0.01282436 0.00483342
21.86419681 -12.18141825 -11.75088125
-0.00013723 0.00005113 -0.00022350
0.01139654 0.01723255 -0.01029997
16.76297413 -6.32153314 3.40790961
0.00027111 0.00016611 0.00006009
0.03845942 0.01788211 -0.03874820
15.34005685 7.12065738 9.73152908
0.00015372 -0.00030970 -0.00036497
0.02045222 -0.02146771 -0.00725228
3.00670513 -13.73582486 16.32195838
-0.00001546 0.00020796 -0.00035689
0.01232690 -0.01222933 0.00455921
-3.57111185 -1.08712967 -10.86029769
-0.00004558 -0.00031552 -0.00014214
-0.03258859 -0.02015640 0.03436935
15.35197086 -7.85161012 -9.49452654
-0.00001535 0.00022300 -0.00005077
-0.00682505 0.00519491 -0.05899173
9.10847483 -3.62277866 6.36310652
0.00056468 -0.00045657 -0.00007934
-0.01774450 -0.00419169 0.02684040
-21.57214444 1.58720793 24.46740687
-0.00019566 -0.00001662 -0.00013292
-0.00459431 -0.01183116 -0.01266305
24.90800552 -1.74629937 -6.50077983
-0.00001521 -0.00003643 -0.00012564
-0.00992486 0.00818145 -0.01173121
11.82423787 -11.86143588 -10.02024121
0.00031847 -0.00010177 -0.00003141
-0.00903485 -0.02112508 -0.02022294
-4.74494972 -10.36671174 16.57003895
0.00012849 -0.00026560 -0.00014751
-0.00921258 -0.01018654 0.01517080
8.21409494 2.44736376 -30.82465642
0.00011038 0.00031312 -0.00047983
-0.03198403 0.01792511 0.00885051
10.94644290 17.01187062 14.66410063
0.00014158 -0.00023766 -0.00022558
0.01412009 -0.00087321 -0.01643374
30.66524283 7.26656653 -7.51556287
-0.00019424 -0.00005225 0.00035462
-0.04257415 -0.01086979 0.00364802
5.71219000 -30.09294766 -5.21455105
-0.00060102 0.00034417 -0.00011112
-0.00895996 -0.01540991 0.01923843
3.94894138 -30.74441334 -2.84195330
0.00065842 0.00073521 0.00018919
0.01052636 0.00417038 -0.00552886
-12.60886314 -1.78400348 -13.32998506
-0.00041279 -0.00036453 0.00032677
0.00226793 -0.00828804 -0.00227182
-11.67665922 0.75903333 -12.36087030
-0.00011387 0.00086738 0.00023565
-0.00049991 0.00862163 -0.01435345
-38.08886304 4.00706400 2.52097946
0.00071503 -0.00012793 0.00117412
0.01050742 0.01620518 -0.00750933
-39.65251903 1.93400533 3.35437102
0.00028623 -0.00038293 0.00035327
-0.00063754 -0.01562689 0.00380642
-9.87605672 -3.47684633 0.84954400
-0.00066793 -0.00022124 0.00024655
-0.00647042 0.00322468 -0.00687372
-8.59799506 -3.42743858 3.40666324
0.00019895 -0.00029106 0.00052247
0.04183183 -0.02060817 0.02153104
0.22766899 -0.70516669 7.17613951
0.00077573 -0.00015983 -0.00051119
0.02193561 0.01698447 0.03623462
1.88859336 1.15311490 8.97097205
-0.00024418 0.00007909 -0.00030481
0.00799442 0.01118519 -0.00735205
-32.42972045 0.96523719 2.23082108
-0.00102591 -0.00070231 -0.00092298
-0.00788795 -0.01877375 0.00262000
-34.15872860 3.40296649 1.79354180
0.00046195 0.00002140 -0.00085572
0.02710944 -0.02069330 0.00258993
12.73507739 12.88530358 -15.34439768
0.00067536 0.00128295 0.00075012
-0.00132815 -0.00201897 -0.00189465
15.57103857 12.74153780 -14.70229747
0.00085792 -0.00045060 0.00109783
-0.00393465 0.00233301 -0.00970385
-3.94365103 8.79726592 4.46999796
0.00004372 0.00000724 -0.00092269
-0.00331164 0.00460413 0.00884290
-3.63425576 6.99785922 2.26885967
0.00016287 0.00024919 -0.00132734
-0.00024010 -0.01132925 0.00176070
6.13138003 15.76610322 -10.04309934
0.00002636 -0.00023597 0.00083288
-0.00494171 0.01721907 0.01892332
7.63981744 16.97074685 -7.82544624
0.00004892 0.00030564 0.00051081
-0.00863793 -0.00113360 -0.00400198
7.65994492 7.24154740 -22.58149441
-0.00068048 0.00038323 0.00045706
0.01509622 0.00105010 -0.01768935
7.81547350 8.15141720 -19.80537580
-0.00014789 0.00134504 -0.00067706
0.00848116 0.00435980 -0.00124567
21.63687588 17.74710054 -2.50643123
-0.00036328 -0.00053994 -0.00013952
0.01008118 -0.00765732 0.00892504
24.44754123 17.80681111 -3.33799718
-0.00046106 -0.00026916 -0.00025440
0.01347529 0.01362500 -0.01992159
1.14961918 11.12640616 -21.31791561
-0.00039810 -0.00039673 0.00086356
0.00376241 0.01764521 0.01311115
0.62459067 13.79706027 -22.29371286
-0.00002306 0.00003565 -0.00010194
0.00326397 0.01222351 0.00163543
9.84004594 -5.19404767 -1.69161901
-0.00022129 -0.00138785 -0.00020485
-0.00702585 -0.03925056 0.00197973
9.53848785 -2.72795174 -3.06400824
0.00102831 -0.00039684 -0.00155145
0.00178120 -0.00027553 0.01096081
-18.73314241 -4.19385967 5.28428896
0.00037860 -0.00086456 0.00013142
0.00132910 0.00040642 0.00235388
-17.20173513 -3.16218806 3.06254454
-0.00075151 -0.00057893 -0.00021287
-0.01056999 0.00546110 0.01357658
-15.40821848 0.35388402 16.72554714
0.00005545 0.00048840 -0.00037372
0.00041717 -0.00139446 0.00813244
-13.72322829 1.04006796 18.95295130
0.00000373 0.00001058 0.00018692
-0.01798407 -0.00528281 0.00079365
3.10493120 3.94579540 -4.21331085
0.00003134 0.00046936 0.00074940
0.00165349 -0.01412030 0.00759513
3.26368549 1.06382825 -3.14442035
0.00019816 0.00049455 -0.00038133
0.00468625 0.02907574 -0.00771630
23.15258509 -9.69001564 -10.38695306
0.00093652 -0.00038721 -0.00015183
0.00193455 0.03005557 0.00887798
24.90109886 -7.94261680 -8.64672296
-0.00029228 -0.00028167 -0.00050841
0.01488890 0.00298718 0.00822712
2.41369268 -9.08098561 5.72777563
-0.00011859 -0.00042070 0.00068568
0.00280516 -0.00391026 -0.02086574
2.37830299 -8.25352513 8.34473626
-0.00136090 -0.00014851 0.00008269
-0.01035452 0.01814047 -0.00836822
-3.51944848 -2.81499312 -17.83105938
0.00070187 0.00101880 -0.00066688
-0.00726523 0.00432506 0.00314508
-5.05540569 -0.39708518 -17.05007995
-0.00011832 -0.00042477 -0.00012656
-0.00237925 -0.00331265 0.00907003
1.93656963 4.76689412 -11.97259054
-0.00006099 0.00018317 0.00076718
0.02957660 -0.00454585 0.01324486
1.81869481 4.09418278 -9.25565512
-0.00080152 0.00102281 -0.00000438
0.01486166 -0.00378060 -0.00085091
-0.94749093 16.31234021 13.20882021
0.00028226 -0.00067346 0.00063618
-0.01880711 -0.00626568 0.02084007
-2.48736017 17.13871998 15.70908711
0.00033321 -0.00026176 -0.00029938
0.00751199 0.00255434 0.03797788
-1.84803867 1.18020571 -5.54393109
-0.00054903 -0.00007659 0.00067965
0.00008140 -0.00075891 0.00838142
-2.87169404 0.86728611 -8.22092067
-0.00010200 0.00056042 0.00134915
-0.00984084 -0.00858112 -0.01525259
-8.19590725 -3.12201004 -4.68845143
0.00035076 0.00066697 0.00110127
-0.01874809 -0.00249792 -0.00123643
-7.32526555 -0.36125688 -3.91168411
0.00009854 -0.00053257 -0.00004777
-0.00037616 -0.01699152 -0.00804852
1.18533928 28.24580980 5.77690272
-0.00062542 -0.00026630 0.00045682
0.03101488 0.00143012 -0.02811597
-1.29314792 28.30424393 6.65471004
0.00132850 -0.00065165 0.00039122
-0.03232743 -0.00048014 0.00002412
8.36726337 -9.25826201 -2.08308033
-0.00035569 -0.00061983 0.00056113
-0.00854910 0.00023374 -0.00368664
10.14749143 -9.95083786 0.16070389
0.00022629 0.00067328 -0.00028359
0.00605458 0.01234186 -0.01670568
-5.94676607 0.40057382 9.26862095
0.00101857 0.00041309 0.00077582
0.00375819 -0.00615501 -0.00995984
-8.50032531 -0.17535724 8.14808573
-0.00034508 0.00010780 -0.00076231
-0.01115678 -0.00700326 0.00007900
19.52840427 11.31540651 7.98274452
-0.00055776 0.00047793 0.00023309
0.01917161 -0.00826934 0.02803046
19.48981746 13.25548081 5.88497995
0.00003119 -0.00030485 0.00144986
0.00782941 0.00755999 -0.00354235
-2.66974066 -2.37914024 -22.44440878
-0.00033404 0.00002213 -0.00125256
-0.00267888 0.03692172 0.01431428
-4.92203254 -3.52526905 -24.30351777
0.00011911 0.00045097 0.00010078
0.02456828 0.01801120 0.01657198
-12.46897934 9.16137113 9.61916704
0.00008155 -0.00010088 0.00017875
-0.00092151 -0.00145008 -0.00249418
-13.02979963 8.80486027 6.74462909
0.00061858 0.00058777 0.00060919
-0.00050930 0.00217222 0.01160631
-12.79484515 7.31548716 -4.64145297
-0.00068212 0.00006839 0.00001916
0.00151698 0.00819259 0.01512044
-11.68342688 9.05069473 -2.48449868
-0.00062040 0.00025430 0.00009084
0.00756947 0.03646374 0.00214668
-4.94694897 -17.38583267 19.79328288
-0.00105325 -0.00026170 -0.00062842
0.01862427 0.01828842 0.02117119
-2.07035421 -16.80509042 19.36844925
-0.00060814 0.00106856 -0.00027488
-0.01255330 0.00801834 0.01677171
-3.53810498 5.35379779 -7.06564154
0.00057227 0.00001051 -0.00046947
0.00350072 0.01380175 -0.00316088
-3.91223052 8.49837151 -6.61420976
-0.00082051 -0.00083555 0.00014755
0.00629741 -0.03656602 -0.02763349
-21.13654834 28.09528538 0.52902077
0.00001000 -0.00065817 0.00098250
-0.00742595 -0.00245661 0.00058023
-18.87215518 29.56486756 1.28991664
0.00104813 0.00055233 -0.00135407
0.02027873 0.00557855 0.00005735
8.46647031 2.66279781 6.41360778
-0.00014614 0.00076815 0.00123594
-0.01474532 -0.01430129 -0.02154175
9.21675800 4.82666462 8.08031964
0.00057535 -0.00105371 0.00020382
0.01902613 -0.02803334 -0.00717671
7.24506926 15.61687317 -14.33543359
0.00091649 0.00189725 0.00055659
-0.00754684 -0.01878833 0.01952198
6.89645028 12.74796044 -13.13954968
0.00117287 0.00133779 0.00004405
-0.00775998 0.04792364 -0.00254906
13.19335316 5.11519981 -3.33015350
-0.00032604 -0.00089029 0.00101545
-0.01753526 0.01876414 -0.00524952
13.22779153 3.08534105 -1.35159000
-0.00113759 -0.00107190 -0.00020365
-0.01640352 -0.00673818 0.03676292
-5.12242698 9.64489585 -0.29079471
0.00097626 0.00009348 -0.00116123
0.02744083 -0.02882166 -0.00188737
-7.85825877 10.16076403 -0.38976849
0.00083052 -0.00053034 -0.00048260
-0.00954820 0.00177311 0.00764202
4.65844167 13.07996735 2.18183474
-0.00004054 0.00063970 -0.00053100
0.00017570 -0.00657894 -0.00970928
7.66554974 12.18219859 2.60831156
-0.00038263 0.00090398 0.00055576
-0.04055904 0.02364342 0.01166140
21.11867040 -12.92359616 -10.32415782
0.00091515 -0.00035529 -0.00010586
-0.02238977 -0.01795102 0.02512818
22.44364605 -13.57993677 -12.79261080
0.00084211 0.00102117 0.00050797
0.00361981 -0.00220420 -0.00802119
17.92310135 -5.96764422 1.90342058
-0.00099508 0.00006498 -0.00050495
-0.02630848 0.00277650 0.02726301
16.38724308 -8.03574779 3.00130720
0.00022335 -0.00038631 -0.00083156
-0.01254741 -0.01658882 0.00381033
14.34141755 8.15635243 10.80748959
0.00003601 0.00040515 -0.00015587
-0.01526521 0.01567604 0.00806878
16.68465185 6.55090220 10.86748830
0.00029180 -0.00010801 -0.00038177
-0.00754903 0.00477038 -0.00500327
1.73199581 -13.38279194 15.04845997
-0.00159604 -0.00040801 0.00067519
0.00928850 0.01274694 0.01635935
3.59246063 -12.33697653 17.41586964
-0.00030558 -0.00029977 -0.00002132
-0.01429127 -0.00343492 -0.02313589
-3.47375365 -2.75721712 -9.91709112
0.00008775 0.00011811 0.00048080
-0.00135537 0.02052148 -0.01092234
-1.99675530 -0.89862546 -11.67003294
-0.00011107 -0.00131249 -0.00024281
0.03322341 0.00499836 -0.01761982
15.15704085 -7.73364931 -11.46935746
0.00009054 -0.00069478 0.00040037
-0.01074677 -0.00803467 0.04700442
16.98285877 -7.01591681 -9.24856201
-0.00010812 -0.00037767 -0.00048379
0.00084460 0.00027340 0.01360715
7.54131107 -3.03104223 5.60713368
-0.00052001 -0.00038416 -0.00012985
-0.00726857 -0.00013584 0.00006397
10.26839512 -3.85002373 5.01575430
0.00058028 -0.00119175 0.00091365
0.01389299 0.00148819 -0.02064371
-21.09074063 1.01204423 22.75141963
0.00074314 -0.00041084 0.00037168
-0.01155389 0.00878561 0.02466508
-23.13427822 0.68418244 25.03257120
-0.00084740 0.00006240 -0.00059921
0.01690546 0.00807209 -0.00892217
25.68253034 -2.52706628 -7.96643555
0.00032196 0.00056079 0.00024190
0.00890029 -0.01120137 0.00468545
23.66097597 -0.66670166 -7.29285589
0.00006460 -0.00037007 -0.00038678
0.00048335 0.00031569 0.00546129
11.20429678 -12.96022185 -8.70590547
-0.00051671 0.00081929 -0.00044339
-0.00570760 0.00726634 0.00843322
12.76184000 -10.43775060 -9.47738939
0.00042437 -0.00086716 -0.00026566
0.01272114 0.01269193 0.00994731
-5.64979587 -10.37624722 18.17468826
-0.00046737 -0.00003121 0.00020900
0.01255361 -0.00402592 0.01053466
-6.13456057 -9.95848873 15.47722447
0.00122277 -0.00029662 0.00026555
0.00361148 0.00573431 -0.01935043
9.19274058 1.26132646 -31.75728419
0.00018472 -0.00008052 -0.00002217
0.00423544 -0.02003274 -0.00947915
6.62642343 2.71287011 -31.78187724
0.00052226 0.00024946 -0.00136813
0.01597334 -0.00412824 0.00677186
11.40777278 17.96117092 13.10131701
-0.00004631 -0.00101523 -0.00030449
-0.00430550 -0.01391476 0.02056411
11.90478756 15.40523592 14.58011958
0.00025202 -0.00057999 -0.00051216
-0.00688245 0.02492878 -0.00450824
30.92778520 5.43126408 -7.86347902
0.00066347 -0.00014014 0.00012514
-0.00226030 0.00797478 -0.00369366
28.72347559 7.40137015 -7.45585152
0.00098963 -0.00040612 -0.00039740
0.04286015 0.00398536 -0.00075765
-8.40665542 4.83409602 5.65059697
0.00007187 -0.00006616 0.00003503
0.00748134 0.00443788 0.00163149
-10.73320023 10.13987553 3.37471802
0.00002350 -0.00003274 -0.00009256
-0.00654776 -0.00551810 0.00634621
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08421302
0.33273330
443.35043995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3706765800 (a.u.)
total exchange computation time: 2.8276228905 s
-154.1251157825
-931.41844492
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3702979133 (a.u.)
total exchange computation time: 2.8296031952 s
-154.1288523009
Anderson extrapolation: theta=1.3477180525 (1.3477180525)
-931.41866039
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3696939525 (a.u.)
total exchange computation time: 2.8268299103 s
-154.1344649378
Anderson extrapolation: theta=0.0502752555 (0.0502752555)
-931.41878826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3695867132 (a.u.)
total exchange computation time: 2.8273758888 s
-154.1352739136
Anderson extrapolation: theta=1.8890218814 (1.8890218814)
-931.41879279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3693552227 (a.u.)
total exchange computation time: 2.8288710117 s
-154.1369623924
Anderson extrapolation: theta=0.2128636723 (0.2128636723)
-931.41879739
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3692938853 (a.u.)
total exchange computation time: 2.8287560940 s
-154.1373598323
Anderson extrapolation: theta=1.8842383467 (1.8842383467)
-931.41879822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3691932071 (a.u.)
total exchange computation time: 2.8310790062 s
-154.1379552456
Anderson extrapolation: theta=0.2872345493 (0.2872345493)
-931.41879924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3691810292 (a.u.)
total exchange computation time: 2.8282749653 s
-154.1379690152
Anderson extrapolation: theta=1.3196126082 (1.3196126082)
-931.41879947
-211.861874 76.485955 -36.204938
566.535038 1066.307780 -418.666406
354.673163 1142.793735 -454.871344
1280.108790
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1430178475
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3691787889 (a.u.)
total exchange computation time: 2.8264031410 s
678.76177930
-1083.72081040
89.81420418
-389.10446794
-174.80032598
78.25717386
551.60419304
0.00000000
-931.41879963
5.44810124 -31.30574825 -3.76362556
-0.00037601 -0.00022837 0.00005260
-0.00542050 0.01606957 -0.02074468
-11.87192349 -0.96759657 -11.83000217
-0.00001865 0.00009580 0.00003998
0.00949252 -0.00194094 0.01367495
-37.87092560 2.36276476 3.25266775
0.00004700 0.00027800 -0.00031409
-0.01165531 -0.00741814 0.00952702
-9.91497277 -2.70498953 2.50120831
-0.00052919 0.00027021 0.00006581
-0.01333331 0.01970057 0.00450955
0.85698308 -0.31265020 8.94751420
0.00022733 -0.00026695 0.00001446
-0.02814394 -0.03077744 -0.03266146
-32.39619651 2.72631068 1.80252246
0.00000709 0.00004345 0.00001695
-0.01661003 0.02548975 -0.00406397
14.06662134 13.80418285 -14.50814060
0.00006893 0.00019197 -0.00040278
0.02310549 0.00317000 0.01492457
-4.25179947 7.04378125 3.99935982
-0.00054312 -0.00015083 0.00004069
0.00882965 -0.00066793 -0.01535024
5.86921435 16.69218726 -8.36094899
0.00026440 -0.00013860 0.00019899
0.01313900 -0.01677005 -0.00948278
6.75407030 7.29174641 -21.01342112
-0.00019694 0.00011744 0.00006279
-0.02445493 -0.00943952 0.02257671
23.34809132 17.10623094 -2.12137243
-0.00013423 -0.00006107 0.00027606
-0.01396524 -0.00962629 0.00799621
1.42355444 12.95159082 -20.88361941
0.00008352 0.00006003 0.00020498
-0.00937191 -0.03573604 -0.01817662
10.44228050 -3.52788296 -1.66598522
0.00012434 0.00028281 -0.00003227
-0.00698316 0.01554704 -0.02832991
-17.80760383 -2.68835194 4.75924314
0.00021657 0.00003615 0.00012379
0.00214014 -0.01653001 -0.01976587
-15.27274782 0.09958700 18.55109944
0.00014296 -0.00014289 -0.00013862
0.02651762 0.00368881 -0.01348753
2.61658623 2.79957318 -2.85451506
-0.00049163 0.00013561 0.00020355
-0.01198975 -0.00770612 0.00075980
23.45739398 -7.91040028 -9.70587737
0.00014121 -0.00016038 -0.00019118
-0.01625303 -0.02775422 -0.02290387
1.53608138 -7.87417236 6.73241174
0.00036326 0.00013186 0.00017955
0.00307047 0.00048544 0.02034693
-3.60625099 -0.99196859 -18.01106092
0.00040271 0.00025994 0.00031305
0.01673967 0.00163997 -0.01159889
3.12493429 4.25262905 -10.55728811
-0.00034640 -0.00006111 0.00022875
-0.04397445 0.00594994 -0.00986258
-2.63444648 16.83821291 13.99350920
-0.00006715 0.00010357 0.00009840
0.01165445 0.00039241 -0.06316229
-2.27487064 2.11534620 -7.02983772
-0.00001136 0.00003601 -0.00009027
0.01343257 0.01299561 0.01763343
-6.77696799 -2.03743857 -4.51361141
-0.00027644 -0.00004288 -0.00017063
0.02456336 0.02065050 0.00903928
0.36380577 28.30476524 7.34644856
-0.00013789 0.00015258 -0.00005947
0.00836712 -0.00410180 0.02978182
10.11187722 -9.14075590 -1.54140787
0.00024898 -0.00005846 -0.00017510
0.00426867 -0.01030608 0.01201636
-6.90406791 0.52252639 7.67379017
-0.00030503 0.00032290 0.00022953
0.00968411 0.01324877 0.01171828
18.81631219 11.65803756 6.39906673
0.00030284 -0.00013338 0.00012739
-0.02919094 -0.00466610 -0.02397241
-3.34890990 -3.78393672 -23.24155424
-0.00013267 0.00030523 0.00011592
-0.03278476 -0.05366196 -0.03497820
-13.64043571 8.34385719 8.44856298
-0.00003767 0.00004638 0.00026811
0.00406599 -0.00009728 -0.01027330
-12.22048869 7.39601028 -2.82508217
-0.00028932 -0.00028824 -0.00044822
-0.00660430 -0.03498333 -0.01247673
-3.46964749 -16.39217211 20.53580427
-0.00025471 -0.00024772 0.00015044
-0.01154496 -0.02265341 -0.03055232
-3.50313967 7.03765320 -7.86638850
-0.00049962 0.00038382 0.00016515
-0.00538941 0.02870296 0.02120466
-20.68016071 29.67480757 1.32141756
-0.00009395 0.00028848 -0.00001628
-0.00309497 -0.00394851 0.00105340
9.87768626 3.10355291 7.43280080
-0.00001024 -0.00004308 -0.00018836
0.00047768 0.05414264 0.03011961
6.38793274 14.60366199 -12.96078494
0.00002503 -0.00000876 0.00045858
0.02442060 -0.02346109 -0.01986330
14.13304357 3.71622747 -2.73934918
0.00011195 -0.00016896 0.00007190
0.03422646 -0.02006255 -0.02598113
-6.25187196 10.99057343 -0.35034045
0.00002993 -0.00018814 0.00016593
-0.00654976 0.02933297 -0.00996882
6.20552050 13.31559628 3.13259442
0.00032359 0.00025275 0.00001161
0.03102085 -0.00940747 0.00440444
21.86218236 -12.18058478 -11.75427354
-0.00013172 0.00006116 -0.00022811
0.01000248 0.02174645 -0.00760674
16.76718906 -6.31897245 3.40866153
0.00029006 0.00017354 0.00004000
0.03525146 0.01101011 -0.03937996
15.34244156 7.11592904 9.72602656
0.00016346 -0.00031991 -0.00036786
0.01742080 -0.01822122 -0.00398370
3.00652073 -13.73275257 16.31662256
-0.00000963 0.00020128 -0.00035522
0.01036715 -0.01376211 0.00195881
-3.57192121 -1.09194029 -10.86229723
-0.00006226 -0.00032577 -0.00012455
-0.03228541 -0.01966756 0.03405434
15.35171422 -7.84824501 -9.49551559
-0.00001934 0.00022512 -0.00008067
-0.00867738 0.00304269 -0.05729964
9.11687663 -3.62964337 6.36201990
0.00055314 -0.00045812 -0.00006490
-0.02714711 -0.00184354 0.02932992
-21.57509710 1.58691294 24.46536429
-0.00019844 -0.00002285 -0.00013904
-0.00620642 -0.01237942 -0.01115411
24.90773915 -1.74681428 -6.50270968
-0.00002044 -0.00003208 -0.00013102
-0.01044565 0.00875162 -0.00918032
11.82898011 -11.86304389 -10.02079042
0.00031355 -0.00011298 -0.00004297
-0.01010999 -0.02246686 -0.02472893
-4.74305785 -10.37073502 16.56788486
0.00012487 -0.00027129 -0.00013735
-0.00489781 -0.01192931 0.02433846
8.21562724 2.45212977 -30.83181977
0.00009398 0.00032219 -0.00047557
-0.03178138 0.01731533 0.00771949
10.94862100 17.00830237 14.66065354
0.00014900 -0.00023898 -0.00023361
0.01474705 -0.00425230 -0.01479609
30.66216499 7.26574085 -7.51022946
-0.00021437 -0.00005826 0.00035616
-0.03571744 -0.01250205 0.00233207
5.70290016 -30.08825736 -5.21562835
-0.00063671 0.00027769 -0.00002977
-0.00850889 -0.01713364 0.02058561
3.95914023 -30.73325737 -2.83928490
0.00069505 0.00075298 0.00017094
0.00740239 0.00452593 -0.00340356
-12.61498548 -1.78972537 -13.32515308
-0.00040198 -0.00039577 0.00031856
0.00302451 -0.00700721 -0.00174717
-11.67838259 0.77230816 -12.35777542
-0.00011728 0.00089125 0.00017836
-0.00116754 0.00306724 -0.01368941
-38.07781556 4.00564166 2.53836111
0.00075415 -0.00004812 0.00113727
0.00863857 0.02286017 -0.01052753
-39.64824512 1.92778255 3.35978672
0.00028390 -0.00044486 0.00036758
-0.00050380 -0.01468689 0.00319888
-9.88627390 -3.48006607 0.85303159
-0.00069390 -0.00020779 0.00021899
-0.00624347 0.00335777 -0.00661547
-8.59372891 -3.43243604 3.41516008
0.00035328 -0.00036616 0.00059864
0.03371007 -0.01615304 0.01575665
0.23997712 -0.70704370 7.16958202
0.00086487 -0.00009086 -0.00036064
0.02169655 0.01677940 0.03745849
1.88517556 1.15464396 8.96617454
-0.00021181 0.00012459 -0.00033384
0.00785110 0.01109071 -0.00685835
-32.44535080 0.95412727 2.21705668
-0.00105684 -0.00077072 -0.00091383
-0.00725237 -0.01471445 0.00185741
-34.15096866 3.40265333 1.78078536
0.00056674 -0.00006000 -0.00084469
0.02418723 -0.01915068 0.00281094
12.74516713 12.90448594 -15.33320393
0.00065292 0.00126119 0.00073077
-0.00965718 -0.00863377 -0.00757987
15.58378686 12.73485030 -14.68612744
0.00083090 -0.00043513 0.00105718
-0.00929375 0.00523721 -0.01019025
-3.94309665 8.79751563 4.45642851
0.00002954 0.00002515 -0.00088502
-0.00363041 0.00415981 0.00959909
-3.63182003 7.00124985 2.24900357
0.00015402 0.00020188 -0.00129992
-0.00409095 -0.01182900 0.01166111
6.13162407 15.76309126 -10.03002621
0.00000769 -0.00016818 0.00090514
-0.00420105 0.01596535 0.01644445
7.64028655 16.97529672 -7.81790674
0.00001438 0.00030040 0.00049378
-0.00826932 -0.00143305 -0.00433182
7.65020034 7.24732800 -22.57518050
-0.00061528 0.00038655 0.00037671
0.01681862 0.00057466 -0.02164521
7.81351502 8.17172640 -19.81556991
-0.00011466 0.00136186 -0.00068217
0.00778731 0.00387480 -0.00125538
21.63173563 17.73876676 -2.50825048
-0.00032078 -0.00057157 -0.00010222
0.01072364 -0.00782274 0.00932931
24.44103826 17.80319121 -3.34242363
-0.00040719 -0.00021446 -0.00033430
0.01289322 0.01315157 -0.01919147
1.14376299 11.12099587 -21.30456041
-0.00038198 -0.00032073 0.00091698
0.00412651 0.01955909 0.01303848
0.62434485 13.79796965 -22.29519183
-0.00000781 0.00008288 -0.00009208
0.00420042 0.01089148 0.00318803
9.83651133 -5.21606825 -1.69463111
-0.00023904 -0.00151803 -0.00019657
-0.00166214 -0.02446922 0.00207382
9.55396707 -2.73391280 -3.08694411
0.00103791 -0.00040079 -0.00150197
0.00291685 -0.00165595 0.01325860
-18.72742267 -4.20681555 5.28633232
0.00038789 -0.00085501 0.00014007
0.00321649 0.00426466 0.00188152
-17.21333171 -3.17070466 3.05976755
-0.00079380 -0.00055477 -0.00015659
-0.01013144 0.00636404 0.01396998
-15.40737392 0.36116723 16.72019055
0.00005766 0.00048214 -0.00033611
0.00066453 -0.00166869 0.01027989
-13.72372349 1.04006484 18.95577937
-0.00006979 -0.00001123 0.00019000
-0.01800007 -0.00539557 0.00071594
3.10545198 3.95240313 -4.20183704
0.00003815 0.00041318 0.00077952
0.00167741 -0.01337851 0.00714552
3.26680145 1.07213751 -3.15037679
0.00021699 0.00061211 -0.00041180
0.00453430 0.02847164 -0.00719728
23.16669218 -9.69490276 -10.38895841
0.00094256 -0.00026395 -0.00011587
0.00102096 0.03027927 0.00872339
24.89717084 -7.94675032 -8.65409693
-0.00022394 -0.00026874 -0.00046908
0.01856361 0.00334404 0.01102245
2.41199972 -9.08741592 5.73742139
-0.00010594 -0.00043794 0.00059941
0.00338807 -0.00452769 -0.02136465
2.35757213 -8.25519694 8.34572015
-0.00139737 -0.00007640 0.00005815
-0.00749771 0.01716140 -0.00364243
-3.50914310 -2.79957859 -17.84096625
0.00067312 0.00102313 -0.00065289
-0.00680565 -0.00220513 0.00370297
-5.05725334 -0.40355830 -17.05170038
-0.00012840 -0.00043740 -0.00008902
-0.00255457 -0.00286948 0.00930645
1.93656110 4.76950239 -11.96067691
0.00005706 0.00016586 0.00081531
0.02820785 -0.00392783 0.01031196
1.80712735 4.10940905 -9.25574689
-0.00073926 0.00100633 -0.00000686
0.01561904 -0.00428732 -0.00036100
-0.94383329 16.30204625 13.21900158
0.00020257 -0.00069782 0.00072032
-0.02020120 -0.00565476 0.02034686
-2.48213180 17.13487181 15.70576021
0.00036357 -0.00025012 -0.00013654
0.00734915 0.00314729 0.04173230
-1.85627156 1.17903363 -5.53347944
-0.00055046 -0.00007386 0.00070625
-0.00078271 0.00209354 0.00463524
-2.87352554 0.87542945 -8.20115082
-0.00014824 0.00051331 0.00127414
-0.01279313 -0.01448167 -0.02146691
-8.19122035 -3.11208209 -4.67197027
0.00026032 0.00064497 0.00109449
-0.02552154 -0.00827102 -0.00208413
-7.32379892 -0.36976604 -3.91264725
0.00009550 -0.00059497 -0.00007831
-0.00111298 -0.01355446 -0.00690042
1.17690833 28.24185913 5.78289353
-0.00049140 -0.00026092 0.00033221
0.03458793 0.00120234 -0.03288450
-1.27421100 28.29445454 6.66057909
0.00117108 -0.00065345 0.00038360
-0.04473078 -0.00040329 -0.00375569
8.36166608 -9.26755231 -2.07477640
-0.00038477 -0.00061771 0.00054628
-0.00568754 0.00080177 -0.00357923
10.15107134 -9.94036042 0.15593807
0.00025231 0.00072095 -0.00034601
0.00668121 0.01099294 -0.01384880
-5.93137238 0.40658154 9.27995299
0.00102341 0.00038704 0.00072352
-0.00138709 -0.00659749 -0.01563718
-8.50584340 -0.17395480 8.13665356
-0.00039054 0.00007847 -0.00075897
-0.01109645 -0.00735554 0.00155389
19.52062538 11.32232207 7.98709987
-0.00047802 0.00044099 0.00035296
0.01985973 -0.00981123 0.03064454
19.49052520 13.25113977 5.90661934
0.00006635 -0.00026428 0.00143054
0.00938252 0.01229653 -0.00591587
-2.67483332 -2.37767696 -22.46275849
-0.00033707 0.00018729 -0.00118625
0.00119518 0.04392512 0.01814151
-4.91949298 -3.51795256 -24.30149818
0.00021784 0.00052350 0.00016694
0.02375729 0.01749032 0.01581293
-12.46778429 9.15981350 9.62177186
0.00007737 -0.00010687 0.00016962
-0.00112573 -0.00148134 -0.00197703
-13.02053657 8.81374344 6.75412259
0.00061533 0.00059560 0.00065565
-0.00107835 0.00165832 0.01113602
-12.80503049 7.31676412 -4.64070223
-0.00067639 0.00010170 0.00007743
0.00129095 0.00810980 0.01340308
-11.69250100 9.05562653 -2.48307027
-0.00059273 0.00039291 0.00009756
0.00597672 0.03138751 0.00113985
-4.96217705 -17.38919770 19.78450529
-0.00097089 -0.00018331 -0.00053811
0.02169380 0.02008378 0.02303814
-2.07986103 -16.78881635 19.36484006
-0.00065606 0.00109972 -0.00020881
-0.01090181 0.00723576 0.01556900
-3.52941358 5.35437835 -7.07278040
0.00058583 0.00006699 -0.00048219
0.00313293 0.01384392 -0.00306887
-3.92434513 8.48471773 -6.61284325
-0.00079553 -0.00097860 0.00003919
0.00592787 -0.03345747 -0.02541269
-21.13662591 28.08533751 0.54377601
-0.00001903 -0.00066344 0.00098724
-0.00678431 -0.00012370 0.00174212
-18.85581183 29.57332341 1.26960730
0.00111287 0.00057598 -0.00135305
0.01141187 0.00599763 0.00044397
8.46382638 2.67388180 6.43148679
-0.00021751 0.00070443 0.00113882
-0.02019320 -0.01688979 -0.02599756
9.22597120 4.80999998 8.08315702
0.00065098 -0.00115914 0.00017777
0.01799733 -0.02357488 -0.00557665
7.25858529 15.64475617 -14.32648652
0.00087949 0.00181233 0.00064576
-0.01056127 -0.02277998 0.02412737
6.91380548 12.76949588 -13.13896710
0.00114304 0.00152233 0.00003298
-0.00683806 0.04241014 -0.00286853
13.18792530 5.10242043 -3.31508258
-0.00040309 -0.00080375 0.00098881
-0.02018496 0.02359961 -0.00778963
13.21022508 3.06905603 -1.35351826
-0.00119574 -0.00109565 -0.00006380
-0.01206275 -0.00488615 0.03169421
-5.10694219 9.64541484 -0.30827097
0.00108290 -0.00001788 -0.00116984
0.02475836 -0.02569082 -0.00232963
-7.84609359 10.15286325 -0.39677330
0.00078375 -0.00052775 -0.00045137
-0.01334706 -0.00050482 0.00764386
4.65783900 13.08936133 2.17357222
-0.00003328 0.00061354 -0.00056604
0.00337580 -0.00623000 -0.00744162
7.65856742 12.19648275 2.61700532
-0.00053848 0.00099289 0.00059930
-0.03572862 0.01987953 0.00965113
21.13171163 -12.92947564 -10.32497571
0.00082299 -0.00042897 -0.00000159
-0.02272383 -0.01811558 0.02591044
22.45638856 -13.56468680 -12.78523701
0.00086012 0.00100358 0.00046817
0.00520060 -0.00640714 -0.01146190
17.90736898 -5.96658441 1.89668175
-0.00109821 0.00007866 -0.00039585
-0.02417509 0.00391953 0.02614145
16.39020885 -8.04205073 2.98895051
0.00017416 -0.00044235 -0.00081195
-0.01153072 -0.01084494 0.00579004
14.34148995 8.16291010 10.80539879
-0.00002015 0.00046243 -0.00012919
-0.01222459 0.01236266 0.00499277
16.68879749 6.54942817 10.86160839
0.00026048 -0.00008843 -0.00040228
-0.00777922 0.00481778 -0.00503277
1.70833988 -13.38852146 15.05908908
-0.00155505 -0.00035621 0.00074529
0.01077305 0.01260869 0.01795649
3.58743906 -12.34157835 17.41484093
-0.00036360 -0.00031030 -0.00011332
-0.01411433 -0.00172075 -0.02190250
-3.47247897 -2.75481662 -9.91021388
0.00008113 0.00020049 0.00043643
-0.00188217 0.01980299 -0.01079266
-1.99740323 -0.91815963 -11.67421503
0.00002460 -0.00129122 -0.00031506
0.03318677 0.00541119 -0.01774681
15.15806967 -7.74431717 -11.46191152
0.00004604 -0.00072567 0.00058772
-0.01103630 -0.00708598 0.04470435
16.98126280 -7.02157349 -9.25540193
-0.00010014 -0.00037375 -0.00042717
0.00306158 0.00164697 0.01410913
7.53328817 -3.03680884 5.60518794
-0.00053756 -0.00038895 -0.00012599
-0.00132140 -0.00220922 0.00182374
10.27752510 -3.86785439 5.02882647
0.00064185 -0.00118664 0.00082136
0.01624611 0.00101557 -0.02453213
-21.07994751 1.00615080 22.75775057
0.00069591 -0.00037544 0.00047025
-0.01156654 0.00854219 0.02358823
-23.14647119 0.68536575 25.02330971
-0.00077503 0.00009700 -0.00063625
0.01851980 0.00886416 -0.00920929
25.68763246 -2.51899766 -7.96266353
0.00036101 0.00051216 0.00025640
0.01021326 -0.01260454 0.00241554
23.66195975 -0.67224304 -7.29849018
0.00006476 -0.00036714 -0.00036507
-0.00040422 0.00111914 0.00516595
11.19637122 -12.94770978 -8.71229792
-0.00054279 0.00084328 -0.00040245
-0.00705658 0.00447522 0.01160877
12.76859535 -10.45036909 -9.48106954
0.00048138 -0.00080698 -0.00022170
0.01518585 0.01676794 0.01157187
-5.65642176 -10.37683879 18.17814614
-0.00041182 -0.00004749 0.00024450
0.01463977 -0.00394023 0.00683847
-6.11610829 -9.96276226 15.48061470
0.00122391 -0.00026913 0.00017578
-0.00305580 0.00772170 -0.02459111
9.19564119 1.25950483 -31.75790725
0.00020157 -0.00016169 -0.00005947
0.00401144 -0.01970355 -0.00878055
6.63474680 2.71648554 -31.80219168
0.00058762 0.00023293 -0.00133888
0.01601943 -0.00396421 0.00754408
11.40694625 17.94551602 13.09737982
-0.00006278 -0.00106825 -0.00022462
-0.00375759 -0.01203569 0.01853254
11.90835689 15.39729999 14.57229906
0.00022158 -0.00047489 -0.00052940
-0.00801381 0.02651859 -0.00392977
30.93766793 5.42940638 -7.86171510
0.00065298 -0.00010479 0.00011058
-0.00287112 0.00932634 -0.00343167
28.73963341 7.39540045 -7.46183576
0.00115164 -0.00038901 -0.00040006
0.03644302 0.00438908 -0.00054341
-8.40555732 4.83311551 5.65112673
0.00007456 -0.00006458 0.00003558
0.00756920 0.00441184 0.00148396
-10.73285907 10.13937482 3.37334065
0.00002197 -0.00003402 -0.00009110
-0.00669061 -0.00554271 0.00627255
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08425054
0.33454909
445.76988725
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3780458325 (a.u.)
total exchange computation time: 2.8540780544 s
-154.1567574316
-931.41937697
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3775868873 (a.u.)
total exchange computation time: 2.8531618118 s
-154.1611428605
Anderson extrapolation: theta=1.3490911409 (1.3490911409)
-931.41959503
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3768705681 (a.u.)
total exchange computation time: 2.8532609940 s
-154.1676610371
Anderson extrapolation: theta=0.0512571417 (0.0512571417)
-931.41972470
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3767550438 (a.u.)
total exchange computation time: 2.8544161320 s
-154.1685376611
Anderson extrapolation: theta=1.9159388982 (1.9159388982)
-931.41972943
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3765060512 (a.u.)
total exchange computation time: 2.8525409698 s
-154.1703712920
Anderson extrapolation: theta=0.2196578021 (0.2196578021)
-931.41973437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3764412187 (a.u.)
total exchange computation time: 2.8535690308 s
-154.1708005219
Anderson extrapolation: theta=1.8777764545 (1.8777764545)
-931.41973530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.329 s
total exchange = -52.3763368529 (a.u.)
total exchange computation time: 2.8538279533 s
-154.1714359107
Anderson extrapolation: theta=0.2874293178 (0.2874293178)
-931.41973641
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3763257222 (a.u.)
total exchange computation time: 2.8527951241 s
-154.1714464061
Anderson extrapolation: theta=1.3059408360 (1.3059408360)
-931.41973666
-211.838653 76.425108 -36.148228
566.564321 1066.306734 -418.644853
354.725668 1142.731842 -454.793081
1280.040276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3763262801 (a.u.)
total exchange computation time: 2.8568849564 s
678.85938749
-1083.95475464
89.81640471
-388.94552255
-174.81892556
78.38897726
551.60419304
0.00000000
-931.41973683
5.44244015 -31.30911185 -3.76291663
-0.00037805 -0.00021990 0.00004117
-0.00252151 0.01687758 -0.02368742
-11.87216656 -0.96616709 -11.82934977
-0.00001377 0.00009587 0.00004661
0.00945636 0.00223699 0.01211957
-37.87026550 2.36690609 3.24799314
0.00004136 0.00027229 -0.00030831
-0.01028927 -0.01475691 0.01294579
-9.92296211 -2.70086039 2.50221278
-0.00053375 0.00027907 0.00006955
-0.00438464 0.01477255 0.01004440
0.86028450 -0.31677313 8.94760513
0.00021315 -0.00028249 -0.00000254
-0.02701481 -0.02966555 -0.03345586
-32.39615428 2.72706080 1.80276105
-0.00000070 0.00005485 0.00001502
-0.01368831 0.01883016 -0.00343639
14.06774447 13.80707459 -14.51412476
0.00008431 0.00019458 -0.00039349
0.03669727 0.00700310 0.02121071
-4.25991223 7.04151626 3.99991097
-0.00053763 -0.00015096 0.00003034
0.01253783 0.00016386 -0.02489051
5.87323106 16.69004362 -8.35800064
0.00027079 -0.00014676 0.00019499
0.01170805 -0.01498830 -0.00610480
6.75102193 7.29347162 -21.01239221
-0.00020960 0.00011288 0.00007525
-0.02477679 -0.00828939 0.02588445
23.34602394 17.10527782 -2.11720065
-0.00014115 -0.00006576 0.00027971
-0.01294464 -0.00861145 0.00617209
1.42477102 12.95235344 -20.88061485
0.00007848 0.00004167 0.00019531
-0.01022691 -0.03568115 -0.01940293
10.44411872 -3.52358081 -1.66657858
0.00011923 0.00028741 -0.00004741
-0.01289710 0.00232710 -0.03055015
-17.80434709 -2.68787352 4.76102370
0.00021716 0.00002647 0.00011379
0.00017001 -0.02108217 -0.01911798
-15.27050114 0.09745791 18.54896812
0.00015634 -0.00014092 -0.00014607
0.02553581 0.00398195 -0.01549707
2.60916547 2.80157767 -2.85145891
-0.00049774 0.00013164 0.00020394
-0.01174236 -0.00773340 0.00078109
23.45944943 -7.91291305 -9.70883345
0.00013226 -0.00017465 -0.00020340
-0.01854706 -0.02772551 -0.02459038
1.54154206 -7.87219257 6.73518346
0.00036402 0.00013248 0.00018867
-0.00010437 0.00193193 0.01511764
-3.60014577 -0.98806313 -18.00640992
0.00041112 0.00026245 0.00030697
0.01596406 0.00811922 -0.01205278
3.11956864 4.25173541 -10.55389488
-0.00036861 -0.00005815 0.00022437
-0.04238044 0.00553167 -0.00716994
-2.63540885 16.83976791 13.99474151
-0.00006077 0.00010353 0.00006566
0.01315644 -0.00053453 -0.06413353
-2.27498926 2.11593643 -7.03112368
-0.00000346 0.00004352 -0.00007874
0.01730373 0.01621825 0.02719257
-6.78101991 -2.03800208 -4.51613602
-0.00026199 -0.00003188 -0.00016616
0.03163440 0.02213608 0.00835104
0.36176976 28.30703817 7.34567134
-0.00013120 0.00015052 -0.00004237
0.01761456 -0.00390988 0.03673560
10.11562839 -9.14167262 -1.54398804
0.00025014 -0.00006347 -0.00016986
0.00023957 -0.00916276 0.00837732
-6.90860607 0.52742106 7.67727835
-0.00029890 0.00032979 0.00023645
0.01416786 0.01351084 0.01519621
18.82074222 11.65601885 6.40088515
0.00028746 -0.00013653 0.00011528
-0.03063090 -0.00756810 -0.02312554
-3.35102638 -3.77956533 -23.23995033
-0.00014998 0.00027634 0.00009745
-0.03453909 -0.05867667 -0.03684452
-13.64098502 8.34455251 8.45254503
-0.00003542 0.00004645 0.00026281
0.00465381 0.00035629 -0.01035907
-12.22485399 7.39155166 -2.83185365
-0.00029204 -0.00030462 -0.00045364
-0.00397037 -0.02869696 -0.00856996
-3.47351260 -16.39597536 20.53794309
-0.00026180 -0.00025945 0.00013482
-0.01604026 -0.02292740 -0.03021942
-3.51065481 7.04352128 -7.86382941
-0.00050206 0.00039751 0.00017525
-0.00408480 0.02451540 0.01805319
-20.68158191 29.67911949 1.32117739
-0.00009348 0.00028573 -0.00001613
0.00493619 -0.00672207 -0.00047075
9.87753453 3.10311563 7.43009151
-0.00000844 -0.00001605 -0.00017244
0.00649882 0.05095416 0.03178889
6.38840241 14.60344006 -12.95398289
0.00003795 -0.00001816 0.00044746
0.02582748 -0.01308641 -0.02337570
14.13485482 3.71361574 -2.73837093
0.00012886 -0.00018076 0.00006052
0.03152941 -0.02583672 -0.01827679
-6.25144826 10.98786453 -0.34788998
0.00002843 -0.00017359 0.00016088
0.00069583 0.02722376 -0.00966444
6.21049406 13.31935128 3.13278559
0.00033711 0.00024902 0.00001384
0.02153459 -0.00510984 0.00425086
21.86024507 -12.17958353 -11.75772451
-0.00012712 0.00007328 -0.00023104
0.00789318 0.02539561 -0.00381084
16.77167596 -6.31632683 3.40910965
0.00030722 0.00017738 0.00001975
0.03149276 0.00389016 -0.03936714
15.34496067 7.11106013 9.72049331
0.00017152 -0.00032834 -0.00036906
0.01390490 -0.01457755 -0.00067907
3.00641632 -13.72978644 16.31130186
-0.00000481 0.00019375 -0.00035490
0.00834963 -0.01553357 -0.00074268
-3.57297965 -1.09690265 -10.86403405
-0.00007842 -0.00033559 -0.00010737
-0.03056770 -0.01851801 0.03274114
15.35139063 -7.84485644 -9.49694669
-0.00002424 0.00022614 -0.00010943
-0.01038612 0.00093007 -0.05454721
9.12506901 -3.63652229 6.36115956
0.00053703 -0.00045852 -0.00004935
-0.03550192 0.00027352 0.03114467
-21.57809764 1.58652243 24.46323566
-0.00020199 -0.00002924 -0.00014427
-0.00761150 -0.01246347 -0.00919966
24.90739219 -1.74726168 -6.50471036
-0.00002591 -0.00002748 -0.00013510
-0.01079564 0.00912593 -0.00669071
11.83364436 -11.86482522 -10.02153041
0.00030820 -0.00012473 -0.00005673
-0.01070452 -0.02321899 -0.02875125
-4.74120376 -10.37485034 16.56591853
0.00012345 -0.00027785 -0.00012257
-0.00059607 -0.01360978 0.03313671
8.21691436 2.45702935 -30.83892356
0.00007791 0.00033077 -0.00047194
-0.03070836 0.01607293 0.00642072
10.95091287 17.00470131 14.65709230
0.00015662 -0.00024195 -0.00024066
0.01488181 -0.00732539 -0.01261462
30.65881161 7.26481871 -7.50487806
-0.00023062 -0.00006507 0.00035704
-0.02745252 -0.01399267 0.00107975
5.69308884 -30.08461711 -5.21544402
-0.00067026 0.00020502 0.00005597
-0.00791536 -0.01843841 0.02138231
3.96979275 -30.72182403 -2.83682510
0.00071868 0.00077236 0.00016165
0.00416647 0.00496070 -0.00114214
-12.62092245 -1.79587669 -13.32042818
-0.00038802 -0.00042175 0.00031265
0.00380646 -0.00570883 -0.00114710
-11.68017752 0.78577096 -12.35551952
-0.00012338 0.00089247 0.00012378
-0.00181780 -0.00246988 -0.01302903
-38.06623866 4.00562034 2.55509756
0.00078568 0.00005799 0.00108882
0.00679677 0.02908012 -0.01319114
-39.64400209 1.92065966 3.36539845
0.00028240 -0.00050261 0.00037933
-0.00023172 -0.01358457 0.00255352
-9.89687373 -3.48308004 0.85611375
-0.00071890 -0.00019367 0.00019283
-0.00599282 0.00355233 -0.00619112
-8.58739679 -3.43842346 3.42462258
0.00047306 -0.00042230 0.00065020
0.02492612 -0.01132713 0.00948220
0.25361495 -0.70789236 7.16532022
0.00095221 -0.00002334 -0.00020722
0.02106003 0.01626968 0.03764443
1.88223893 1.15685273 8.96095671
-0.00018085 0.00016856 -0.00036067
0.00730442 0.01042898 -0.00627488
-32.46142562 0.94211556 2.20340612
-0.00108482 -0.00082150 -0.00090786
-0.00644427 -0.01014024 0.00106461
-34.14172639 3.40116651 1.76820120
0.00065784 -0.00013425 -0.00083287
0.02040712 -0.01719573 0.00297195
12.75466502 12.92313917 -15.32247472
0.00059572 0.00121214 0.00068802
-0.01834137 -0.01537310 -0.01334434
15.59596558 12.72848377 -14.67058193
0.00078276 -0.00040825 0.00101431
-0.01427124 0.00792273 -0.01079514
-3.94276476 8.79802029 4.44344736
0.00001403 0.00004083 -0.00084451
-0.00396240 0.00351842 0.01023218
-3.62963502 7.00391553 2.22986215
0.00013025 0.00015251 -0.00123436
-0.00754702 -0.01233469 0.02042756
6.13161064 15.76105775 -10.01594526
-0.00000785 -0.00010614 0.00096627
-0.00340305 0.01440549 0.01348046
7.64024886 16.97975877 -7.81063272
-0.00001823 0.00029402 0.00047561
-0.00769254 -0.00169024 -0.00456634
7.64148651 7.25314382 -22.57019314
-0.00054397 0.00038794 0.00028172
0.01808740 0.00010891 -0.02485269
7.81203380 8.19227307 -19.82584097
-0.00008457 0.00137639 -0.00068758
0.00693911 0.00323865 -0.00139213
21.62725259 17.72995356 -2.50949797
-0.00027635 -0.00060354 -0.00006348
0.01102230 -0.00783120 0.00963834
24.43532547 17.80037731 -3.34802625
-0.00035706 -0.00016248 -0.00040972
0.01164507 0.01229383 -0.01772503
1.13815969 11.11678429 -21.29040612
-0.00036464 -0.00023812 0.00096969
0.00436389 0.02087851 0.01276126
0.62435645 13.79954654 -22.29647541
0.00001122 0.00012458 -0.00007591
0.00511467 0.00952410 0.00472783
9.83287485 -5.23958845 -1.69751612
-0.00023541 -0.00158900 -0.00018789
0.00343656 -0.01027317 0.00217530
9.56962505 -2.73997534 -3.10906740
0.00105173 -0.00041006 -0.00144354
0.00384742 -0.00288198 0.01534309
-18.72150581 -4.21951006 5.28849099
0.00040453 -0.00083017 0.00014697
0.00492837 0.00789555 0.00149815
-17.22554920 -3.17883123 3.05784673
-0.00083397 -0.00052719 -0.00009963
-0.00953191 0.00714005 0.01391567
-15.40648864 0.36834817 16.71546397
0.00006084 0.00047482 -0.00029042
0.00088923 -0.00191586 0.01208382
-13.72532185 1.03973105 18.95865131
-0.00014239 -0.00003293 0.00019300
-0.01754042 -0.00522862 0.00075356
3.10607555 3.95819094 -4.18992531
0.00004515 0.00036061 0.00080739
0.00174944 -0.01235631 0.00649666
3.27019529 1.08219169 -3.15677431
0.00023553 0.00072598 -0.00044016
0.00453721 0.02726759 -0.00668756
23.18086183 -9.69793419 -10.39042914
0.00094475 -0.00014107 -0.00008091
0.00005435 0.02987432 0.00838748
24.89438051 -7.95067890 -8.66079538
-0.00014195 -0.00025437 -0.00041937
0.02157276 0.00368667 0.01331188
2.41051439 -9.09412371 5.74575781
-0.00009154 -0.00045679 0.00051210
0.00366136 -0.00470169 -0.02137363
2.33638176 -8.25581699 8.34648080
-0.00142193 -0.00000873 0.00005378
-0.00452130 0.01596177 0.00150349
-3.49925481 -2.78429920 -17.85064618
0.00064642 0.00100042 -0.00063681
-0.00626725 -0.00890954 0.00417187
-5.05925756 -0.41020728 -17.05275046
-0.00013872 -0.00044834 -0.00005085
-0.00250155 -0.00248525 0.00937864
1.93828133 4.77186993 -11.94813130
0.00016840 0.00015158 0.00085036
0.02629345 -0.00306235 0.00684628
1.79651712 4.12437258 -9.25586078
-0.00067442 0.00098777 -0.00000698
0.01611907 -0.00479781 0.00029920
-0.94141371 16.29140574 13.23042993
0.00011806 -0.00071985 0.00080187
-0.02116743 -0.00513321 0.01956904
-2.47645301 17.13121652 15.70499093
0.00039285 -0.00023678 0.00003747
0.00698417 0.00337930 0.04344414
-1.86455242 1.17798986 -5.52274371
-0.00055531 -0.00005964 0.00071757
-0.00159085 0.00486976 0.00090701
-2.87614109 0.88268527 -8.18269660
-0.00020642 0.00044250 0.00117448
-0.01568760 -0.02017687 -0.02731689
-8.18809757 -3.10266105 -4.65561684
0.00014347 0.00060025 0.00108472
-0.03167877 -0.01361833 -0.00269781
-7.32240051 -0.37910590 -3.91403330
0.00008921 -0.00064216 -0.00010375
-0.00196719 -0.00954803 -0.00555484
1.17059714 28.23798214 5.78686898
-0.00034491 -0.00025635 0.00019121
0.03712045 0.00103787 -0.03613470
-1.25801546 28.28464044 6.66621796
0.00096477 -0.00065526 0.00036078
-0.05625870 -0.00048462 -0.00741583
8.35572023 -9.27679346 -2.06669182
-0.00040179 -0.00061324 0.00053195
-0.00264146 0.00138762 -0.00343662
10.15506073 -9.92920926 0.15032351
0.00028085 0.00076270 -0.00039567
0.00728743 0.00944092 -0.01045850
-5.91606370 0.41218493 9.29032669
0.00100797 0.00035910 0.00064952
-0.00617442 -0.00707868 -0.02058645
-8.51204154 -0.17300316 8.12531663
-0.00043485 0.00004809 -0.00074991
-0.01059438 -0.00751645 0.00288222
19.51406362 11.32863635 7.99333331
-0.00039674 0.00039838 0.00048067
0.01992955 -0.01105111 0.03187158
19.49180795 13.24755234 5.92789618
0.00010748 -0.00020528 0.00140199
0.01075166 0.01658646 -0.00805857
-2.67985272 -2.37352168 -22.47999638
-0.00032572 0.00037774 -0.00110635
0.00436109 0.04930231 0.02097243
-4.91549744 -3.50956415 -24.29850948
0.00031200 0.00059381 0.00022918
0.02233812 0.01692733 0.01465357
-12.46665823 9.15816508 9.62425552
0.00007239 -0.00011294 0.00016270
-0.00131318 -0.00149108 -0.00140752
-13.01133959 8.82272824 6.76429856
0.00060989 0.00060143 0.00069969
-0.00158756 0.00119429 0.01042350
-12.81513671 7.31853810 -4.63913008
-0.00067183 0.00013454 0.00012802
0.00093688 0.00796763 0.01135941
-11.70120882 9.06248194 -2.48157200
-0.00057215 0.00050856 0.00009967
0.00409691 0.02522626 -0.00010470
-4.97607560 -17.39133187 19.77713962
-0.00087743 -0.00009864 -0.00044097
0.02405581 0.02136164 0.02451321
-2.09003599 -16.77209883 19.36218503
-0.00069645 0.00112753 -0.00014841
-0.00887143 0.00637756 0.01399362
-3.52053019 5.35580735 -7.08010734
0.00059787 0.00012315 -0.00049439
0.00276321 0.01365114 -0.00289928
-3.93609645 8.46901347 -6.61303418
-0.00077260 -0.00110740 -0.00005861
0.00529652 -0.02959134 -0.02246078
-21.13711928 28.07538206 0.55863801
-0.00004524 -0.00065897 0.00099670
-0.00604622 0.00231313 0.00288841
-18.83876910 29.58214684 1.24932516
0.00114171 0.00060107 -0.00135013
0.00270446 0.00628652 0.00098716
8.45994489 2.68393068 6.44777251
-0.00030942 0.00063098 0.00102509
-0.02479322 -0.01906242 -0.02967640
9.23628739 4.79189052 8.08565264
0.00072170 -0.00124459 0.00015903
0.01662195 -0.01825505 -0.00359744
7.27145406 15.67124308 -14.31606078
0.00083110 0.00171225 0.00075190
-0.01312974 -0.02620805 0.02782755
6.93074161 12.79363047 -13.13856032
0.00111791 0.00168175 0.00002038
-0.00546647 0.03562536 -0.00329912
13.18126037 5.09108738 -3.30048906
-0.00048974 -0.00069950 0.00095285
-0.02222888 0.02742821 -0.00981418
13.19191935 3.05247156 -1.35350411
-0.00123494 -0.00111087 0.00005397
-0.00712450 -0.00256331 0.02595798
-5.08994005 9.64435934 -0.32589002
0.00117627 -0.00011417 -0.00118013
0.02094877 -0.02144322 -0.00270569
-7.83474641 10.14493154 -0.40330964
0.00072225 -0.00053428 -0.00042020
-0.01675650 -0.00269413 0.00761529
4.65744322 13.09837349 2.16485363
-0.00001294 0.00058883 -0.00059162
0.00658181 -0.00586495 -0.00508065
7.64939544 12.21198525 2.62629055
-0.00067209 0.00106459 0.00063384
-0.02967709 0.01521971 0.00725673
21.14336021 -12.93646536 -10.32420565
0.00073087 -0.00050198 0.00010315
-0.02236909 -0.01762393 0.02536467
22.46944979 -13.54982949 -12.77856568
0.00088462 0.00096917 0.00041466
0.00679208 -0.01043298 -0.01473120
17.89015501 -5.96528439 1.89154502
-0.00119166 0.00009720 -0.00029281
-0.02156963 0.00515602 0.02429672
16.39246794 -8.04901831 2.97694866
0.00012929 -0.00047462 -0.00078410
-0.01043564 -0.00494968 0.00784487
14.34081315 8.17022542 10.80361399
-0.00006343 0.00050557 -0.00011557
-0.00896313 0.00875493 0.00167132
16.69246637 6.54824940 10.85542004
0.00022874 -0.00006887 -0.00042248
-0.00776204 0.00475778 -0.00485923
1.68534418 -13.39347825 15.07081867
-0.00150834 -0.00030503 0.00082135
0.01209211 0.01244343 0.01927561
3.58155248 -12.34628562 17.41246990
-0.00042051 -0.00031329 -0.00019951
-0.01374062 0.00025881 -0.02028702
-3.47131965 -2.75120248 -9.90399809
0.00007241 0.00027902 0.00039312
-0.00238603 0.01864131 -0.01040916
-1.99601726 -0.93736216 -11.67948475
0.00015725 -0.00126857 -0.00038634
0.03174794 0.00567572 -0.01714358
15.15842212 -7.75541929 -11.45172582
0.00000043 -0.00075259 0.00076370
-0.01129358 -0.00609491 0.04143917
16.97985447 -7.02712923 -9.26137715
-0.00008331 -0.00036435 -0.00036869
0.00517878 0.00295331 0.01451629
7.52518428 -3.04271084 5.60335396
-0.00053151 -0.00040191 -0.00011532
0.00428222 -0.00413537 0.00340011
10.28765074 -3.88562280 5.04039516
0.00071163 -0.00118325 0.00071496
0.01790750 0.00064314 -0.02755257
-21.06986326 1.00078090 22.76552714
0.00064912 -0.00034150 0.00056307
-0.01133698 0.00807544 0.02184936
-23.15752916 0.68709230 25.01348381
-0.00069694 0.00013433 -0.00067403
0.01970662 0.00941280 -0.00928777
25.69336051 -2.51170151 -7.95874347
0.00040518 0.00045813 0.00026196
0.01141149 -0.01384235 0.00030654
23.66291875 -0.67771583 -7.30380786
0.00006119 -0.00036087 -0.00034475
-0.00134329 0.00195021 0.00477718
11.18801318 -12.93492344 -8.71797891
-0.00057437 0.00085618 -0.00034891
-0.00840474 0.00183999 0.01459622
12.77628139 -10.46195993 -9.48404048
0.00054754 -0.00073168 -0.00017172
0.01720033 0.02009268 0.01289512
-5.66215043 -10.37767183 18.18202312
-0.00034816 -0.00006338 0.00026512
0.01652002 -0.00383981 0.00325535
-6.09784328 -9.96656256 15.48249783
0.00119822 -0.00023358 0.00006511
-0.00952002 0.00967753 -0.02958011
9.19878764 1.25647563 -31.75906843
0.00021663 -0.00024047 -0.00009311
0.00335883 -0.01885561 -0.00768424
6.64405194 2.71985802 -31.82204378
0.00065229 0.00021723 -0.00130700
0.01563707 -0.00371926 0.00806300
11.40588943 17.92912350 13.09457841
-0.00007673 -0.00111285 -0.00015422
-0.00307220 -0.00979580 0.01592787
11.91143509 15.39098929 14.56423770
0.00018727 -0.00036469 -0.00054420
-0.00878095 0.02742544 -0.00331902
30.94737470 5.42812026 -7.86016149
0.00064006 -0.00006433 0.00009706
-0.00345467 0.01048198 -0.00319099
28.75802469 7.38969975 -7.46785330
0.00128449 -0.00037013 -0.00040196
0.02858929 0.00485204 -0.00038454
-8.40441858 4.83215868 5.65166445
0.00007729 -0.00006300 0.00003609
0.00765871 0.00439570 0.00134503
-10.73254120 10.13885481 3.37198511
0.00002040 -0.00003531 -0.00008965
-0.00682165 -0.00556549 0.00618453
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08424194
0.33549489
447.03011948
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3850259979 (a.u.)
total exchange computation time: 2.8528649807 s
-154.1864126189
-931.41961824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3844710402 (a.u.)
total exchange computation time: 2.8538880348 s
-154.1915402842
Anderson extrapolation: theta=1.3466397193 (1.3466397193)
-931.41984272
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3836189930 (a.u.)
total exchange computation time: 2.8532807827 s
-154.1990846211
Anderson extrapolation: theta=0.0510598937 (0.0510598937)
-931.41997559
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3834907411 (a.u.)
total exchange computation time: 2.8549380302 s
-154.2000441737
Anderson extrapolation: theta=1.8996131816 (1.8996131816)
-931.41998033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3832164967 (a.u.)
total exchange computation time: 2.8542799950 s
-154.2020382611
Anderson extrapolation: theta=0.2179200176 (0.2179200176)
-931.41998510
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3831443824 (a.u.)
total exchange computation time: 2.8547921181 s
-154.2025120910
Anderson extrapolation: theta=1.8627163253 (1.8627163253)
-931.41998595
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3830265694 (a.u.)
total exchange computation time: 2.8550431728 s
-154.2032286366
Anderson extrapolation: theta=0.2845677630 (0.2845677630)
-931.41998692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3830114594 (a.u.)
total exchange computation time: 2.8561129570 s
-154.2032623221
Anderson extrapolation: theta=1.3012567667 (1.3012567667)
-931.41998713
-211.811920 76.365739 -36.090715
566.594851 1066.308460 -418.619849
354.782931 1142.674199 -454.710565
1279.975371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1431043807
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3830069490 (a.u.)
total exchange computation time: 2.8529930115 s
678.95063556
-1084.17497349
89.81931897
-388.79566514
-174.83629621
78.51325648
551.60419304
0.00000000
-931.41998726
5.43675960 -31.31234524 -3.76239043
-0.00037864 -0.00021113 0.00002836
0.00025622 0.01721357 -0.02611792
-11.87233667 -0.96472035 -11.82860386
-0.00000894 0.00009805 0.00005244
0.00935549 0.00623278 0.01053904
-37.86968478 2.37093357 3.24341840
0.00003638 0.00026299 -0.00030089
-0.00907681 -0.02140549 0.01590181
-9.93098526 -2.69661729 2.50329475
-0.00053368 0.00028536 0.00007612
0.00466635 0.00967779 0.01550036
0.86337751 -0.32112493 8.94743795
0.00019973 -0.00029725 -0.00001971
-0.02516600 -0.02773387 -0.03329991
-32.39621764 2.72795620 1.80297312
-0.00000683 0.00006264 0.00001343
-0.01012248 0.01146255 -0.00276941
14.06915072 13.81002037 -14.51994529
0.00010651 0.00019920 -0.00038100
0.04960605 0.01093693 0.02735742
-4.26792827 7.03925252 4.00027011
-0.00053034 -0.00015061 0.00001544
0.01580590 0.00118884 -0.03304672
5.87733808 16.68778434 -8.35509939
0.00027637 -0.00015394 0.00019281
0.00999525 -0.01292771 -0.00236175
6.74778242 7.29513287 -21.01116361
-0.00022224 0.00010894 0.00008920
-0.02439886 -0.00702665 0.02834709
23.34385669 17.10425828 -2.11298125
-0.00014731 -0.00006988 0.00028227
-0.01099195 -0.00740953 0.00378365
1.42590870 12.95284079 -20.87775999
0.00007304 0.00002348 0.00018508
-0.01089237 -0.03502331 -0.02039024
10.44585745 -3.51926070 -1.66740762
0.00011126 0.00028545 -0.00006362
-0.01811117 -0.00995112 -0.03247914
-17.80108904 -2.68755774 4.76265677
0.00021676 0.00001458 0.00010421
-0.00172915 -0.02518524 -0.01812908
-15.26805747 0.09535953 18.54671723
0.00016911 -0.00013887 -0.00015449
0.02411586 0.00397384 -0.01723754
2.60165413 2.80352250 -2.84839674
-0.00050376 0.00012774 0.00020440
-0.01169056 -0.00746452 0.00101111
23.46136181 -7.91563971 -9.71197923
0.00012237 -0.00018873 -0.00021624
-0.01991827 -0.02702022 -0.02535587
1.54700194 -7.87019788 6.73807181
0.00036322 0.00013378 0.00019490
-0.00299830 0.00311195 0.00912852
-3.59391739 -0.98409504 -18.00185190
0.00041905 0.00026828 0.00030072
0.01488769 0.01456120 -0.01223853
3.11387604 4.25088443 -10.55055697
-0.00038979 -0.00005548 0.00022147
-0.03999270 0.00486575 -0.00412557
-2.63626972 16.84131877 13.99547906
-0.00005368 0.00010313 0.00003306
0.01441379 -0.00100930 -0.06264698
-2.27497438 2.11665177 -7.03219986
0.00000635 0.00005258 -0.00006252
0.02082708 0.01901917 0.03585773
-6.78482778 -2.03839482 -4.51859620
-0.00024414 -0.00002042 -0.00016215
0.03777764 0.02241113 0.00722294
0.35986964 28.30928095 7.34517751
-0.00011990 0.00014858 -0.00002226
0.02634548 -0.00366562 0.04146896
10.11938141 -9.14266003 -1.54650359
0.00024921 -0.00006785 -0.00016660
-0.00386560 -0.00785747 0.00428443
-6.91303492 0.53241996 7.68088377
-0.00029069 0.00033675 0.00024501
0.01775925 0.01358543 0.01806180
18.82493594 11.65394175 6.40252517
0.00027157 -0.00014108 0.00010391
-0.03116422 -0.01013884 -0.02110238
-3.35340932 -3.77564661 -23.23863066
-0.00016779 0.00024541 0.00007844
-0.03472612 -0.06158340 -0.03707519
-13.64149844 8.34525058 8.45644716
-0.00003290 0.00004673 0.00025750
0.00514500 0.00074442 -0.01026502
-12.22924993 7.38687166 -2.83869125
-0.00029334 -0.00031756 -0.00045691
-0.00106676 -0.02162629 -0.00417510
-3.47750146 -16.39995549 20.53984877
-0.00027111 -0.00027117 0.00011954
-0.02018050 -0.02266372 -0.02916911
-3.51820146 7.04957849 -7.86113103
-0.00050375 0.00040889 0.00018350
-0.00246951 0.01972264 0.01404966
-20.68296504 29.68337955 1.32093360
-0.00008901 0.00028159 -0.00001678
0.01245492 -0.00939548 -0.00206201
9.87743294 3.10307144 7.42762747
-0.00000377 0.00000897 -0.00015602
0.01166613 0.04634872 0.03207084
6.38907133 14.60311718 -12.94736118
0.00005136 -0.00002205 0.00043478
0.02630151 -0.00203327 -0.02592541
14.13690930 3.71080469 -2.73753368
0.00014408 -0.00019529 0.00005302
0.02768435 -0.03065784 -0.01086719
-6.25101918 10.98536566 -0.34551407
0.00003073 -0.00016039 0.00015596
0.00827693 0.02410733 -0.00944952
6.21563375 13.32306686 3.13300955
0.00034545 0.00024773 0.00001608
0.01088529 0.00011124 0.00445566
21.85836868 -12.17838637 -11.76120488
-0.00012375 0.00008701 -0.00023179
0.00523046 0.02799246 0.00090424
16.77640581 -6.31365119 3.40925407
0.00032233 0.00017755 -0.00000030
0.02725637 -0.00322026 -0.03861837
15.34758705 7.10607877 9.71495481
0.00017768 -0.00033484 -0.00036859
0.01005658 -0.01069184 0.00249838
3.00637632 -13.72694015 16.30597542
-0.00000104 0.00018525 -0.00035599
0.00634513 -0.01751109 -0.00348253
-3.57427390 -1.10200786 -10.86551829
-0.00009336 -0.00034466 -0.00009111
-0.02753126 -0.01677172 0.03046745
15.35098692 -7.84146069 -9.49879860
-0.00002996 0.00022611 -0.00013648
-0.01185698 -0.00107872 -0.05063807
9.13298749 -3.64339911 6.36053949
0.00051698 -0.00045792 -0.00003307
-0.04247791 0.00206389 0.03214871
-21.58115690 1.58603578 24.46103606
-0.00020621 -0.00003555 -0.00014839
-0.00880188 -0.01207769 -0.00682393
24.90696195 -1.74763867 -6.50676266
-0.00003150 -0.00002274 -0.00013794
-0.01094310 0.00930392 -0.00434269
11.83822603 -11.86678568 -10.02249220
0.00030268 -0.00013669 -0.00007237
-0.01075270 -0.02330233 -0.03208610
-4.73935427 -10.37907065 16.56420784
0.00012417 -0.00028525 -0.00010346
0.00339925 -0.01513102 0.04118461
8.21796456 2.46205294 -30.84597783
0.00006260 0.00033857 -0.00046899
-0.02881325 0.01423908 0.00501623
10.95331954 17.00104374 14.65343374
0.00016418 -0.00024642 -0.00024645
0.01452731 -0.01004311 -0.00992035
30.65524643 7.26378863 -7.49951833
-0.00024224 -0.00007261 0.00035730
-0.01773136 -0.01531184 -0.00006682
5.68279241 -30.08210688 -5.21394926
-0.00070111 0.00012790 0.00014383
-0.00718722 -0.01931272 0.02162820
3.98070062 -30.71008666 -2.83443530
0.00072909 0.00079361 0.00016175
0.00092967 0.00544335 0.00118919
-12.62662614 -1.80237789 -13.31577359
-0.00037085 -0.00044243 0.00030929
0.00459795 -0.00441499 -0.00049653
-11.68208385 0.79908240 -12.35406211
-0.00013204 0.00087150 0.00007181
-0.00242601 -0.00779851 -0.01240769
-38.05424521 4.00738123 2.57102559
0.00080984 0.00018782 0.00103050
0.00503280 0.03447289 -0.01535429
-39.63977326 1.91270423 3.37116669
0.00028224 -0.00055555 0.00038838
0.00015749 -0.01232966 0.00187606
-9.90784083 -3.48587629 0.85881647
-0.00074283 -0.00017862 0.00016873
-0.00572369 0.00381476 -0.00560582
-8.57953705 -3.44510508 3.43466621
0.00055670 -0.00045855 0.00067590
0.01601379 -0.00641500 0.00309661
0.26854346 -0.70774391 7.16336550
0.00103618 0.00004148 -0.00005516
0.02004408 0.01545828 0.03678957
1.87974995 1.15970065 8.95535432
-0.00015287 0.00020872 -0.00038493
0.00639172 0.00923332 -0.00559667
-32.47789539 0.92948239 2.18982080
-0.00110916 -0.00085297 -0.00090506
-0.00546958 -0.00526558 0.00030669
-34.13123344 3.39862582 1.75579918
0.00073184 -0.00019972 -0.00082055
0.01581360 -0.01485354 0.00305959
12.76303884 12.94085025 -15.31256334
0.00050331 0.00113600 0.00062218
-0.02689550 -0.02189939 -0.01888265
15.60726966 12.72260280 -14.65569801
0.00071532 -0.00037101 0.00096877
-0.01874133 0.01030574 -0.01149869
-3.94267570 8.79874057 4.43109330
-0.00000286 0.00005354 -0.00080163
-0.00430846 0.00270268 0.01075666
-3.62791253 7.00582527 2.21197264
0.00009325 0.00010111 -0.00113553
-0.01056493 -0.01282726 0.02795239
6.13138865 15.75990710 -10.00103815
-0.00002001 -0.00005107 0.00101433
-0.00255250 0.01255110 0.01004805
7.63973972 16.98411723 -7.80363855
-0.00004808 0.00028667 0.00045666
-0.00691895 -0.00190487 -0.00470652
7.63388119 7.25896632 -22.56672891
-0.00046859 0.00038746 0.00017554
0.01881295 -0.00034573 -0.02712456
7.81097785 8.21301822 -19.83619734
-0.00005822 0.00138804 -0.00069376
0.00596007 0.00246156 -0.00163110
21.62344507 17.72066042 -2.51015477
-0.00023143 -0.00063524 -0.00002367
0.01096801 -0.00768416 0.00984523
24.43032636 17.79831686 -3.35471517
-0.00031322 -0.00011468 -0.00047779
0.00981769 0.01110419 -0.01559882
1.13282384 11.11385227 -21.27546975
-0.00034656 -0.00015131 0.00102086
0.00448757 0.02161654 0.01228938
0.62468152 13.80170712 -22.29746924
0.00003389 0.00016069 -0.00005358
0.00598225 0.00815331 0.00620685
9.82944898 -5.26373825 -1.70026782
-0.00021191 -0.00160431 -0.00017881
0.00806878 0.00277715 0.00226979
9.58551882 -2.74621451 -3.13025038
0.00106890 -0.00042396 -0.00137714
0.00455963 -0.00392429 0.01715960
-18.71528691 -4.23172068 5.29074148
0.00042771 -0.00079114 0.00015254
0.00641833 0.01121180 0.00122639
-17.23835087 -3.18652021 3.05677875
-0.00087139 -0.00049670 -0.00004378
-0.00878493 0.00778256 0.01342138
-15.40554885 0.37541169 16.71147796
0.00006487 0.00046656 -0.00023816
0.00108630 -0.00212632 0.01349981
-13.72799519 1.03907681 18.96156943
-0.00021217 -0.00005339 0.00019640
-0.01661671 -0.00478581 0.00090956
3.10680635 3.96322149 -4.17761543
0.00005253 0.00031276 0.00083224
0.00186439 -0.01106941 0.00567035
3.27386720 1.09391700 -3.16358170
0.00025439 0.00083376 -0.00046648
0.00469529 0.02548842 -0.00619535
23.19503481 -9.69913473 -10.39138584
0.00094287 -0.00002123 -0.00004778
-0.00097521 0.02878654 0.00783125
24.89291230 -7.95438153 -8.66667800
-0.00004934 -0.00023861 -0.00036154
0.02376313 0.00402875 0.01499529
2.40925346 -9.10111964 5.75278431
-0.00007665 -0.00047542 0.00042576
0.00363062 -0.00441944 -0.02088886
2.31491429 -8.25545881 8.34733359
-0.00143426 0.00005366 0.00007097
-0.00151654 0.01457720 0.00691245
-3.48975062 -2.76956585 -17.86007044
0.00062202 0.00095052 -0.00061902
-0.00567521 -0.01551857 0.00453231
-5.06141508 -0.41700857 -17.05322576
-0.00014837 -0.00045784 -0.00001271
-0.00221915 -0.00216180 0.00929108
1.94161297 4.77404980 -11.93516610
0.00027082 0.00014134 0.00087020
0.02384555 -0.00194891 0.00286660
1.78689477 4.13904206 -9.25595634
-0.00060809 0.00096713 -0.00000407
0.01635103 -0.00530353 0.00112409
-0.94029139 16.28045062 13.24305759
0.00003050 -0.00073989 0.00087970
-0.02169700 -0.00467249 0.01853313
-2.47034620 17.12776834 15.70688416
0.00042017 -0.00022324 0.00021402
0.00638914 0.00324731 0.04297900
-1.87293078 1.17724454 -5.51195240
-0.00056327 -0.00003442 0.00071399
-0.00230801 0.00747369 -0.00265902
-2.87971808 0.88870452 -8.16591652
-0.00027593 0.00034961 0.00105234
-0.01833950 -0.02529590 -0.03246904
-8.18691626 -3.09407462 -4.63942874
0.00000355 0.00053521 0.00107295
-0.03681059 -0.01821908 -0.00306002
-7.32112266 -0.38903092 -3.91575977
0.00007922 -0.00067197 -0.00012334
-0.00292134 -0.00504389 -0.00403472
1.16656092 28.23416876 5.78862987
-0.00019054 -0.00025225 0.00004055
0.03844443 0.00096459 -0.03761424
-1.24526781 28.27479663 6.67140235
0.00071486 -0.00065768 0.00032388
-0.06607352 -0.00069711 -0.01064694
8.34961249 -9.28594958 -2.05881786
-0.00040621 -0.00060635 0.00051822
0.00047629 0.00198384 -0.00328592
10.15949673 -9.91747951 0.14406798
0.00031181 0.00079776 -0.00043053
0.00787006 0.00772423 -0.00660589
-5.90113343 0.41735449 9.29943872
0.00097382 0.00032915 0.00055690
-0.01054058 -0.00758225 -0.02475266
-8.51888898 -0.17251217 8.11415633
-0.00047618 0.00001747 -0.00073573
-0.00963447 -0.00747246 0.00405588
19.50872327 11.33427335 8.00152003
-0.00031644 0.00035134 0.00061037
0.01937852 -0.01197350 0.03161499
19.49374963 13.24498144 5.94867913
0.00015365 -0.00013015 0.00136532
0.01184713 0.02018865 -0.00989511
-2.68460486 -2.36634486 -22.49594896
-0.00030337 0.00058583 -0.00101732
0.00658018 0.05256162 0.02260640
-4.91013287 -3.50013833 -24.29462271
0.00039910 0.00066177 0.00028584
0.02029794 0.01633882 0.01308298
-12.46561265 9.15642528 9.62665292
0.00006669 -0.00011901 0.00015823
-0.00147750 -0.00147983 -0.00078384
-13.00223991 8.83178623 6.77511336
0.00060249 0.00060546 0.00074035
-0.00203390 0.00078182 0.00948073
-12.82518551 7.32080039 -4.63686175
-0.00066899 0.00016669 0.00016964
0.00045697 0.00777057 0.00901667
-11.70966556 9.07088337 -2.48008014
-0.00055956 0.00059760 0.00009636
0.00206589 0.01835637 -0.00151369
-4.98849986 -17.39215687 19.77127627
-0.00077568 -0.00000975 -0.00033861
0.02574905 0.02215091 0.02559366
-2.10075465 -16.75499046 19.36038762
-0.00072788 0.00115173 -0.00009516
-0.00651236 0.00546964 0.01207649
-3.51147745 5.35807297 -7.08761196
0.00060841 0.00017804 -0.00050573
0.00239779 0.01321822 -0.00265628
-3.94752316 8.45149567 -6.61460165
-0.00075286 -0.00121876 -0.00014273
0.00436637 -0.02491929 -0.01871538
-21.13798319 28.06556837 0.57367704
-0.00006831 -0.00064450 0.00101072
-0.00524444 0.00477205 0.00397631
-18.82156062 29.59135555 1.22910353
0.00113593 0.00062707 -0.00134470
-0.00553076 0.00643831 0.00166864
8.45454392 2.69281129 6.46223947
-0.00041766 0.00054971 0.00089832
-0.02819219 -0.02072246 -0.03237669
9.24762228 4.77266228 8.08792778
0.00078607 -0.00130653 0.00014918
0.01488824 -0.01206447 -0.00122338
7.28351816 15.69612379 -14.30392959
0.00077309 0.00159935 0.00087139
-0.01526475 -0.02905807 0.03066665
6.94734271 12.81994840 -13.13835573
0.00109940 0.00181087 0.00000575
-0.00359538 0.02758022 -0.00386214
13.17323312 5.08143530 -3.28649701
-0.00058311 -0.00058220 0.00090986
-0.02347448 0.02999268 -0.01123176
13.17317699 3.03572999 -1.35189908
-0.00125326 -0.00111598 0.00014772
-0.00184282 0.00006072 0.01993322
-5.07165404 9.64198966 -0.34367488
0.00125226 -0.00019147 -0.00119170
0.01624957 -0.01639584 -0.00296029
-7.82442616 10.13683471 -0.40937928
0.00064797 -0.00054936 -0.00038918
-0.01960100 -0.00468748 0.00756656
4.65745081 13.10702621 2.15582367
0.00002026 0.00056561 -0.00060753
0.00967046 -0.00550296 -0.00270628
7.63840465 12.22842051 2.63602052
-0.00077842 0.00111537 0.00065782
-0.02237300 0.00963522 0.00447934
21.15363787 -12.94453518 -10.32188108
0.00064148 -0.00057168 0.00020305
-0.02139009 -0.01649255 0.02353521
22.48292728 -13.53561158 -12.77279718
0.00091544 0.00091907 0.00034844
0.00829450 -0.01409150 -0.01768311
17.87161913 -5.96366838 1.88789734
-0.00127357 0.00012099 -0.00019883
-0.01852500 0.00648808 0.02171038
16.39408748 -8.05628923 2.96542759
0.00008895 -0.00048301 -0.00074784
-0.00931001 0.00084235 0.00990418
14.33958704 8.17807730 10.80193161
-0.00009325 0.00053369 -0.00011570
-0.00563165 0.00500646 -0.00173132
16.69565954 6.54736221 10.84893389
0.00019756 -0.00004976 -0.00044158
-0.00749882 0.00459265 -0.00448660
1.66308956 -13.39767242 15.08372959
-0.00145669 -0.00025458 0.00090216
0.01319475 0.01225354 0.02028021
3.57482380 -12.35097703 17.40885555
-0.00047550 -0.00030771 -0.00027838
-0.01317966 0.00247099 -0.01831831
-3.47030656 -2.74644588 -9.89842023
0.00006171 0.00035192 0.00035191
-0.00285417 0.01704174 -0.00976601
-1.99268559 -0.95621685 -11.68580513
0.00028136 -0.00124507 -0.00045373
0.02900137 0.00583054 -0.01584615
15.15808243 -7.76689495 -11.43900047
-0.00004620 -0.00077543 0.00092421
-0.01153114 -0.00508431 0.03713021
16.97876353 -7.03250398 -9.26646272
-0.00005819 -0.00034983 -0.00030876
0.00711496 0.00415466 0.01481969
7.51734284 -3.04886629 5.60172836
-0.00050352 -0.00042236 -0.00009867
0.00941915 -0.00587095 0.00474768
10.29887386 -3.90335180 5.05027525
0.00078642 -0.00118105 0.00059835
0.01870497 0.00043269 -0.02952908
-21.06047381 0.99590590 22.77464278
0.00060379 -0.00030991 0.00064750
-0.01085620 0.00738570 0.01947577
-23.16737938 0.68939573 25.00308870
-0.00061491 0.00017341 -0.00071172
0.02044934 0.00971374 -0.00916207
25.69978793 -2.50525372 -7.95480463
0.00045390 0.00039944 0.00025939
0.01243720 -0.01488531 -0.00156747
23.66379543 -0.68306910 -7.30883277
0.00005373 -0.00035121 -0.00032620
-0.00230908 0.00278018 0.00430365
11.17914006 -12.92202433 -8.72276535
-0.00061131 0.00085887 -0.00028384
-0.00967766 -0.00052542 0.01725966
12.78502158 -10.47231937 -9.48622114
0.00062073 -0.00064471 -0.00011709
0.01862532 0.02247714 0.01384591
-5.66686665 -10.37874021 18.18609962
-0.00027737 -0.00007883 0.00027152
0.01813316 -0.00372217 -0.00011842
-6.08016172 -9.96976976 15.48256811
0.00114727 -0.00019032 -0.00006486
-0.01541988 0.01149780 -0.03404217
9.20213994 1.25229086 -31.76070055
0.00022823 -0.00031480 -0.00012156
0.00232078 -0.01753023 -0.00624294
6.65431541 2.72300256 -31.84140172
0.00071454 0.00020270 -0.00127354
0.01483464 -0.00339681 0.00831724
11.40464432 17.91213063 13.09275315
-0.00008763 -0.00114762 -0.00009556
-0.00226404 -0.00722833 0.01278577
11.91397513 15.38635939 14.55597293
0.00015059 -0.00025221 -0.00055646
-0.00917585 0.02763186 -0.00268198
30.95686975 5.42747653 -7.85880345
0.00062483 -0.00001960 0.00008445
-0.00400092 0.01141234 -0.00297795
28.77816809 7.38429640 -7.47389441
0.00138221 -0.00034924 -0.00040336
0.01924457 0.00537631 -0.00030154
-8.40323872 4.83122546 5.65220940
0.00008004 -0.00006143 0.00003655
0.00774645 0.00438553 0.00121533
-10.73224708 10.13831543 3.37065110
0.00001880 -0.00003661 -0.00008823
-0.00694415 -0.00557890 0.00608501
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08426105
0.33572621
447.33834248
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3900489854 (a.u.)
total exchange computation time: 2.7110280991 s
-154.2121229870
-931.41822855
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3894788255 (a.u.)
total exchange computation time: 2.7095460892 s
-154.2178236904
Anderson extrapolation: theta=1.4116155449 (1.4116155449)
-931.41848187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3886334873 (a.u.)
total exchange computation time: 2.7101230621 s
-154.2262204200
Anderson extrapolation: theta=0.0792728612 (0.0792728612)
-931.41864993
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3885427803 (a.u.)
total exchange computation time: 2.7093751431 s
-154.2271713864
Anderson extrapolation: theta=2.5413043987 (2.0000000000)
-931.41866230
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3883741865 (a.u.)
total exchange computation time: 2.7116720676 s
-154.2290047707
Anderson extrapolation: theta=0.5398949643 (0.5398949643)
-931.41868034
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3883161909 (a.u.)
total exchange computation time: 2.7097451687 s
-154.2297375374
Anderson extrapolation: theta=0.7431706336 (0.7431706336)
-931.41868654
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3883142828 (a.u.)
total exchange computation time: 2.7105162144 s
-154.2299435041
Anderson extrapolation: theta=0.6601826547 (0.6601826547)
-931.41868977
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3883494571 (a.u.)
total exchange computation time: 2.7104899883 s
-154.2297736023
Anderson extrapolation: theta=0.5673560085 (0.5673560085)
-931.41869108
-211.770919 76.304555 -36.037579
566.625968 1066.313192 -418.591964
354.855050 1142.617748 -454.629542
1279.916186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3883946346 (a.u.)
total exchange computation time: 2.8111689091 s
679.03421325
-1084.37513300
89.82253145
-388.65932848
-174.85258007
78.62484917
551.60419304
0.00000000
-931.41869149
5.43108103 -31.31544584 -3.76206573
-0.00037785 -0.00020229 0.00001443
0.00278988 0.01717548 -0.02805864
-11.87243461 -0.96322552 -11.82777665
-0.00000416 0.00010221 0.00005747
0.00922551 0.00992744 0.00902743
-37.86917408 2.37479592 3.23896633
0.00003197 0.00025054 -0.00029209
-0.00805812 -0.02703463 0.01831842
-9.93897242 -2.69229952 2.50449630
-0.00052905 0.00028906 0.00008543
0.01331347 0.00469871 0.02072432
0.86627637 -0.32569068 8.94701388
0.00018741 -0.00031085 -0.00003658
-0.02275559 -0.02514489 -0.03229283
-32.39635910 2.72894002 1.80316383
-0.00001098 0.00006654 0.00001217
-0.00601148 0.00368311 -0.00211255
14.07093965 13.81305051 -14.52555477
0.00013503 0.00020579 -0.00036547
0.06131043 0.01468142 0.03305395
-4.27582237 7.03699796 4.00037430
-0.00052147 -0.00014970 -0.00000332
0.01868115 0.00235993 -0.03991465
5.88152222 16.68542534 -8.35221636
0.00028102 -0.00016001 0.00019264
0.00807829 -0.01067181 0.00170916
6.74435468 7.29673992 -21.00971632
-0.00023453 0.00010567 0.00010417
-0.02338478 -0.00570483 0.02989766
23.34160464 17.10318157 -2.10873267
-0.00015226 -0.00007335 0.00028349
-0.00825918 -0.00611097 0.00096418
1.42696236 12.95305794 -20.87506243
0.00006732 0.00000575 0.00017439
-0.01136691 -0.03391954 -0.02116839
10.44745646 -3.51501736 -1.66848722
0.00010080 0.00027749 -0.00008076
-0.02256353 -0.02101444 -0.03416531
-17.79784434 -2.68743626 4.76414998
0.00021541 0.00000068 0.00009520
-0.00352233 -0.02885482 -0.01689930
-15.26542775 0.09329181 18.54433337
0.00018107 -0.00013690 -0.00016374
0.02237247 0.00367454 -0.01873773
2.59405259 2.80540974 -2.84532676
-0.00050982 0.00012403 0.00020503
-0.01186666 -0.00694709 0.00143048
23.46312051 -7.91857483 -9.71532062
0.00011203 -0.00020228 -0.00022925
-0.02029159 -0.02568624 -0.02523425
1.55243869 -7.86817919 6.74103058
0.00036103 0.00013561 0.00019793
-0.00553436 0.00399505 0.00262376
-3.58757416 -0.98001461 -17.99738830
0.00042638 0.00027735 0.00029444
0.01360402 0.02070899 -0.01218826
3.10787492 4.25007100 -10.54725088
-0.00040959 -0.00005321 0.00022021
-0.03698561 0.00394383 -0.00077527
-2.63701940 16.84286185 13.99573330
-0.00004600 0.00010259 0.00000179
0.01546211 -0.00108035 -0.05896826
-2.27479883 2.11751385 -7.03299940
0.00001784 0.00006289 -0.00004216
0.02387960 0.02105798 0.04331996
-6.78834422 -2.03861467 -4.52100066
-0.00022345 -0.00000917 -0.00015883
0.04270880 0.02135014 0.00571171
0.35817276 28.31149544 7.34500361
-0.00010440 0.00014675 -0.00000035
0.03391763 -0.00344854 0.04370488
10.12310461 -9.14370805 -1.54898608
0.00024617 -0.00007153 -0.00016553
-0.00794524 -0.00646220 -0.00013449
-6.91732677 0.53752367 7.68462852
-0.00028086 0.00034372 0.00025489
0.02047656 0.01350845 0.02036226
18.82888924 11.65178643 6.40400240
0.00025561 -0.00014683 0.00009384
-0.03087822 -0.01220620 -0.01805379
-3.35606017 -3.77220299 -23.23759702
-0.00018529 0.00021357 0.00005973
-0.03330889 -0.06225556 -0.03569797
-13.64197216 8.34595438 8.46027010
-0.00003015 0.00004720 0.00025228
0.00555133 0.00107102 -0.01003783
-12.23365409 7.38202482 -2.84556106
-0.00029311 -0.00032678 -0.00045784
0.00195166 -0.01421852 0.00056056
-3.48164601 -16.40411046 20.54152942
-0.00028248 -0.00028266 0.00010496
-0.02401228 -0.02200167 -0.02755405
-3.52576716 7.05578786 -7.85832427
-0.00050452 0.00041773 0.00018949
-0.00053536 0.01467156 0.00921250
-20.68425208 29.68756713 1.32067390
-0.00008084 0.00027610 -0.00001825
0.01928875 -0.01193062 -0.00365589
9.87742135 3.10338481 7.42541084
0.00000328 0.00003129 -0.00013982
0.01574255 0.04044145 0.03093118
6.38994316 14.60277862 -12.94093948
0.00006479 -0.00002010 0.00042101
0.02591892 0.00961354 -0.02763117
14.13917736 3.70775712 -2.73678027
0.00015709 -0.00021199 0.00004915
0.02287211 -0.03430100 -0.00417880
-6.25052625 10.98305276 -0.34321106
0.00003692 -0.00014897 0.00015112
0.01577343 0.02030628 -0.00940395
6.22085742 13.32678329 3.13326789
0.00034805 0.00024937 0.00001853
-0.00074517 0.00625712 0.00508662
21.85653264 -12.17697325 -11.76467827
-0.00012182 0.00010180 -0.00022994
0.00225960 0.02952175 0.00628030
16.78134593 -6.31100040 3.40910056
0.00033518 0.00017412 -0.00001980
0.02271452 -0.01011097 -0.03720126
15.35029101 7.10101491 9.70943560
0.00018182 -0.00033933 -0.00036656
0.00605782 -0.00675514 0.00541312
3.00638526 -13.72422895 16.30062212
0.00000145 0.00017578 -0.00035844
0.00331287 -0.01933236 -0.00603872
-3.57578056 -1.10724246 -10.86676747
-0.00010648 -0.00035271 -0.00007622
-0.02346787 -0.01454218 0.02744988
15.35049173 -7.83807326 -9.50104117
-0.00003637 0.00022507 -0.00016125
-0.01305763 -0.00293443 -0.04565505
9.14057828 -3.65026000 6.36016743
0.00049372 -0.00045650 -0.00001649
-0.04793816 0.00345652 0.03231644
-21.58428407 1.58545595 24.45878382
-0.00021100 -0.00004155 -0.00015120
-0.00979822 -0.01126418 -0.00408983
24.90644729 -1.74794388 -6.50884846
-0.00003712 -0.00001796 -0.00013964
-0.01091022 0.00926953 -0.00226837
11.84272474 -11.86892591 -10.02370153
0.00029727 -0.00014854 -0.00008954
-0.01027170 -0.02278177 -0.03466278
-4.73747855 -10.38340769 16.56281488
0.00012679 -0.00029336 -0.00008046
0.00678305 -0.01644323 0.04824565
8.21879249 2.46718637 -30.85299339
0.00004843 0.00034530 -0.00046678
-0.02629233 0.01193005 0.00360293
10.95583829 16.99730869 14.64969866
0.00017145 -0.00025219 -0.00025075
0.01375726 -0.01238421 -0.00679383
30.65154447 7.26264042 -7.49415911
-0.00024875 -0.00008078 0.00035703
-0.00759861 -0.01644269 -0.00099303
5.67205551 -30.08078026 -5.21112899
-0.00072876 0.00004807 0.00023162
-0.00634549 -0.01976230 0.02134432
3.99166546 -30.69801570 -2.83197261
0.00072650 0.00081682 0.00017134
-0.00219666 0.00591621 0.00350488
-12.63204804 -1.80914967 -13.31114942
-0.00035046 -0.00045789 0.00030864
0.00538538 -0.00315017 0.00017795
-11.68413887 0.81191589 -12.35336512
-0.00014307 0.00082948 0.00002223
-0.00296947 -0.01276812 -0.01186129
-38.04194332 4.01125483 2.58601261
0.00082704 0.00033723 0.00096461
0.00338449 0.03866593 -0.01689947
-39.63553478 1.90399316 3.37704990
0.00028385 -0.00060309 0.00039461
0.00063055 -0.01094175 0.00117516
-9.91915871 -3.48843875 0.86117563
-0.00076570 -0.00016241 0.00014730
-0.00547056 0.00412300 -0.00488283
-8.57069589 -3.45217985 3.44489962
0.00060461 -0.00047505 0.00067596
0.00743789 -0.00166286 -0.00306657
0.28470040 -0.70664808 7.16366547
0.00111528 0.00010239 0.00009130
0.01867459 0.01435837 0.03490349
1.87765271 1.16311445 8.94940893
-0.00012926 0.00024305 -0.00040622
0.00516678 0.00756825 -0.00482550
-32.49470036 0.91652652 2.17625427
-0.00112921 -0.00086434 -0.00090517
-0.00434565 -0.00030022 -0.00035904
-34.11977133 3.39517481 1.74358466
0.00078557 -0.00025493 -0.00080804
0.01049172 -0.01217126 0.00306623
12.76976434 12.95721919 -15.30380920
0.00037742 0.00103443 0.00053489
-0.03473106 -0.02781922 -0.02384666
15.61742516 12.71735343 -14.64151881
0.00063083 -0.00032477 0.00092020
-0.02261576 0.01232849 -0.01227863
-3.94285070 8.79962649 4.41939847
-0.00002120 0.00006263 -0.00075680
-0.00466428 0.00174547 0.01118994
-3.62683754 7.00694887 2.19579624
0.00004484 0.00004775 -0.00100852
-0.01313025 -0.01329260 0.03422011
6.13101023 15.75952565 -9.98551523
-0.00002862 -0.00000414 0.00104749
-0.00166103 0.01042292 0.00618100
7.63880655 16.98835895 -7.79693283
-0.00007440 0.00027853 0.00043734
-0.00596474 -0.00207979 -0.00475411
7.62742884 7.26476763 -22.56492704
-0.00039148 0.00038514 0.00006227
0.01893325 -0.00079025 -0.02831995
7.81028717 8.23391423 -19.84665367
-0.00003608 0.00139625 -0.00070106
0.00487793 0.00156014 -0.00194512
21.62030973 17.71089634 -2.51020818
-0.00018743 -0.00066604 0.00001677
0.01056868 -0.00739403 0.00995149
24.42592894 17.79693695 -3.36236009
-0.00027778 -0.00007227 -0.00053608
0.00753147 0.00965503 -0.01293096
1.12776301 11.11224504 -21.25978020
-0.00032821 -0.00006264 0.00106974
0.00449112 0.02178520 0.01163373
0.62537321 13.80436739 -22.29808268
0.00005994 0.00019125 -0.00002544
0.00676883 0.00680510 0.00756627
9.82651762 -5.28771785 -1.70288041
-0.00017066 -0.00156932 -0.00016938
0.01212068 0.01435310 0.00234572
9.60169204 -2.75269418 -3.15038172
0.00108853 -0.00044172 -0.00130395
0.00505024 -0.00476757 0.01866948
-18.70867465 -4.24324417 5.29306713
0.00045645 -0.00073933 0.00015725
0.00765478 0.01414740 0.00107933
-17.25169094 -3.19373223 3.05653331
-0.00090550 -0.00046387 0.00000919
-0.00791277 0.00828948 0.01250776
-15.40454250 0.38234490 16.70831931
0.00006964 0.00045751 -0.00018094
0.00124898 -0.00230282 0.01450697
-13.73168691 1.03812927 18.96454329
-0.00027729 -0.00007152 0.00020068
-0.01526000 -0.00408668 0.00118814
3.10765140 3.96757363 -4.16495804
0.00006039 0.00027068 0.00085344
0.00198621 -0.00952491 0.00470634
3.27782687 1.10720439 -3.17076877
0.00027420 0.00093318 -0.00049084
0.00500202 0.02318151 -0.00572856
23.20914803 -9.69857105 -10.39186258
0.00093670 0.00009280 -0.00001732
-0.00204756 0.02703213 0.00707845
24.89290044 -7.95783725 -8.67164160
0.00005025 -0.00022147 -0.00029828
0.02498375 0.00436283 0.01597040
2.40821503 -9.10838643 5.75853061
-0.00006245 -0.00049201 0.00034236
0.00331792 -0.00370062 -0.01993802
2.29335388 -8.25420725 8.34861003
-0.00143449 0.00011011 0.00011042
0.00140698 0.01305874 0.01239465
-3.48059424 -2.75578356 -17.86921692
0.00060008 0.00087442 -0.00060002
-0.00506197 -0.02173384 0.00476981
-5.06370860 -0.42394235 -17.05313164
-0.00015642 -0.00046613 0.00002478
-0.00171991 -0.00189739 0.00905790
1.94640602 4.77611022 -11.92202522
0.00036222 0.00013616 0.00087280
0.02089596 -0.00058895 -0.00159541
1.77827451 4.15338650 -9.25598300
-0.00054136 0.00094446 0.00000252
0.01631027 -0.00579592 0.00210416
-0.94049881 16.26920915 13.25682107
-0.00005835 -0.00075823 0.00095281
-0.02179597 -0.00430729 0.01725284
-2.46384782 17.12451917 15.71141142
0.00044456 -0.00021093 0.00038438
0.00554875 0.00278093 0.04041473
-1.88145058 1.17695726 -5.50132404
-0.00057393 0.00000089 0.00069638
-0.00290965 0.00980964 -0.00596287
-2.88441902 0.89317348 -8.15112635
-0.00035536 0.00023774 0.00091129
-0.02053984 -0.02946256 -0.03657709
-8.18799093 -3.08660477 -4.62342819
-0.00015448 0.00045348 0.00106021
-0.04054846 -0.02178693 -0.00317983
-7.32002384 -0.39926506 -3.91773352
0.00006519 -0.00068259 -0.00013644
-0.00394866 -0.00015154 -0.00237806
1.16488081 28.23041450 5.78808553
-0.00003338 -0.00024823 -0.00011235
0.03848615 0.00100700 -0.03723381
-1.23656954 28.26491010 6.67593423
0.00042998 -0.00066111 0.00027528
-0.07337847 -0.00098397 -0.01314295
8.34353394 -9.29498411 -2.05114528
-0.00039799 -0.00059702 0.00050507
0.00354628 0.00258700 -0.00315006
10.16441506 -9.90527636 0.13740761
0.00034511 0.00082559 -0.00044891
0.00842860 0.00589601 -0.00239216
-5.88684915 0.42205936 9.30703376
0.00092277 0.00029712 0.00044887
-0.01444905 -0.00809461 -0.02813155
-8.52632687 -0.17247914 8.10324460
-0.00051267 -0.00001256 -0.00071709
-0.00823105 -0.00722656 0.00507243
19.50457056 11.33917653 8.01164431
-0.00023953 0.00030115 0.00073606
0.01826875 -0.01259569 0.02991446
19.49641738 13.24364781 5.96885565
0.00020359 -0.00004213 0.00132185
0.01260075 0.02290042 -0.01137990
-2.68895371 -2.35594673 -22.51051607
-0.00027417 0.00080228 -0.00092422
0.00771021 0.05339212 0.02296594
-4.90352432 -3.48971117 -24.28993414
0.00047662 0.00072731 0.00033525
0.01764683 0.01574738 0.01110226
-12.46465761 9.15459479 9.62900228
0.00006039 -0.00012499 0.00015639
-0.00160738 -0.00144598 -0.00011445
-12.99326488 8.84089213 6.78650919
0.00059340 0.00060793 0.00077672
-0.00241518 0.00042390 0.00832176
-12.83520630 7.32353891 -4.63404082
-0.00066824 0.00019794 0.00020129
-0.00009267 0.00752722 0.00647701
-11.71799568 9.08040980 -2.47868106
-0.00055530 0.00065793 0.00008715
0.00002049 0.01117560 -0.00299756
-4.99934606 -17.39162432 19.76698146
-0.00066826 0.00008146 -0.00023260
0.02683550 0.02249678 0.02629514
-2.11187242 -16.73754687 19.35933034
-0.00074912 0.00117222 -0.00005032
-0.00388433 0.00455736 0.00987299
-3.50227775 5.36114869 -7.09527938
0.00061717 0.00023104 -0.00051604
0.00188900 0.01272515 -0.00238596
-3.95868227 8.43245066 -6.61731611
-0.00073766 -0.00130937 -0.00020996
0.00307460 -0.01943573 -0.01419419
-21.13916851 28.05604714 0.58895975
-0.00008804 -0.00062008 0.00102899
-0.00441266 0.00718176 0.00496480
-18.80469109 29.60095883 1.20898415
0.00109789 0.00065341 -0.00133628
-0.01308976 0.00645820 0.00245536
8.44741515 2.70042191 6.47472219
-0.00053679 0.00046282 0.00076277
-0.03012157 -0.02180797 -0.03397617
9.25986960 4.75269466 8.09012794
0.00084265 -0.00134148 0.00014981
0.01280611 -0.00504491 0.00153529
7.29464674 15.71922364 -14.28991896
0.00070717 0.00147595 0.00100088
-0.01700240 -0.03134922 0.03272001
6.96372347 12.84795663 -13.13838783
0.00108960 0.00190474 -0.00001149
-0.00119961 0.01836746 -0.00457829
13.16376722 5.07362136 -3.27319332
-0.00067963 -0.00045733 0.00086240
-0.02377655 0.03113380 -0.01200098
13.15432169 3.01899214 -1.34907243
-0.00124979 -0.00111010 0.00021696
0.00354029 0.00281840 0.01395696
-5.05237215 9.63861515 -0.36164116
0.00130784 -0.00024723 -0.00120401
0.01095422 -0.01089560 -0.00306246
-7.81530719 10.12845060 -0.41498519
0.00056354 -0.00057198 -0.00035838
-0.02172790 -0.00638058 0.00751320
4.65805107 13.11534167 2.14662785
0.00006561 0.00054382 -0.00061386
0.01253016 -0.00516180 -0.00039506
7.62604272 12.24544627 2.64602501
-0.00085245 0.00114149 0.00066971
-0.01386090 0.00315145 0.00134554
21.16260461 -12.95361576 -10.31811414
0.00055715 -0.00063558 0.00029321
-0.01988852 -0.01478586 0.02059825
22.49691312 -13.52225729 -12.76811240
0.00095198 0.00085520 0.00027112
0.00958965 -0.01717594 -0.02016535
17.85194791 -5.96165474 1.88558022
-0.00134223 0.00015041 -0.00011691
-0.01508685 0.00791445 0.01838650
16.39513644 -8.06350854 2.95451351
0.00005319 -0.00046838 -0.00070328
-0.00819290 0.00631926 0.01190495
14.33801579 8.18623601 10.80014312
-0.00010956 0.00054649 -0.00012959
-0.00235232 0.00125913 -0.00506784
16.69839314 6.54675650 10.84217278
0.00016796 -0.00003152 -0.00045873
-0.00699079 0.00433819 -0.00391097
1.64164360 -13.40111562 15.09788341
-0.00140141 -0.00020473 0.00098711
0.01386157 0.01214902 0.02130528
3.56728737 -12.35551700 17.40411855
-0.00052817 -0.00029293 -0.00034874
-0.01260186 0.00476539 -0.01612550
-3.46946839 -2.74064486 -9.89344089
0.00004918 0.00041744 0.00031384
-0.00327639 0.01502916 -0.00886623
-1.98757653 -0.97471420 -11.69309667
0.00039196 -0.00122106 -0.00051459
0.02514008 0.00592347 -0.01394312
15.15703603 -7.77868220 -11.42399955
-0.00009380 -0.00079416 0.00106487
-0.01176631 -0.00408164 0.03172387
16.97810863 -7.03762410 -9.27064005
-0.00002569 -0.00033069 -0.00024781
0.00879562 0.00521189 0.01501736
7.51007866 -3.05538154 5.60039373
-0.00045568 -0.00044943 -0.00007705
0.01399927 -0.00738046 0.00583795
10.31124335 -3.92105429 5.05834562
0.00086261 -0.00117917 0.00047593
0.01858816 0.00048612 -0.03039729
-21.05174969 0.99148355 22.78495201
0.00056092 -0.00028158 0.00072103
-0.01012805 0.00648484 0.01652053
-23.17597635 0.69229448 24.99213209
-0.00053075 0.00021321 -0.00074851
0.02074599 0.00977137 -0.00884532
25.70697758 -2.49971818 -7.95096185
0.00050635 0.00033697 0.00024983
0.01323695 -0.01569481 -0.00311231
23.66453060 -0.68825199 -7.31359393
0.00004233 -0.00033820 -0.00030971
-0.00327157 0.00358405 0.00376876
11.16967382 -12.90915742 -8.72649401
-0.00065307 0.00085270 -0.00020884
-0.01076360 -0.00249254 0.01945316
12.79490323 -10.48130128 -9.48755323
0.00069835 -0.00055017 -0.00005943
0.01937237 0.02380349 0.01437932
-5.67047155 -10.38003670 18.19016885
-0.00020061 -0.00009376 0.00026472
0.01944410 -0.00358510 -0.00321350
-6.06342519 -9.97227230 15.48055208
0.00107413 -0.00014014 -0.00021140
-0.02038494 0.01306768 -0.03768926
9.20563447 1.24703172 -31.76271527
0.00023496 -0.00038292 -0.00014359
0.00097327 -0.01581423 -0.00453914
6.66548804 2.72593892 -31.86024993
0.00077269 0.00018959 -0.00123961
0.01363157 -0.00302093 0.00829221
11.40326046 17.89469477 13.09171149
-0.00009502 -0.00117134 -0.00005071
-0.00135311 -0.00438296 0.00917187
11.91595282 15.38342295 14.54754379
0.00011307 -0.00014031 -0.00056608
-0.00919248 0.02714295 -0.00202639
30.96611960 5.42753222 -7.85762791
0.00060757 0.00002837 0.00007260
-0.00444929 0.01206907 -0.00282368
28.79949092 7.37922255 -7.47995400
0.00144191 -0.00032671 -0.00040550
0.00997989 0.00565176 -0.00074577
-8.40201727 4.83031579 5.65276087
0.00008283 -0.00005986 0.00003696
0.00784039 0.00438195 0.00109608
-10.73197714 10.13775662 3.36933828
0.00001718 -0.00003790 -0.00008683
-0.00705745 -0.00557619 0.00597266
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08316879
0.33552270
447.06718054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3964757447 (a.u.)
total exchange computation time: 2.7104661465 s
-154.2321899570
-931.41783294
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3956831198 (a.u.)
total exchange computation time: 2.7106928825 s
-154.2388236282
Anderson extrapolation: theta=1.4138423229 (1.4138423229)
-931.41809619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3944244804 (a.u.)
total exchange computation time: 2.7098820210 s
-154.2488190339
Anderson extrapolation: theta=0.0822029036 (0.0822029036)
-931.41827128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3942169950 (a.u.)
total exchange computation time: 2.7090780735 s
-154.2501465701
Anderson extrapolation: theta=2.5549751377 (2.0000000000)
-931.41828458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3937716758 (a.u.)
total exchange computation time: 2.7097239494 s
-154.2528487340
Anderson extrapolation: theta=0.5314210866 (0.5314210866)
-931.41830374
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3935459017 (a.u.)
total exchange computation time: 2.7091071606 s
-154.2540846408
Anderson extrapolation: theta=0.6845415460 (0.6845415460)
-931.41831005
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3934238007 (a.u.)
total exchange computation time: 2.7093198299 s
-154.2546159425
Anderson extrapolation: theta=0.6529848440 (0.6529848440)
-931.41831318
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3933798264 (a.u.)
total exchange computation time: 2.7093639374 s
-154.2546581566
Anderson extrapolation: theta=0.5455054874 (0.5455054874)
-931.41831457
-211.736515 76.251258 -35.983638
566.656976 1066.321067 -418.561834
354.920462 1142.572325 -454.545472
1279.863914
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0581395349
ExchangeOperator: pair fraction: ispin=0: 0.1421525149
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3933840888 (a.u.)
total exchange computation time: 2.7111339569 s
679.10078411
-1084.54138597
89.82745571
-388.54626855
-174.86551635
78.71894272
551.60419304
0.00000000
-931.41831514
5.42542399 -31.31841393 -3.76195749
-0.00037584 -0.00019357 -0.00000030
0.00504912 0.01671366 -0.02921767
-11.87246138 -0.96165411 -11.82687979
0.00000052 0.00010816 0.00006173
0.00897098 0.01320784 0.00756199
-37.86872555 2.37844970 3.23465559
0.00002806 0.00023558 -0.00028224
-0.00716330 -0.03113634 0.01998025
-9.94685687 -2.68794550 2.50585773
-0.00052013 0.00029023 0.00009724
0.02139688 -0.00013043 0.02519461
0.86899968 -0.33045042 8.94634067
0.00017649 -0.00032292 -0.00005265
-0.01967371 -0.02178716 -0.03020196
-32.39654694 2.72995226 1.80333824
-0.00001287 0.00006636 0.00001125
-0.00136612 -0.00437510 -0.00146509
14.07320158 13.81619392 -14.53090925
0.00016900 0.00021413 -0.00034726
0.07077297 0.01777347 0.03774739
-4.28357235 7.03476160 4.00017056
-0.00051125 -0.00014816 -0.00002524
0.02105496 0.00363210 -0.04532413
5.88576868 16.68298401 -8.34932015
0.00028461 -0.00016484 0.00019464
0.00588659 -0.00811436 0.00607371
6.74074653 7.29830296 -21.00803838
-0.00024607 0.00010311 0.00011964
-0.02150193 -0.00426145 0.03023495
23.33928887 17.10205771 -2.10447664
-0.00015562 -0.00007614 0.00028317
-0.00480996 -0.00471920 -0.00218822
1.42792832 12.95301342 -20.87252817
0.00006142 -0.00001123 0.00016341
-0.01156606 -0.03213270 -0.02155293
10.44888140 -3.51093615 -1.66983040
0.00008828 0.00026419 -0.00009863
-0.02610861 -0.03067763 -0.03534523
-17.79462680 -2.68753738 4.76551282
0.00021318 -0.00001493 0.00008692
-0.00516064 -0.03185904 -0.01531636
-15.26262543 0.09125244 18.54180495
0.00019201 -0.00013517 -0.00017367
0.02017141 0.00308233 -0.01985673
2.58635951 2.80724339 -2.84224575
-0.00051600 0.00012066 0.00020592
-0.01216859 -0.00615074 0.00201222
23.46472268 -7.92170810 -9.71885669
0.00010179 -0.00021495 -0.00024192
-0.01953248 -0.02357520 -0.02402793
1.55783274 -7.86612967 6.74400959
0.00035764 0.00013780 0.00019752
-0.00763917 0.00454452 -0.00419350
-3.58112598 -0.97577442 -17.99301873
0.00043298 0.00028940 0.00028826
0.01204896 0.02612651 -0.01182282
3.10158845 4.24928799 -10.54395077
-0.00042760 -0.00005148 0.00022076
-0.03305497 0.00281064 0.00292150
-2.63764978 16.84439660 13.99553262
-0.00003786 0.00010212 -0.00002698
0.01621421 -0.00076278 -0.05289930
-2.27443905 2.11853838 -7.03346474
0.00003069 0.00007397 -0.00001845
0.02609025 0.02205942 0.04889111
-6.79153116 -2.03866980 -4.52336106
-0.00020068 0.00000113 -0.00015636
0.04583479 0.01870592 0.00386874
0.35673755 28.31368333 7.34516688
-0.00008553 0.00014500 0.00002192
0.03946996 -0.00334684 0.04291621
10.12676651 -9.14480593 -1.55146960
0.00024108 -0.00007447 -0.00016680
-0.01184755 -0.00497666 -0.00477242
-6.92146065 0.54273160 7.68853036
-0.00026988 0.00035058 0.00026577
0.02221736 0.01318275 0.02197556
18.83260432 11.64953695 6.40534034
0.00024007 -0.00015343 0.00008561
-0.02956376 -0.01347175 -0.01396298
-3.35896798 -3.76923966 -23.23683878
-0.00020158 0.00018208 0.00004219
-0.03002899 -0.06017190 -0.03249958
-13.64240305 8.34666645 8.46401560
-0.00002723 0.00004781 0.00024723
0.00583360 0.00131877 -0.00959764
-12.23804319 7.37706829 -2.85242655
-0.00029132 -0.00033215 -0.00045629
0.00499598 -0.00665458 0.00548989
-3.48597580 -16.40843517 20.54299750
-0.00029568 -0.00029367 0.00009138
-0.02733686 -0.02084634 -0.02522827
-3.53333699 7.06211041 -7.85544644
-0.00050424 0.00042371 0.00019271
0.00160928 0.00858150 0.00333077
-20.68539031 29.69166267 1.32038599
-0.00006938 0.00026938 -0.00002052
0.02528798 -0.01420187 -0.00517444
9.87753121 3.10401018 7.42343284
0.00001207 0.00005017 -0.00012464
0.01843745 0.03295815 0.02811325
6.39101494 14.60251422 -12.93473094
0.00007776 -0.00001204 0.00040661
0.02451873 0.02173082 -0.02837611
14.14162188 3.70444493 -2.73605910
0.00016733 -0.00023016 0.00004851
0.01696410 -0.03634300 0.00166398
-6.24991164 10.98089652 -0.34098060
0.00004683 -0.00013968 0.00014626
0.02275231 0.01583257 -0.00947975
6.22607534 13.33054800 3.13356547
0.00034446 0.00025439 0.00002142
-0.01323178 0.01325608 0.00614672
21.85471403 -12.17533238 -11.76810322
-0.00012145 0.00011702 -0.00022525
-0.00083331 0.02967071 0.01196171
16.78646129 -6.30842761 3.40866005
0.00034559 0.00016724 -0.00003831
0.01774179 -0.01662672 -0.03479429
15.35304171 7.09589895 9.70395814
0.00018388 -0.00034178 -0.00036312
0.00192951 -0.00279294 0.00794961
3.00641977 -13.72166690 16.29522222
0.00000259 0.00016529 -0.00036216
0.00111832 -0.02145931 -0.00842679
-3.57746825 -1.11258926 -10.86780489
-0.00011725 -0.00035949 -0.00006311
-0.01841578 -0.01179775 0.02353731
15.34989581 -7.83470847 -9.50363596
-0.00004328 0.00022314 -0.00018306
-0.01380905 -0.00457075 -0.03917605
9.14779923 -3.65709423 6.36004469
0.00046813 -0.00045447 -0.00000008
-0.05157194 0.00445740 0.03149909
-21.58748682 1.58478922 24.45650002
-0.00021622 -0.00004701 -0.00015251
-0.01052571 -0.00994640 -0.00098435
24.90584845 -1.74817759 -6.51095175
-0.00004265 -0.00001327 -0.00014035
-0.01059507 0.00898569 -0.00051268
11.84714421 -11.87124190 -10.02517827
0.00029226 -0.00015993 -0.00010773
-0.00922723 -0.02152482 -0.03607465
-4.73555051 -10.38787158 16.56179411
0.00013090 -0.00030205 -0.00005424
0.00920259 -0.01732377 0.05369002
8.21941757 2.47241185 -30.85998116
0.00003576 0.00035073 -0.00046528
-0.02300729 0.00921585 0.00223592
10.95846317 16.99347810 14.64591115
0.00017820 -0.00025903 -0.00025333
0.01247614 -0.01422188 -0.00324076
30.64778388 7.26136536 -7.48880756
-0.00024948 -0.00008945 0.00035631
0.00476248 -0.01729080 -0.00180820
5.66092971 -30.08066479 -5.20700060
-0.00075270 -0.00003265 0.00031710
-0.00537270 -0.01975030 0.02049536
4.00249568 -30.68558215 -2.82929513
0.00071167 0.00084189 0.00019022
-0.00506411 0.00635884 0.00573837
-12.63713989 -1.81611451 -13.30651435
-0.00032689 -0.00046826 0.00031076
0.00614954 -0.00192549 0.00085681
-11.68637587 0.82396688 -12.35339507
-0.00015617 0.00076818 -0.00002525
-0.00344255 -0.01723995 -0.01138479
-38.02943400 4.01749811 2.59996392
0.00083780 0.00050056 0.00089388
0.00188270 0.04128639 -0.01772573
-39.63125766 1.89461151 3.38300513
0.00028752 -0.00064471 0.00039795
0.00116428 -0.00943342 0.00045907
-9.93081187 -3.49074852 0.86323555
-0.00078745 -0.00014473 0.00012913
-0.00517698 0.00453219 -0.00401076
-8.56139889 -3.45935653 3.45494509
0.00061868 -0.00047275 0.00065172
-0.00055004 0.00278569 -0.00880224
0.30200184 -0.70467229 7.16610455
0.00118807 0.00015821 0.00022786
0.01695679 0.01296720 0.03194133
1.87587211 1.16699207 8.94316781
-0.00011114 0.00026980 -0.00042415
0.00370371 0.00552689 -0.00395469
-32.51177166 0.90355224 2.16266575
-0.00114440 -0.00085559 -0.00090774
-0.00308821 0.00458459 -0.00090120
-34.10766623 3.39097788 1.73155806
0.00081627 -0.00029857 -0.00079570
0.00453662 -0.00918792 0.00297444
12.77436130 12.97188320 -15.29651653
0.00022238 0.00091081 0.00042930
-0.04116134 -0.03269567 -0.02783994
15.62619463 12.71285962 -14.62809212
0.00053188 -0.00027110 0.00086836
-0.02582342 0.01394309 -0.01309571
-3.94331156 8.80061939 4.40838943
-0.00004100 0.00006759 -0.00071036
-0.00502976 0.00068220 0.01154145
-3.62656724 7.00725782 2.18171705
-0.00001313 -0.00000741 -0.00085845
-0.01524816 -0.01370802 0.03924134
6.13053001 15.75978299 -9.96961349
-0.00003350 0.00003357 0.00106403
-0.00072497 0.00803385 0.00191431
7.63750782 16.99247321 -7.79051847
-0.00009646 0.00026977 0.00041800
-0.00483555 -0.00220767 -0.00470992
7.62213683 7.27052051 -22.56486079
-0.00031516 0.00038101 -0.00005356
0.01842576 -0.00123141 -0.02838017
7.80989544 8.25490586 -19.85722922
-0.00001852 0.00140056 -0.00070975
0.00371661 0.00054555 -0.00230807
21.61782211 17.70067911 -2.50965171
-0.00014579 -0.00069536 0.00005743
0.00981685 -0.00695723 0.00995468
24.42199310 17.79614875 -3.37079749
-0.00025235 -0.00003615 -0.00058259
0.00491309 0.00802565 -0.00983901
1.12297743 11.11197295 -21.24337767
-0.00031013 0.00002553 0.00111562
0.00435990 0.02137480 0.01082641
0.62647974 13.80744471 -22.29823241
0.00008896 0.00021643 0.00000794
0.00743747 0.00551699 0.00877263
9.82432909 -5.31081780 -1.70534923
-0.00011415 -0.00149031 -0.00015970
0.01554418 0.02432100 0.00239413
9.61817476 -2.75946604 -3.16936887
0.00110969 -0.00046246 -0.00122532
0.00530899 -0.00538685 0.01982218
-18.70159326 -4.25390062 5.29545892
0.00048969 -0.00067642 0.00016163
0.00861628 0.01664966 0.00106672
-17.26551595 -3.20043622 3.05705443
-0.00093581 -0.00042925 0.00005760
-0.00692502 0.00865733 0.01118881
-15.40345959 0.38913698 16.70604973
0.00007501 0.00044788 -0.00012055
0.00137682 -0.00241006 0.01505655
-13.73631385 1.03693128 18.96758997
-0.00033602 -0.00008625 0.00020634
-0.01348837 -0.00312447 0.00157885
3.10861818 3.97134202 -4.15201221
0.00006888 0.00023533 0.00087043
0.00216829 -0.00777949 0.00361048
3.28209309 1.12191249 -3.17830693
0.00029557 0.00102217 -0.00051336
0.00546072 0.02037687 -0.00529474
23.22313576 -9.69635068 -10.39190552
0.00092610 0.00019827 0.00000959
-0.00314232 0.02459537 0.00609553
24.89441974 -7.96102560 -8.67562645
0.00015270 -0.00020293 -0.00023265
0.02516720 0.00471386 0.01615761
2.40737995 -9.11588002 5.76305499
-0.00005004 -0.00050483 0.00026376
0.00275923 -0.00257514 -0.01853769
2.27187970 -8.25215537 8.35064608
-0.00142316 0.00016020 0.00017189
0.00413960 0.01145901 0.01769946
-3.47174809 -2.74333327 -17.87807108
0.00058064 0.00077444 -0.00058032
-0.00445524 -0.02720594 0.00487421
-5.06610753 -0.43099242 -17.05248240
-0.00016200 -0.00047345 0.00006102
-0.00101343 -0.00168553 0.00868429
1.95247971 4.77813455 -11.90898212
0.00044067 0.00013699 0.00085634
0.01750176 0.00099429 -0.00646077
1.77065384 4.16737574 -9.25588071
-0.00047535 0.00091982 0.00001338
0.01600454 -0.00626512 0.00321299
-0.94204201 16.25770371 13.27164192
-0.00014672 -0.00077527 0.00102020
-0.02145907 -0.00403269 0.01573488
-2.45700938 17.12144044 15.71841554
0.00046500 -0.00020108 0.00054032
0.00445735 0.00203966 0.03591787
-1.89014871 1.17727116 -5.49106113
-0.00058677 0.00004514 0.00066611
-0.00337302 0.01185133 -0.00885249
-2.89037877 0.89583679 -8.13857784
-0.00044249 0.00011158 0.00075611
-0.02211105 -0.03229720 -0.03938550
-8.19155066 -3.08047015 -4.60762251
-0.00032423 0.00035982 0.00104741
-0.04254705 -0.02405929 -0.00308252
-7.31916703 -0.40950848 -3.91985302
0.00004686 -0.00067269 -0.00014258
-0.00502315 0.00499722 -0.00062743
1.16555937 28.22672195 5.78525927
0.00012127 -0.00024377 -0.00025987
0.03721971 0.00117413 -0.03497557
-1.23236836 28.25496326 6.67966063
0.00012192 -0.00066572 0.00021857
-0.07741898 -0.00127189 -0.01461423
8.33767273 -9.30386009 -2.04366576
-0.00037747 -0.00058525 0.00049242
0.00649874 0.00317509 -0.00304389
10.16984995 -9.89271187 0.13060063
0.00038063 0.00084581 -0.00044957
0.00895802 0.00400161 0.00206815
-5.87345039 0.42626814 9.31290472
0.00085673 0.00026303 0.00032864
-0.01787683 -0.00859152 -0.03071790
-8.53426921 -0.17288899 8.09264375
-0.00054257 -0.00004116 -0.00069457
-0.00640285 -0.00677227 0.00594787
19.50153747 11.34330777 8.02360194
-0.00016818 0.00024900 0.00085201
0.01665697 -0.01292961 0.02684221
19.49985737 13.24371767 5.98833473
0.00025576 0.00005476 0.00127313
0.01293647 0.02452774 -0.01247205
-2.69283004 -2.34227640 -22.52367569
-0.00024271 0.00101679 -0.00083224
0.00769146 0.05161326 0.02206094
-4.89583426 -3.47831891 -24.28456516
0.00054205 0.00079047 0.00037573
0.01438280 0.01516846 0.00871344
-12.46380109 9.15267568 9.63134462
0.00005360 -0.00013080 0.00015742
-0.00171287 -0.00139869 0.00061896
-12.98443787 8.85002402 6.79841503
0.00058288 0.00060902 0.00080798
-0.00273480 0.00011349 0.00697761
-12.84523277 7.32673874 -4.63082294
-0.00067008 0.00022811 0.00022203
-0.00080471 0.00723897 0.00367253
-11.72632455 9.09062114 -2.47746568
-0.00055925 0.00068886 0.00007182
-0.00195209 0.00396784 -0.00450466
-5.00854762 -17.38971303 19.76429818
-0.00055766 0.00017317 -0.00012457
0.02730214 0.02239375 0.02658788
-2.12322824 -16.71982397 19.35887813
-0.00075926 0.00118895 -0.00001497
-0.00108125 0.00363362 0.00742925
-3.49296229 5.36500429 -7.10309303
0.00062415 0.00028111 -0.00052502
0.00152926 0.01178187 -0.00201131
-3.96965296 8.41221451 -6.62090048
-0.00072842 -0.00137584 -0.00025681
0.00144912 -0.01309948 -0.00873962
-21.14062427 28.04696605 0.60454675
-0.00010435 -0.00058609 0.00105105
-0.00357447 0.00945440 0.00583296
-18.78862379 29.61095792 1.18901526
0.00103068 0.00067956 -0.00132446
-0.01980981 0.00634041 0.00333086
8.43844035 2.70669600 6.48512264
-0.00066036 0.00037281 0.00062314
-0.03037032 -0.02225583 -0.03437398
9.27290177 4.73241785 8.09242220
0.00089001 -0.00134618 0.00016251
0.01037767 0.00274650 0.00467979
7.30473331 15.74040222 -14.27390304
0.00063496 0.00134438 0.00113723
-0.01834620 -0.03305464 0.03401951
6.98003071 12.87709052 -13.13870052
0.00109070 0.00195880 -0.00003197
0.00173688 0.00809873 -0.00544321
13.15284413 5.06771549 -3.26062512
-0.00077530 -0.00033088 0.00081311
-0.02305101 0.03076176 -0.01212291
13.13568336 3.00242702 -1.34539041
-0.00122453 -0.00109295 0.00026233
0.00882456 0.00557659 0.00825460
-5.03241892 9.63457288 -0.37979514
0.00134107 -0.00028018 -0.00121636
0.00531348 -0.00523785 -0.00298231
-7.80751983 10.11967546 -0.42013064
0.00047217 -0.00060069 -0.00032778
-0.02300253 -0.00767740 0.00746583
4.65941925 13.12334079 2.13740782
0.00012203 0.00052337 -0.00061099
0.01508662 -0.00484693 0.00180151
7.61283130 12.26266517 2.65611197
-0.00088940 0.00113941 0.00066818
-0.00422861 -0.00416939 -0.00209816
21.17035246 -12.96360251 -10.31308480
0.00047980 -0.00069147 0.00036931
-0.01797737 -0.01257288 0.01665347
22.51148666 -13.50995565 -12.76466347
0.00099316 0.00078023 0.00018489
0.01056951 -0.01952105 -0.02204449
17.83135208 -5.95915605 1.88438993
-0.00139612 0.00018585 -0.00005011
-0.01129171 0.00943183 0.01431679
16.39568329 -8.07034056 2.94432905
0.00002193 -0.00043234 -0.00065080
-0.00710896 0.01132044 0.01378734
14.33630037 8.19447188 10.79804405
-0.00011284 0.00054422 -0.00015673
0.00074409 -0.00236920 -0.00821787
16.70069830 6.54641665 10.83517197
0.00014087 -0.00001452 -0.00047320
-0.00626858 0.00398415 -0.00317009
1.62104716 -13.40381425 15.11334294
-0.00134379 -0.00015551 0.00107457
0.01434307 0.01194236 0.02150712
3.55897863 -12.35976492 17.39839327
-0.00057779 -0.00026811 -0.00040930
-0.01168784 0.00738625 -0.01351570
-3.46883101 -2.73392276 -9.88900493
0.00003505 0.00047391 0.00027997
-0.00364498 0.01261371 -0.00771552
-1.98092673 -0.99284853 -11.70124273
0.00048497 -0.00119672 -0.00056666
0.02038570 0.00599165 -0.01154673
15.15526853 -7.79071961 -11.40705440
-0.00014238 -0.00080885 0.00118099
-0.01201573 -0.00311381 0.02511727
16.97799279 -7.04242481 -9.27389702
0.00001297 -0.00030760 -0.00018632
0.01012891 0.00609187 0.01508100
7.50367244 -3.06234912 5.59941689
-0.00039031 -0.00048221 -0.00005149
0.01799905 -0.00866577 0.00667237
10.32475202 -3.93872698 5.06455306
0.00093605 -0.00117664 0.00035249
0.01736258 0.00075423 -0.03002699
-21.04364629 0.98745862 22.79627372
0.00052155 -0.00025735 0.00078138
-0.00914180 0.00537537 0.01302085
-23.18330187 0.69579207 24.98063338
-0.00044635 0.00025273 -0.00078361
0.02056963 0.00957479 -0.00833535
25.71497847 -2.49514452 -7.94730981
0.00056151 0.00027178 0.00023477
0.01376447 -0.01621717 -0.00425724
23.66506526 -0.69321522 -7.31812411
0.00002710 -0.00032202 -0.00029551
-0.00418088 0.00433732 0.00318528
11.15954792 -12.89644327 -8.72903046
-0.00069884 0.00083942 -0.00012604
-0.01164019 -0.00400720 0.02107461
12.80597215 -10.48882436 -9.48800407
0.00077741 -0.00045259 -0.00000054
0.01932581 0.02395840 0.01445055
-5.67288481 -10.38155290 18.19404114
-0.00011923 -0.00010808 0.00024600
0.02039076 -0.00342462 -0.00594715
-6.04793797 -9.97397398 15.47622622
0.00098331 -0.00008430 -0.00037055
-0.02406823 0.01426856 -0.04021633
9.20918865 1.24080338 -31.76500818
0.00023565 -0.00044329 -0.00015822
-0.00063298 -0.01373717 -0.00262253
6.67749610 2.72869014 -31.87858994
0.00082515 0.00017820 -0.00120631
0.01204711 -0.00255041 0.00800768
11.40179368 17.87699029 13.09123194
-0.00009853 -0.00118297 -0.00002145
-0.00036660 -0.00130611 0.00514973
11.91736714 15.38214999 14.53899046
0.00007625 -0.00003190 -0.00057300
-0.00883036 0.02592788 -0.00135896
30.97509677 5.42832759 -7.85662542
0.00058841 0.00007852 0.00006135
-0.00492625 0.01248054 -0.00268137
28.82142539 7.37449508 -7.48605930
0.00145725 -0.00030220 -0.00040868
-0.00247069 0.00634476 -0.00081298
-8.40075373 4.82942963 5.65331822
0.00008565 -0.00005829 0.00003733
0.00791317 0.00437200 0.00098602
-10.73173177 10.13717839 3.36804625
0.00001552 -0.00003919 -0.00008546
-0.00718420 -0.00556795 0.00585815
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08319458
0.33512056
446.53134528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.4001043179 (a.u.)
total exchange computation time: 2.7761800289 s
-154.2521515618
-931.41765388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3992874714 (a.u.)
total exchange computation time: 2.7782750130 s
-154.2592959330
Anderson extrapolation: theta=1.3439125284 (1.3439125284)
-931.41790300
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3980722439 (a.u.)
total exchange computation time: 2.7792739868 s
-154.2695869370
Anderson extrapolation: theta=0.0532121688 (0.0532121688)
-931.41805076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3979141391 (a.u.)
total exchange computation time: 2.7785408497 s
-154.2707464676
Anderson extrapolation: theta=1.9800076746 (1.9800076746)
-931.41805656
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3975705967 (a.u.)
total exchange computation time: 2.7771549225 s
-154.2731991188
Anderson extrapolation: theta=0.2358205260 (0.2358205260)
-931.41806293
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3974793144 (a.u.)
total exchange computation time: 2.7812311649 s
-154.2737895426
Anderson extrapolation: theta=1.8656810060 (1.8656810060)
-931.41806423
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3973299719 (a.u.)
total exchange computation time: 2.7777128220 s
-154.2746824141
Anderson extrapolation: theta=0.2926979035 (0.2926979035)
-931.41806582
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.3973087760 (a.u.)
total exchange computation time: 2.7773268223 s
-154.2747353097
Anderson extrapolation: theta=1.3160561667 (1.3160561667)
-931.41806621
-211.705403 76.205922 -35.931849
566.687195 1066.332174 -418.530064
354.981792 1142.538095 -454.461913
1279.820691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0584302326
ExchangeOperator: pair fraction: ispin=0: 0.1431909140
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3972986697 (a.u.)
total exchange computation time: 2.7788438797 s
679.14925235
-1084.66842944
89.83358040
-388.45996863
-174.87520252
78.79124096
551.60419304
0.00000000
-931.41806651
5.41980589 -31.32125308 -3.76207466
-0.00037281 -0.00018522 -0.00001542
0.00671141 0.01578789 -0.02957636
-11.87241894 -0.95998081 -11.82592460
0.00000505 0.00011565 0.00006526
0.00864767 0.01592330 0.00615916
-37.86833228 2.38186327 3.23049898
0.00002457 0.00021898 -0.00027175
-0.00639901 -0.03342585 0.02084199
-9.95457625 -2.68359250 2.50741352
-0.00050728 0.00028902 0.00011115
0.02855501 -0.00458837 0.02887587
0.87157122 -0.33537824 8.94543447
0.00016729 -0.00033312 -0.00006737
-0.01610398 -0.01786346 -0.02705765
-32.39674531 2.73093075 1.80350134
-0.00001229 0.00006205 0.00001065
0.00363684 -0.01239052 -0.00085150
14.07600950 13.81947444 -14.53597252
0.00020708 0.00022380 -0.00032699
0.07731176 0.01984348 0.04104991
-4.29115989 7.03255327 3.99961715
-0.00049994 -0.00014595 -0.00004958
0.02294852 0.00494394 -0.04932776
5.89006055 16.68048007 -8.34637708
0.00028702 -0.00016831 0.00019894
0.00346621 -0.00536767 0.01064392
6.73697251 7.29983312 -21.00612718
-0.00025646 0.00010131 0.00013497
-0.01890948 -0.00273472 0.02939399
23.33693600 17.10089745 -2.10023750
-0.00015707 -0.00007821 0.00028119
-0.00082844 -0.00335359 -0.00550480
1.42880505 12.95272101 -20.87016019
0.00005550 -0.00002715 0.00015232
-0.01148431 -0.02977486 -0.02157889
10.45010492 -3.50709160 -1.67144626
0.00007418 0.00024631 -0.00011699
-0.02873060 -0.03886337 -0.03601610
-17.79144908 -2.68788429 4.76675750
0.00021014 -0.00003191 0.00007952
-0.00662376 -0.03417321 -0.01346124
-15.25966749 0.08923685 18.53912334
0.00020172 -0.00013381 -0.00018406
0.01758489 0.00218042 -0.02056121
2.57857255 2.80902959 -2.83914922
-0.00052238 0.00011777 0.00020714
-0.01264742 -0.00509846 0.00272190
23.46617416 -7.92502326 -9.72257812
0.00009223 -0.00022636 -0.00025368
-0.01764325 -0.02078604 -0.02171646
1.56316785 -7.86404509 6.74695626
0.00035330 0.00014019 0.00019364
-0.00923510 0.00473109 -0.01091570
-3.57458485 -0.97133267 -17.98874036
0.00043873 0.00030395 0.00028235
0.01031718 0.03044920 -0.01117694
3.09504698 4.24852667 -10.54062812
-0.00044343 -0.00005039 0.00022325
-0.02850106 0.00141104 0.00675050
-2.63815508 16.84592546 13.99492384
-0.00002939 0.00010189 -0.00005214
0.01669639 -0.00014266 -0.04491932
-2.27387799 2.11973309 -7.03355291
0.00004441 0.00008525 0.00000758
0.02723523 0.02179156 0.05234779
-6.79436451 -2.03858063 -4.52569161
-0.00017682 0.00000968 -0.00015490
0.04694708 0.01453707 0.00182513
0.35560684 28.31584540 7.34566123
-0.00006447 0.00014326 0.00004302
0.04244485 -0.00340750 0.03913066
10.13033702 -9.14594220 -1.55398995
0.00023405 -0.00007664 -0.00017045
-0.01549273 -0.00344839 -0.00943966
-6.92542313 0.54804122 7.69260174
-0.00025824 0.00035722 0.00027732
0.02303213 0.01262641 0.02291091
18.83609133 11.64718354 6.40657056
0.00022544 -0.00016044 0.00007968
-0.02731795 -0.01378837 -0.00909122
-3.36210745 -3.76674052 -23.23633126
-0.00021574 0.00015233 0.00002670
-0.02504924 -0.05551840 -0.02772970
-13.64278894 8.34738870 8.46768706
-0.00002418 0.00004852 0.00024244
0.00600483 0.00145715 -0.00904836
-12.24239375 7.37206042 -2.85924968
-0.00028799 -0.00033368 -0.00045214
0.00797126 0.00070336 0.01062262
-3.49051649 -16.41292070 20.54427096
-0.00031044 -0.00030399 0.00007915
-0.03004054 -0.01925150 -0.02233119
-3.54089441 7.06849917 -7.85254291
-0.00050272 0.00042642 0.00019270
0.00431491 0.00197402 -0.00337495
-20.68633346 29.69564864 1.32005816
-0.00005508 0.00026159 -0.00002356
0.03032615 -0.01612240 -0.00661149
9.87778331 3.10488982 7.42167172
0.00002186 0.00006485 -0.00011131
0.01965002 0.02415332 0.02371980
6.39227588 14.60241747 -12.92874132
0.00008976 0.00000228 0.00039205
0.02215994 0.03395579 -0.02821958
14.14419726 3.70085237 -2.73532510
0.00017433 -0.00024896 0.00005059
0.01025998 -0.03675742 0.00645678
-6.24912149 10.97886242 -0.33882327
0.00006009 -0.00013279 0.00014132
0.02883131 0.01096922 -0.00972530
6.23119118 13.33441498 3.13391047
0.00033433 0.00026317 0.00002495
-0.02616466 0.02089257 0.00758527
21.85288899 -12.17346262 -11.77143588
-0.00012264 0.00013197 -0.00021764
-0.00375681 0.02844933 0.01764386
16.79171352 -6.30598309 3.40795111
0.00035337 0.00015716 -0.00005536
0.01252536 -0.02258337 -0.03147226
15.35580729 7.09076143 9.69854201
0.00018386 -0.00034227 -0.00035852
-0.00197949 0.00089061 0.00991970
3.00646290 -13.71927040 16.28975732
0.00000283 0.00015365 -0.00036715
-0.00018648 -0.02378877 -0.01099735
-3.57929803 -1.11802706 -10.86866073
-0.00012526 -0.00036474 -0.00005216
-0.01273193 -0.00864681 0.01902502
15.34919336 -7.83137894 -9.50653298
-0.00005043 0.00022045 -0.00020117
-0.01401388 -0.00590431 -0.03125936
9.15462233 -3.66389407 6.36016495
0.00044115 -0.00045205 0.00001566
-0.05336856 0.00495162 0.02970791
-21.59077078 1.58404576 24.45420863
-0.00022175 -0.00005166 -0.00015215
-0.01097476 -0.00816042 0.00238914
24.90516788 -1.74834197 -6.51305901
-0.00004795 -0.00000879 -0.00014027
-0.01004169 0.00844449 0.00082980
11.85149249 -11.87372394 -10.02693331
0.00028792 -0.00017051 -0.00012641
-0.00764562 -0.01959270 -0.03656438
-4.73355147 -10.39246913 16.56118755
0.00013596 -0.00031106 -0.00002572
0.01045603 -0.01772301 0.05722066
8.21986517 2.47770842 -30.86695168
0.00002491 0.00035466 -0.00046446
-0.01915790 0.00603614 0.00095032
10.96118431 16.98953779 14.64209865
0.00018417 -0.00026667 -0.00025401
0.01073943 -0.01548705 0.00060660
30.64406004 7.25995691 -7.48346996
-0.00024353 -0.00009850 0.00035523
0.01838728 -0.01791949 -0.00238029
5.64947464 -30.08175974 -5.20161614
-0.00077247 -0.00011240 0.00039798
-0.00430527 -0.01929007 0.01910049
4.01301554 -30.67275889 -2.82626596
0.00068585 0.00086858 0.00021787
-0.00757399 0.00670234 0.00779710
-12.64185486 -1.82319735 -13.30182677
-0.00030028 -0.00047375 0.00031561
0.00687995 -0.00076530 0.00151771
-11.68882385 0.83496129 -12.35412275
-0.00017103 0.00068979 -0.00007098
-0.00383167 -0.02113437 -0.01099825
-38.01680930 4.02627168 2.61282889
0.00084273 0.00067092 0.00082129
0.00052966 0.04210557 -0.01780573
-39.62690918 1.88465172 3.38898850
0.00029340 -0.00067999 0.00039836
0.00171544 -0.00783464 -0.00026017
-9.94278230 -3.49278054 0.86504965
-0.00080801 -0.00012525 0.00011476
-0.00488615 0.00500362 -0.00302650
-8.55213559 -3.46636248 3.46445110
0.00060183 -0.00045317 0.00060526
-0.00769585 0.00679982 -0.01393892
0.32034249 -0.70190178 7.17050119
0.00125319 0.00020778 0.00035013
0.01491918 0.01129998 0.02791318
1.87431850 1.17120842 8.93668432
-0.00009934 0.00028765 -0.00043833
0.00207459 0.00321005 -0.00298612
-32.52903223 0.89085894 2.14902199
-0.00115423 -0.00082737 -0.00091221
-0.00172565 0.00922735 -0.00128682
-34.09528309 3.38621785 1.71971376
0.00082172 -0.00032957 -0.00078393
-0.00187282 -0.00598909 0.00278574
12.77643564 12.98454342 -15.29093007
0.00004521 0.00077017 0.00031006
-0.04556180 -0.03614675 -0.03053166
15.63338148 12.70922033 -14.61546801
0.00042127 -0.00021173 0.00081317
-0.02832116 0.01512080 -0.01392225
-3.94408066 8.80165409 4.39808773
-0.00006229 0.00006808 -0.00066262
-0.00539430 -0.00044177 0.01182750
-3.62723145 7.00672665 2.17004281
-0.00007886 -0.00006414 -0.00069029
-0.01692853 -0.01406222 0.04307143
6.13000536 15.76053270 -9.95359444
-0.00003450 0.00006108 0.00106248
0.00023452 0.00543474 -0.00267061
7.63591274 16.99645216 -7.78439276
-0.00011361 0.00026058 0.00039902
-0.00355935 -0.00229392 -0.00457987
7.61797408 7.27619792 -22.56653386
-0.00024217 0.00037507 -0.00016731
0.01730422 -0.00167392 -0.02730239
7.80973149 8.27593092 -19.86794622
-0.00000582 0.00140053 -0.00071997
0.00250038 -0.00055985 -0.00269304
21.61593613 17.69003550 -2.50848516
-0.00010789 -0.00072264 0.00009791
0.00873536 -0.00639430 0.00985990
24.41835836 17.79585241 -3.37983789
-0.00023802 -0.00000689 -0.00061593
0.00210408 0.00629848 -0.00648076
1.11845905 11.11301084 -21.22631163
-0.00029287 0.00011087 0.00115790
0.00409233 0.02039927 0.00987029
0.62804208 13.81086016 -22.29784450
0.00012043 0.00023649 0.00004583
0.00796550 0.00430607 0.00977754
9.82309320 -5.33242722 -1.70767134
-0.00004493 -0.00137390 -0.00014988
0.01833786 0.03266414 0.00240981
9.63498286 -2.76656803 -3.18714120
0.00113145 -0.00048528 -0.00114276
0.00533860 -0.00578140 0.02059116
-18.69398381 -4.26353668 5.29791610
0.00052628 -0.00060424 0.00016624
0.00929110 0.01868238 0.00119096
-17.27976536 -3.20660964 3.05826126
-0.00096191 -0.00039341 0.00009986
-0.00584950 0.00888712 0.00949829
-15.40229231 0.39578136 16.70470290
0.00008081 0.00043794 -0.00005884
0.00146487 -0.00245857 0.01515079
-13.74176745 1.03554179 18.97073342
-0.00038679 -0.00009659 0.00021382
-0.01136246 -0.00193957 0.00208181
3.10971785 3.97463364 -4.13884510
0.00007812 0.00020747 0.00088280
0.00235374 -0.00585877 0.00244425
3.28669398 1.13786942 -3.18616958
0.00031909 0.00109884 -0.00053418
0.00605191 0.01715597 -0.00489749
23.23693090 -9.69262295 -10.39157488
0.00091100 0.00029237 0.00003207
-0.00424903 0.02146639 0.00490624
24.89748144 -7.96392505 -8.67862106
0.00025377 -0.00018295 -0.00016782
0.02430903 0.00506428 0.01557495
2.40671397 -9.12353142 5.76644327
-0.00004031 -0.00051236 0.00019166
0.00200296 -0.00110948 -0.01675281
2.25065922 -8.24940120 8.35376687
-0.00140129 0.00020374 0.00025412
0.00656279 0.00985480 0.02255151
-3.46317499 -2.73255032 -17.88662652
0.00056359 0.00065427 -0.00056046
-0.00389095 -0.03161928 0.00484725
-5.06856858 -0.43814578 -17.05130093
-0.00016433 -0.00047999 0.00009550
-0.00012805 -0.00151909 0.00819225
1.95962601 4.78021981 -11.89633497
0.00050447 0.00014468 0.00081936
0.01372986 0.00276972 -0.01164109
1.76401403 4.18098102 -9.25558151
-0.00041115 0.00089335 0.00002902
0.01542100 -0.00669189 0.00444084
-0.94490036 16.24595111 13.28742710
-0.00023284 -0.00079141 0.00108097
-0.02069634 -0.00386835 0.01401259
-2.44989776 17.11848671 15.72762093
0.00048053 -0.00019467 0.00067471
0.00314452 0.00110039 0.02986656
-1.89905355 1.17831140 -5.48134076
-0.00060122 0.00009702 0.00062494
-0.00370347 0.01354617 -0.01129995
-2.89769362 0.89652073 -8.12844313
-0.00053439 -0.00002290 0.00059256
-0.02287638 -0.03353068 -0.04066958
-8.19771793 -3.07581004 -4.59200575
-0.00049823 0.00025979 0.00103534
-0.04262696 -0.02490822 -0.00282683
-7.31861806 -0.41944565 -3.92201096
0.00002415 -0.00064162 -0.00014152
-0.00609382 0.01021188 0.00114774
1.16851899 28.22310136 5.78028949
0.00026830 -0.00023837 -0.00039475
0.03475078 0.00147127 -0.03104893
-1.23291190 28.24493848 6.68249138
-0.00019519 -0.00067132 0.00015827
-0.07780844 -0.00146741 -0.01490531
8.33220980 -9.31254149 -2.03637278
-0.00034531 -0.00057111 0.00048013
0.00924417 0.00374457 -0.00297190
10.17583383 -9.87990214 0.12392040
0.00041824 0.00085830 -0.00043183
0.00945529 0.00211470 0.00661867
-5.86114724 0.42995039 9.31689310
0.00077769 0.00022697 0.00019940
-0.02081588 -0.00906193 -0.03255035
-8.54260397 -0.17371389 8.08240741
-0.00056425 -0.00006753 -0.00066875
-0.00421065 -0.00613451 0.00669277
19.49952521 11.34664661 8.03720463
-0.00010419 0.00019598 0.00095307
0.01466721 -0.01302455 0.02262782
19.50409020 13.24529074 6.00704946
0.00030839 0.00015587 0.00122074
0.01282373 0.02496587 -0.01317120
-2.69623499 -2.32544289 -22.53548328
-0.00021349 0.00121900 -0.00074619
0.00661354 0.04736548 0.02005963
-4.88726274 -3.46599703 -24.27866216
0.00059302 0.00085134 0.00040568
0.01056513 0.01462577 0.00594575
-12.46304955 9.15067085 9.63372490
0.00004665 -0.00013624 0.00016176
-0.00169200 -0.00126560 0.00150358
-12.97577847 8.85916286 6.81074850
0.00057122 0.00060897 0.00083339
-0.00297551 -0.00014007 0.00546273
-12.85530856 7.33038222 -4.62737998
-0.00067500 0.00025700 0.00023099
-0.00160359 0.00690457 0.00071444
-11.73477306 9.10107565 -2.47652638
-0.00057088 0.00069095 0.00005048
-0.00374422 -0.00294421 -0.00594060
-5.01607593 -17.38642932 19.76324437
-0.00044633 0.00026361 -0.00001615
0.02719494 0.02187854 0.02648633
-2.13465033 -16.70187839 19.35888123
-0.00075776 0.00120199 0.00001006
0.00181643 0.00275027 0.00482439
-3.48355311 5.36958195 -7.11102994
0.00062978 0.00032699 -0.00053239
0.00122244 0.01067564 -0.00159825
-3.98053483 8.39117554 -6.62502047
-0.00072656 -0.00141482 -0.00027968
-0.00053752 -0.00598394 -0.00245551
-21.14229910 28.03846439 0.62049122
-0.00011729 -0.00054322 0.00107634
-0.00275857 0.01152975 0.00654946
-18.77377056 29.62134558 1.16925050
0.00093784 0.00070498 -0.00130896
-0.02563781 0.00610317 0.00425446
8.42760427 2.71160611 6.49341644
-0.00078147 0.00028225 0.00048424
-0.02891403 -0.02207421 -0.03361791
9.28656994 4.71230936 8.09500326
0.00092688 -0.00131784 0.00018869
0.00766746 0.01112246 0.00813717
7.31369551 15.75955501 -14.25580220
0.00055799 0.00120700 0.00127748
-0.01933221 -0.03419417 0.03463528
6.99644439 12.90672075 -13.13934681
0.00110480 0.00196938 -0.00005625
0.00516546 -0.00292204 -0.00644395
13.14050834 5.06369489 -3.24879988
-0.00086588 -0.00020892 0.00076454
-0.02129171 0.02893856 -0.01165503
13.11758585 2.98620368 -1.34120249
-0.00117821 -0.00106477 0.00028536
0.01384962 0.00821549 0.00301676
-5.01214005 9.63020961 -0.39813189
0.00135113 -0.00029030 -0.00122802
-0.00038758 0.00028871 -0.00272701
-7.80114222 10.11042979 -0.42481854
0.00037750 -0.00063374 -0.00029732
-0.02333780 -0.00849890 0.00744195
4.66171204 13.13104286 2.12829819
0.00018811 0.00050413 -0.00059951
0.01725946 -0.00457067 0.00381920
7.59936072 12.27962855 2.66607033
-0.00088527 0.00110611 0.00065215
0.00624910 -0.01212880 -0.00574880
21.17699855 -12.97435981 -10.30703484
0.00041080 -0.00073757 0.00042790
-0.01579775 -0.00999508 0.01202590
22.52670797 -13.49885037 -12.76256558
0.00103746 0.00069752 0.00009246
0.01111276 -0.02096665 -0.02320112
17.81006422 -5.95607932 1.88407706
-0.00143394 0.00022765 -0.00000133
-0.00721865 0.01102966 0.00955876
16.39579446 -8.07647879 2.93498955
-0.00000501 -0.00037709 -0.00059096
-0.00607964 0.01572650 0.01550632
14.33463055 8.20256255 10.79544133
-0.00010419 0.00052773 -0.00019607
0.00348930 -0.00570282 -0.01104211
16.70261928 6.54632098 10.82797688
0.00011713 0.00000090 -0.00048432
-0.00535474 0.00356182 -0.00227597
1.60132975 -13.40578099 15.13012057
-0.00128469 -0.00010727 0.00116237
0.01458714 0.01167078 0.02146847
3.54995359 -12.36356016 17.39183967
-0.00062350 -0.00023268 -0.00045899
-0.01068704 0.00995278 -0.01081006
-3.46841703 -2.72642761 -9.88504183
0.00001953 0.00051977 0.00025128
-0.00394822 0.00983746 -0.00632567
-1.97302758 -1.01061566 -11.71009644
0.00055732 -0.00117207 -0.00060822
0.01503165 0.00607181 -0.00879822
15.15276463 -7.80294785 -11.38856991
-0.00019205 -0.00081974 0.00126767
-0.01229627 -0.00221574 0.01731262
16.97849771 -7.04685217 -9.27622973
0.00005626 -0.00028133 -0.00012486
0.01106152 0.00676928 0.01500633
7.49836932 -3.06984778 5.59884897
-0.00030985 -0.00051977 -0.00002306
0.02138961 -0.00971909 0.00724732
10.33932479 -3.95635344 5.06892025
0.00100244 -0.00117246 0.00023285
0.01513742 0.00129137 -0.02853815
-21.03610315 0.98376313 22.80839343
0.00048670 -0.00023802 0.00082650
-0.00791881 0.00408457 0.00906702
-23.18936675 0.69987647 24.96862383
-0.00036363 0.00029095 -0.00081626
0.01992323 0.00913156 -0.00764924
25.72382293 -2.49156475 -7.94391869
0.00061818 0.00020507 0.00021597
0.01397603 -0.01643778 -0.00494846
23.66534370 -0.69791263 -7.32245908
0.00000832 -0.00030292 -0.00028374
-0.00501327 0.00501097 0.00257521
11.14870865 -12.88397470 -8.73027533
-0.00074774 0.00082104 -0.00003800
-0.01229545 -0.00498965 0.02202195
12.81822547 -10.49487912 -9.48756929
0.00085472 -0.00035662 0.00005771
0.01851927 0.02302156 0.01406046
-5.67404839 -10.38327899 18.19754895
-0.00003473 -0.00012169 0.00021693
0.02097346 -0.00324067 -0.00828235
-6.03392580 -9.97480119 15.46943565
0.00088065 -0.00002451 -0.00053725
-0.02618700 0.01499937 -0.04138441
9.21270404 1.23373315 -31.76746182
0.00022945 -0.00049468 -0.00016479
-0.00240346 -0.01142164 -0.00059270
6.69024248 2.73128506 -31.89643919
0.00087043 0.00016885 -0.00117472
0.01011988 -0.00202840 0.00745534
11.40030442 17.85920576 13.09106800
-0.00009793 -0.00118170 -0.00000921
0.00066121 0.00192387 0.00083980
11.91824028 15.38246605 14.53035385
0.00004168 0.00007013 -0.00057718
-0.00808900 0.02401324 -0.00068940
30.98377202 5.42988783 -7.85578727
0.00056755 0.00012978 0.00005059
-0.00528878 0.01261180 -0.00258636
28.84320843 7.37015645 -7.49221441
0.00142005 -0.00027490 -0.00041259
-0.01573972 0.00702287 -0.00110285
-8.39944770 4.82856696 5.65388087
0.00008850 -0.00005673 0.00003767
0.00797160 0.00435549 0.00089136
-10.73151141 10.13658078 3.36677462
0.00001384 -0.00004048 -0.00008411
-0.00729682 -0.00552447 0.00573131
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08344028
0.33462623
445.87268049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.4025760447 (a.u.)
total exchange computation time: 2.8356750011 s
-154.2650440375
-931.41716083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.4016930066 (a.u.)
total exchange computation time: 2.8368780613 s
-154.2727376620
Anderson extrapolation: theta=1.3476555902 (1.3476555902)
-931.41741361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4003898191 (a.u.)
total exchange computation time: 2.8354580402 s
-154.2837997725
Anderson extrapolation: theta=0.0522293880 (0.0522293880)
-931.41756325
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4002333298 (a.u.)
total exchange computation time: 2.8338720798 s
-154.2849901279
Anderson extrapolation: theta=1.9131501318 (1.9131501318)
-931.41756869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3999079259 (a.u.)
total exchange computation time: 2.8375160694 s
-154.2874243388
Anderson extrapolation: theta=0.2190612250 (0.2190612250)
-931.41757410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3998296112 (a.u.)
total exchange computation time: 2.8349099159 s
-154.2879742752
Anderson extrapolation: theta=1.8425651174 (1.8425651174)
-931.41757507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3997073231 (a.u.)
total exchange computation time: 2.8365941048 s
-154.2887892774
Anderson extrapolation: theta=0.2822720100 (0.2822720100)
-931.41757615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3996959123 (a.u.)
total exchange computation time: 2.8341019154 s
-154.2888198183
Anderson extrapolation: theta=1.3132275471 (1.3132275471)
-931.41757640
-167.295818 76.166188 -35.885903
566.716079 1066.346524 -418.497255
399.420261 1142.512712 -454.383159
1292.801569
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3996990748 (a.u.)
total exchange computation time: 2.8369619846 s
679.17687023
-1084.75003407
89.84090879
-388.40430398
-174.88131844
78.83842140
551.60419304
0.00000000
-931.41757656
5.41423957 -31.32397043 -3.76242000
-0.00036908 -0.00017740 -0.00003053
0.00782404 0.01461933 -0.02918270
-11.87230978 -0.95818466 -11.82492189
0.00000941 0.00012440 0.00006811
0.00829142 0.01812023 0.00491448
-37.86798838 2.38501898 3.22650317
0.00002145 0.00020166 -0.00026098
-0.00573867 -0.03392878 0.02101994
-9.96207534 -2.67927488 2.50919209
-0.00049100 0.00028562 0.00012676
0.03476631 -0.00862950 0.03183008
0.87401851 -0.34044387 8.94431953
0.00016001 -0.00034120 -0.00008025
-0.01223404 -0.01359505 -0.02302250
-32.39691563 2.73181364 1.80365788
-0.00000910 0.00005368 0.00001036
0.00877685 -0.02014183 -0.00028964
14.07941386 13.82290806 -14.54071910
0.00024772 0.00023424 -0.00030541
0.08074403 0.02072297 0.04286904
-4.29857040 7.03038307 3.99868320
-0.00048774 -0.00014307 -0.00007569
0.02448058 0.00625666 -0.05222125
5.89437917 16.67793473 -8.34335189
0.00028814 -0.00017034 0.00020562
0.00092059 -0.00252950 0.01532617
6.73305260 7.30134218 -21.00398922
-0.00026538 0.00010030 0.00014962
-0.01575978 -0.00117896 0.02756012
23.33457674 17.09971132 -2.09604082
-0.00015639 -0.00007961 0.00027750
0.00348974 -0.00208661 -0.00884319
1.42959318 12.95219889 -20.86795869
0.00004967 -0.00004176 0.00014128
-0.01115515 -0.02703132 -0.02132255
10.45110679 -3.50354687 -1.67333997
0.00005892 0.00022454 -0.00013559
-0.03060161 -0.04579049 -0.03632600
-17.78832246 -2.68849483 4.76789833
0.00020641 -0.00004994 0.00007311
-0.00790474 -0.03593029 -0.01146037
-15.25657390 0.08723808 18.53628311
0.00021005 -0.00013298 -0.00019474
0.01481684 0.00103584 -0.02095708
2.57068802 2.81077646 -2.83603169
-0.00052905 0.00011546 0.00020874
-0.01328820 -0.00388294 0.00351767
23.46748953 -7.92849877 -9.72646709
0.00008388 -0.00023617 -0.00026403
-0.01480782 -0.01739294 -0.01852356
1.56843173 -7.86192402 6.74981871
0.00034828 0.00014259 0.00018641
-0.01029973 0.00459349 -0.01720112
-3.56796412 -0.96665601 -17.98454823
0.00044357 0.00032040 0.00027682
0.00852755 0.03352242 -0.01034452
3.08828564 4.24777623 -10.53725339
-0.00045681 -0.00005007 0.00022773
-0.02353788 -0.00017390 0.01067601
-2.63853158 16.84745322 13.99396851
-0.00002074 0.00010203 -0.00007289
0.01693652 0.00070834 -0.03577828
-2.27310683 2.12109591 -7.03323723
0.00005846 0.00009605 0.00003487
0.02740028 0.02020626 0.05376822
-6.79683567 -2.03837930 -4.52800808
-0.00015287 0.00001577 -0.00015450
0.04617837 0.00914533 -0.00025025
0.35480358 28.31798118 7.34645747
-0.00004253 0.00014142 0.00006154
0.04283890 -0.00375593 0.03288660
10.13378800 -9.14710507 -1.55658312
0.00022523 -0.00007804 -0.00017647
-0.01882267 -0.00200163 -0.01396927
-6.92920793 0.55344825 7.69684987
-0.00024638 0.00036354 0.00028920
0.02307828 0.01193828 0.02330172
18.83936758 11.64472375 6.40773065
0.00021213 -0.00016737 0.00007637
-0.02444020 -0.01315877 -0.00378788
-3.36544017 -3.76466970 -23.23603767
-0.00022702 0.00012546 0.00001395
-0.01880972 -0.04896550 -0.02185891
-13.64312851 8.34812219 8.47128871
-0.00002107 0.00004930 0.00023795
0.00611101 0.00157179 -0.00840745
-12.24668282 7.36705797 -2.86599087
-0.00028317 -0.00033155 -0.00044538
0.01076221 0.00755867 0.01566509
-3.49528893 -16.41755475 20.54537213
-0.00032644 -0.00031340 0.00006851
-0.03216812 -0.01736915 -0.01905376
-3.54841854 7.07490315 -7.84966542
-0.00049973 0.00042564 0.00018904
0.00729138 -0.00502676 -0.01084844
-20.68704265 29.69951024 1.31967933
-0.00003841 0.00025287 -0.00002729
0.03449447 -0.01775769 -0.00791897
9.87818700 3.10595578 7.42009359
0.00003193 0.00007479 -0.00010054
0.01950577 0.01450694 0.01813607
6.39370778 14.60258267 -12.92296940
0.00010038 0.00002283 0.00037775
0.01912906 0.04595382 -0.02738002
14.14685180 3.69697623 -2.73454128
0.00017774 -0.00026761 0.00005487
0.00300325 -0.03579575 0.01017675
-6.24810893 10.97691295 -0.33674097
0.00007620 -0.00012843 0.00013621
0.03382547 0.00597558 -0.01016676
6.23610517 13.33844313 3.13431398
0.00031755 0.00027598 0.00002930
-0.03907597 0.02891485 0.00933774
21.85103497 -12.17137337 -11.77463243
-0.00012522 0.00014599 -0.00020720
-0.00631089 0.02606365 0.02296374
16.79706238 -6.30371280 3.40699938
0.00035846 0.00014416 -0.00007051
0.00726199 -0.02795491 -0.02746910
15.35855760 7.08563079 9.69320241
0.00018185 -0.00034090 -0.00035302
-0.00584334 0.00443752 0.01148146
3.00650460 -13.71705742 16.28420758
0.00000242 0.00014084 -0.00037339
-0.00140022 -0.02603306 -0.01326066
-3.58122602 -1.12353158 -10.86936979
-0.00013029 -0.00036831 -0.00004363
-0.00682197 -0.00523636 0.01417503
15.34838279 -7.82809496 -9.50967115
-0.00005757 0.00021715 -0.00021491
-0.01373454 -0.00692856 -0.02214297
9.16103370 -3.67065571 6.36051440
0.00041362 -0.00044948 0.00003030
-0.05366914 0.00502236 0.02724404
-21.59413941 1.58323934 24.45193567
-0.00022745 -0.00005530 -0.00015001
-0.01116855 -0.00599996 0.00592187
24.90440984 -1.74844120 -6.51515986
-0.00005292 -0.00000463 -0.00013962
-0.00927756 0.00771052 0.00170825
11.85578179 -11.87635713 -10.02897044
0.00028448 -0.00017997 -0.00014500
-0.00574338 -0.01721322 -0.03572585
-4.73147177 -10.39720340 16.56102243
0.00014133 -0.00032016 0.00000414
0.01041413 -0.01765311 0.05889192
8.22016496 2.48305155 -30.87391487
0.00001613 0.00035690 -0.00046425
-0.01499139 0.00270492 -0.00013328
10.96398829 16.98547800 14.63829083
0.00018916 -0.00027481 -0.00025268
0.00867414 -0.01617999 0.00458590
30.64047805 7.25841021 -7.47815071
-0.00023046 -0.00010781 0.00035393
0.03241743 -0.01824680 -0.00267373
5.63775573 -30.08403691 -5.19506108
-0.00078769 -0.00018934 0.00047207
-0.00314789 -0.01837040 0.01716480
4.02307122 -30.65952487 -2.82275894
0.00065075 0.00089633 0.00025340
-0.00960662 0.00688526 0.00959229
-12.64614819 -1.83032710 -13.29704617
-0.00027077 -0.00047467 0.00032308
0.00756405 0.00031791 0.00214140
-11.69150666 0.84466046 -12.35552446
-0.00018730 0.00059678 -0.00011532
-0.00413426 -0.02439181 -0.01070515
-38.00415214 4.03762574 2.62460262
0.00084241 0.00084074 0.00074984
-0.00068452 0.04102326 -0.01716725
-39.62245556 1.87421177 3.39495592
0.00030150 -0.00070862 0.00039585
0.00224773 -0.00617821 -0.00096984
-9.95505219 -3.49450590 0.86667828
-0.00082737 -0.00010371 0.00010458
-0.00459253 0.00553644 -0.00195733
-8.54334395 -3.47295170 3.47310285
0.00055771 -0.00041819 0.00053921
-0.01390316 0.01032300 -0.01839398
0.33959748 -0.69843874 7.17660852
0.00130940 0.00025002 0.00045379
0.01259500 0.00937618 0.02282852
1.87289203 1.17562150 8.93001781
-0.00009435 0.00029570 -0.00044838
0.00036440 0.00073282 -0.00193045
-32.54639855 0.87873115 2.13529936
-0.00115835 -0.00078092 -0.00091791
-0.00028966 0.01351095 -0.00150438
-34.08301473 3.38109077 1.70804018
0.00080048 -0.00034726 -0.00077313
-0.00852337 -0.00267036 0.00250189
12.77571767 12.99498834 -15.28721477
-0.00014476 0.00061892 0.00018294
-0.04743065 -0.03789050 -0.03169243
15.63883263 12.70650774 -14.60369715
0.00030194 -0.00014845 0.00075463
-0.03008923 0.01585269 -0.01473325
-3.94518037 8.80266172 4.38851088
-0.00008506 0.00006394 -0.00061382
-0.00575172 -0.00158556 0.01205918
-3.62893314 7.00533367 2.16100826
-0.00015060 -0.00012218 -0.00050879
-0.01818641 -0.01435106 0.04577318
6.12949508 15.76161548 -9.93773906
-0.00003156 0.00007768 0.00104178
0.00120332 0.00269171 -0.00746514
7.63409952 17.00029053 -7.77854773
-0.00012529 0.00025111 0.00038074
-0.00215724 -0.00234076 -0.00437220
7.61487183 7.28177274 -22.56988018
-0.00017489 0.00036731 -0.00027451
0.01562652 -0.00212481 -0.02517329
7.80972077 8.29692168 -19.87882826
0.00000186 0.00139584 -0.00073175
0.00126069 -0.00173479 -0.00307325
21.61458550 17.67900001 -2.50671433
-0.00007502 -0.00074739 0.00013782
0.00735091 -0.00572082 0.00967544
24.41485257 17.79594209 -3.38927547
-0.00023527 0.00001528 -0.00063530
-0.00076143 0.00455246 -0.00300181
1.11419148 11.11529892 -21.20864068
-0.00027697 0.00019112 0.00119602
0.00368849 0.01888590 0.00879173
0.63009260 13.81453950 -22.29685736
0.00015374 0.00025181 0.00008738
0.00833880 0.00319172 0.01055879
9.82298117 -5.35203477 -1.70984575
0.00003448 -0.00122655 -0.00014008
0.02053510 0.03946637 0.00238862
9.65211813 -2.77402435 -3.20365157
0.00115286 -0.00050924 -0.00105788
0.00514589 -0.00594999 0.02095457
-18.68580495 -4.27202777 5.30044626
0.00056503 -0.00052475 0.00017164
0.00967928 0.02022781 0.00145095
-17.29437327 -3.21223839 3.06005021
-0.00098349 -0.00035689 0.00013454
-0.00471180 0.00898712 0.00747964
-15.40103525 0.40227505 16.70428462
0.00008690 0.00042793 0.00000232
0.00151318 -0.00243807 0.01478600
-13.74791740 1.03403344 18.97400445
-0.00042826 -0.00010170 0.00022355
-0.00894080 -0.00055910 0.00268506
3.11096177 3.97756620 -4.12552820
0.00008812 0.00018773 0.00089034
0.00253930 -0.00380314 0.00124475
3.29166576 1.15487776 -3.19433238
0.00034526 0.00116168 -0.00055346
0.00675901 0.01360308 -0.00453783
23.25046565 -9.68757963 -10.39094356
0.00089138 0.00037232 0.00004926
-0.00535323 0.01766873 0.00351280
24.90203294 -7.96651412 -8.68066113
0.00034934 -0.00016155 -0.00010686
0.02247335 0.00541387 0.01426901
2.40617074 -9.13125082 5.76880483
-0.00003395 -0.00051336 0.00012749
0.00110742 0.00061843 -0.01465932
2.22984095 -8.24604308 8.35826975
-0.00137037 0.00024089 0.00035466
0.00857312 0.00832880 0.02666414
-3.45484034 -2.72370519 -17.89488489
0.00054870 0.00051879 -0.00054096
-0.00340030 -0.03470020 0.00470067
-5.07103746 -0.44539224 -17.04961739
-0.00016274 -0.00048593 0.00012777
0.00090502 -0.00138813 0.00760208
1.96761376 4.78247482 -11.88440126
0.00055236 0.00015992 0.00076086
0.00971471 0.00469005 -0.01699507
1.75831932 4.19417617 -9.25501014
-0.00034983 0.00086522 0.00004983
0.01459410 -0.00707455 0.00574776
-0.94902711 16.23396144 13.30407105
-0.00031498 -0.00080713 0.00113433
-0.01951365 -0.00382910 0.01210671
-2.44259343 17.11560041 15.73865673
0.00049032 -0.00019232 0.00078209
0.00164737 0.00004954 0.02269895
-1.90818537 1.18018182 -5.47231291
-0.00061673 0.00015505 0.00057483
-0.00389004 0.01485980 -0.01322876
-2.90641048 0.89514971 -8.12080089
-0.00062758 -0.00015890 0.00042702
-0.02274190 -0.03303858 -0.04036779
-8.20649765 -3.07267646 -4.57656224
-0.00066859 0.00015922 0.00102450
-0.04076530 -0.02432225 -0.00248237
-7.31844256 -0.42875697 -3.92409857
-0.00000283 -0.00058953 -0.00013331
-0.00711335 0.01528607 0.00287258
1.17360835 28.21957094 5.77341684
0.00040316 -0.00023151 -0.00051081
0.03126281 0.00188370 -0.02576399
-1.23822402 28.23482376 6.68440863
-0.00050634 -0.00067736 0.00009924
-0.07450170 -0.00148957 -0.01399105
8.32731342 -9.32099340 -2.02926194
-0.00030250 -0.00055471 0.00046804
0.01171158 0.00428485 -0.00294586
10.18239720 -9.86696280 0.11764581
0.00045783 0.00086325 -0.00039567
0.00992114 0.00030731 0.01108179
-5.85011981 0.43307726 9.31888659
0.00068764 0.00018905 0.00006413
-0.02326082 -0.00949884 -0.03366126
-8.55119677 -0.17491476 8.07258125
-0.00057638 -0.00009097 -0.00064011
-0.00172557 -0.00534013 0.00732782
19.49841186 11.34918722 8.05219408
-0.00004884 0.00014296 0.00103512
0.01242515 -0.01293181 0.01753638
19.50910894 13.24839387 6.02495697
0.00035962 0.00025629 0.00116625
0.01225511 0.02418937 -0.01350466
-2.69923462 -2.30570653 -22.54606148
-0.00019046 0.00139949 -0.00067005
0.00465821 0.04098930 0.01721465
-4.87804372 -3.45277880 -24.27239477
0.00062741 0.00091009 0.00042364
0.00626879 0.01413610 0.00284737
-12.46240170 9.14858846 9.63619733
0.00003964 -0.00014128 0.00016956
-0.00173682 -0.00119882 0.00231738
-12.96730142 8.86829311 6.82341676
0.00055865 0.00060796 0.00085235
-0.00317346 -0.00035520 0.00381787
-12.86548263 7.33444886 -4.62389324
-0.00068331 0.00028447 0.00022776
-0.00246771 0.00653835 -0.00229775
-11.74345104 9.11134972 -2.47595115
-0.00058937 0.00066583 0.00002351
-0.00530330 -0.00935261 -0.00726350
-5.02193756 -17.38180475 19.76381381
-0.00033661 0.00035112 0.00009105
0.02651685 0.02095725 0.02598659
-2.14596110 -16.68376425 19.35918000
-0.00074446 0.00121156 0.00002432
0.00469501 0.00193218 0.00215509
-3.47406900 5.37481388 -7.11906480
0.00063421 0.00036786 -0.00053798
0.00094723 0.00933439 -0.00113817
-3.99144965 8.36976984 -6.62929095
-0.00073352 -0.00142344 -0.00027535
-0.00286965 0.00176767 0.00457728
-21.14414298 28.03066934 0.63683708
-0.00012701 -0.00049241 0.00110420
-0.00199853 0.01334234 0.00708768
-18.76048857 29.63210729 1.14974649
0.00082305 0.00072920 -0.00128968
-0.03055111 0.00575326 0.00518522
8.41499615 2.71516338 6.49964993
-0.00089336 0.00019364 0.00035056
-0.02585571 -0.02129688 -0.03182194
9.30070803 4.69288253 8.09808302
0.00095224 -0.00125458 0.00022946
0.00475111 0.01984741 0.01181611
7.32147292 15.77661217 -14.23557869
0.00047768 0.00106611 0.00141895
-0.01997744 -0.03476924 0.03461692
7.01317465 12.93617190 -13.14038801
0.00113367 0.00193424 -0.00008486
0.00896804 -0.01427707 -0.00756171
13.12686766 5.06144782 -3.23768894
-0.00094735 -0.00009703 0.00071887
-0.01858543 0.02583431 -0.01069972
13.10033713 2.97048382 -1.33682969
-0.00111213 -0.00102623 0.00028815
0.01849472 0.01065090 -0.00164730
-4.99188493 9.62586403 -0.41663576
0.00133823 -0.00027853 -0.00123831
-0.00592607 0.00546844 -0.00230966
-7.79619489 10.10066326 -0.42905036
0.00028341 -0.00066908 -0.00026690
-0.02271769 -0.00880088 0.00745306
4.66506259 13.13846481 2.11942263
0.00026218 0.00048593 -0.00058024
0.01899813 -0.00433819 0.00561131
7.58627313 12.29584859 2.67567638
-0.00083743 0.00103960 0.00062107
0.01716861 -0.02042811 -0.00946175
21.18267645 -12.98572967 -10.30024785
0.00035100 -0.00077264 0.00046668
-0.01347689 -0.00716954 0.00695883
22.54261034 -13.48903007 -12.76188958
0.00108291 0.00061091 -0.00000310
0.01113572 -0.02142895 -0.02357911
17.78833396 -5.95232662 1.88435001
-0.00145475 0.00027611 0.00002679
-0.00296864 0.01269440 0.00420527
16.39553303 -8.08165321 2.92660038
-0.00002789 -0.00030519 -0.00052449
-0.00512225 0.01946584 0.01703003
14.33317458 8.21030373 10.79216189
-0.00008477 0.00049807 -0.00024634
0.00601590 -0.00881352 -0.01356279
16.70421210 6.54644360 10.82064231
0.00009750 0.00001444 -0.00049151
-0.00425338 0.00306605 -0.00124186
1.58250633 -13.40703246 15.14821392
-0.00122534 -0.00006018 0.00124918
0.01446773 0.01138276 0.02102825
3.54027358 -12.36674544 17.38462356
-0.00066487 -0.00018674 -0.00049737
-0.00956208 0.01253590 -0.00797489
-3.46824501 -2.71832956 -9.88146640
0.00000293 0.00055364 0.00022873
-0.00418146 0.00674258 -0.00471445
-1.96420718 -1.02801066 -11.71948936
0.00060715 -0.00114703 -0.00063813
0.00936224 0.00618790 -0.00584240
15.14950713 -7.81531188 -11.36902439
-0.00024296 -0.00082717 0.00132009
-0.01262843 -0.00142021 0.00834716
16.97968054 -7.05086466 -9.27764277
0.00010243 -0.00025274 -0.00006400
0.01154089 0.00722722 0.01478527
7.49437708 -3.07794209 5.59872521
-0.00021677 -0.00056116 0.00000723
0.02417346 -0.01054260 0.00757624
10.35482527 -3.97390077 5.07153846
0.00105788 -0.00116553 0.00012133
0.01200076 0.00210292 -0.02604790
-21.02904533 0.98031797 22.82106883
0.00045728 -0.00022428 0.00085476
-0.00648383 0.00264318 0.00476322
-23.19421062 0.70452051 24.95614548
-0.00028450 0.00032686 -0.00084579
0.01880830 0.00844607 -0.00680251
25.73352393 -2.48899239 -7.94083083
0.00067502 0.00013809 0.00019532
0.01384896 -0.01634849 -0.00515915
23.66531488 -0.70230294 -7.32663622
-0.00001363 -0.00028129 -0.00027447
-0.00573120 0.00558022 0.00196034
11.13711583 -12.87181193 -8.73017056
-0.00079834 0.00079983 0.00005232
-0.01247403 -0.00539694 0.02219181
12.83161377 -10.49952297 -9.48627279
0.00092714 -0.00026671 0.00011348
0.01693094 0.02098965 0.01324052
-5.67392658 -10.38520369 18.20054917
0.00005137 -0.00013450 0.00017923
0.02117057 -0.00302995 -0.01017619
-6.02151853 -9.97470914 15.46010879
0.00077277 0.00003717 -0.00070564
-0.02661862 0.01519113 -0.04104446
9.21607213 1.22596293 -31.76995178
0.00021585 -0.00053631 -0.00016299
-0.00425358 -0.00895442 0.00147293
6.70360907 2.73375566 -31.91383153
0.00090722 0.00016174 -0.00114590
0.00788874 -0.00145289 0.00665313
11.39885569 17.84153914 13.09095552
-0.00009313 -0.00116712 -0.00001488
0.00169005 0.00521716 -0.00361323
11.91861767 15.38425379 14.52167498
0.00001091 0.00016292 -0.00057865
-0.00697295 0.02140861 -0.00002907
30.99212315 5.43222100 -7.85510762
0.00054530 0.00018096 0.00004013
-0.00560145 0.01244159 -0.00253755
28.86402684 7.36624823 -7.49843712
0.00132726 -0.00024472 -0.00041797
-0.02968080 0.00774868 -0.00152682
-8.39809888 4.82772766 5.65444831
0.00009136 -0.00005518 0.00003797
0.00801942 0.00433192 0.00080143
-10.73131646 10.13596394 3.36552295
0.00001214 -0.00004176 -0.00008280
-0.00741205 -0.00545750 0.00559852
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08352253
0.33405402
445.11023973
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.4035819605 (a.u.)
total exchange computation time: 2.8333361149 s
-154.2715388985
-931.41648312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.4026564743 (a.u.)
total exchange computation time: 2.8360359669 s
-154.2795162609
Anderson extrapolation: theta=1.3412296589 (1.3412296589)
-931.41673158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4012987318 (a.u.)
total exchange computation time: 2.8328161240 s
-154.2909335736
Anderson extrapolation: theta=0.0502538978 (0.0502538978)
-931.41687734
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4011393296 (a.u.)
total exchange computation time: 2.8350660801 s
-154.2921407340
Anderson extrapolation: theta=1.8859938724 (1.8859938724)
-931.41688235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.4008107115 (a.u.)
total exchange computation time: 2.8360021114 s
-154.2945932495
Anderson extrapolation: theta=0.2155991490 (0.2155991490)
-931.41688708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.4007310598 (a.u.)
total exchange computation time: 2.8339989185 s
-154.2951554961
Anderson extrapolation: theta=1.8757233169 (1.8757233169)
-931.41688789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.4006030102 (a.u.)
total exchange computation time: 2.8362958431 s
-154.2960192146
Anderson extrapolation: theta=0.2837204980 (0.2837204980)
-931.41688876
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.4005894790 (a.u.)
total exchange computation time: 2.8349249363 s
-154.2960688459
Anderson extrapolation: theta=1.3033022054 (1.3033022054)
-931.41688895
-167.263091 76.133634 -35.846893
566.743160 1066.364059 -418.463997
399.480070 1142.497693 -454.310890
1292.781378
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4005900989 (a.u.)
total exchange computation time: 2.8377549648 s
679.18214466
-1084.78262419
89.84978910
-388.38203416
-174.88357436
78.85817658
551.60419304
0.00000000
-931.41688905
5.40873361 -31.32657500 -3.76299047
-0.00036493 -0.00017024 -0.00004521
0.00828381 0.01320796 -0.02790959
-11.87213666 -0.95624871 -11.82388127
0.00001357 0.00013414 0.00007036
0.00789059 0.01974411 0.00382295
-37.86768875 2.38791293 3.22266952
0.00001866 0.00018455 -0.00025029
-0.00511213 -0.03259652 0.02054270
-9.96930621 -2.67502385 2.51121622
-0.00047178 0.00028026 0.00014369
0.03995656 -0.01223448 0.03402947
0.87637143 -0.34561438 8.94302697
0.00015477 -0.00034703 -0.00009081
-0.00813215 -0.00906333 -0.01803986
-32.39701823 2.73254115 1.80381218
-0.00000328 0.00004145 0.00001034
0.01383895 -0.02743383 0.00021571
14.08344113 13.82650154 -14.54513496
0.00028923 0.00024478 -0.00028333
0.08066497 0.02027303 0.04300366
-4.30579205 7.02826114 3.99734638
-0.00047486 -0.00013953 -0.00010300
0.02561801 0.00751520 -0.05397018
5.89870488 16.67536987 -8.34020847
0.00028794 -0.00017090 0.00021470
-0.00173103 0.00034420 0.01998541
6.72901111 7.30284215 -21.00163865
-0.00027255 0.00010010 0.00016308
-0.01211613 0.00040498 0.02479736
23.33224440 17.09850909 -2.09191237
-0.00015343 -0.00008039 0.00027212
0.00801255 -0.00095446 -0.01208066
1.43029526 12.95146823 -20.86592168
0.00004409 -0.00005485 0.00013047
-0.01055337 -0.02386727 -0.02073990
10.45187258 -3.50035540 -1.67551393
0.00004289 0.00019952 -0.00015423
-0.03172845 -0.05152316 -0.03617992
-17.78525683 -2.68938256 4.76895074
0.00020207 -0.00006871 0.00006776
-0.00898482 -0.03705939 -0.00932162
-15.25336599 0.08524730 18.53328120
0.00021691 -0.00013280 -0.00020552
0.01187727 -0.00033316 -0.02098393
2.56270098 2.81249337 -2.83288702
-0.00053608 0.00011381 0.00021076
-0.01404944 -0.00253064 0.00434989
23.46869066 -7.93210846 -9.73049896
0.00007722 -0.00024408 -0.00027252
-0.01111343 -0.01337249 -0.01449640
1.57361614 -7.85976750 6.75254846
0.00034285 0.00014483 0.00017615
-0.01080567 0.00412488 -0.02269453
-3.56127761 -0.96172074 -17.98043590
0.00044749 0.00033804 0.00027175
0.00670344 0.03507630 -0.00933971
3.08134270 4.24702445 -10.53379631
-0.00046756 -0.00005060 0.00023421
-0.01827101 -0.00188913 0.01454709
-2.63877741 16.84898644 13.99273717
-0.00001205 0.00010266 -0.00008873
0.01688097 0.00171745 -0.02582032
-2.27212428 2.12261462 -7.03250674
0.00007232 0.00010569 0.00006235
0.02650432 0.01729362 0.05308757
-6.79895058 -2.03810743 -4.53032648
-0.00012981 0.00001885 -0.00015513
0.04350272 0.00280995 -0.00220225
0.35433081 28.32008799 7.34750741
-0.00002106 0.00013932 0.00007631
0.04065904 -0.00441407 0.02456359
10.13709377 -9.14828339 -1.55928405
0.00021479 -0.00007873 -0.00018473
-0.02175906 -0.00068773 -0.01816859
-6.93281468 0.55894739 7.70127776
-0.00023469 0.00036947 0.00030114
0.02239621 0.01111874 0.02310857
18.84245529 11.64216245 6.40886152
0.00020045 -0.00017372 0.00007584
-0.02098811 -0.01154512 0.00175251
-3.36891801 -3.76297663 -23.23591271
-0.00023484 0.00010237 0.00000443
-0.01158918 -0.04084810 -0.01517708
-13.64342093 8.34886780 8.47482550
-0.00001791 0.00005013 0.00023381
0.00614402 0.00165164 -0.00767055
-12.25088886 7.36211384 -2.87261120
-0.00027698 -0.00032606 -0.00043608
0.01329400 0.01378567 0.02052052
-3.50030954 -16.42232280 20.54632631
-0.00034334 -0.00032179 0.00005963
-0.03355145 -0.01522848 -0.01549658
-3.55588642 7.08126836 -7.84687162
-0.00049515 0.00042120 0.00018139
0.01052035 -0.01222639 -0.01892483
-20.68748572 29.70323483 1.31923941
-0.00001981 0.00024341 -0.00003165
0.03784803 -0.01902510 -0.00902040
9.87874117 3.10713367 7.41865538
0.00004159 0.00007964 -0.00009290
0.01807030 0.00433418 0.01159852
6.39528725 14.60310240 -12.91740870
0.00010929 0.00004934 0.00036406
0.01553915 0.05713999 -0.02587348
14.14952951 3.69282394 -2.73367894
0.00017732 -0.00028545 0.00006081
-0.00463901 -0.03357425 0.01290903
-6.24683541 10.97500958 -0.33473711
0.00009456 -0.00012665 0.00013082
0.03756411 0.00093754 -0.01076774
6.24071770 13.34269435 3.13478954
0.00029430 0.00029290 0.00003460
-0.05135362 0.03688906 0.01124836
21.84913226 -12.16908305 -11.77765181
-0.00012899 0.00015848 -0.00019418
-0.00832635 0.02253775 0.02766791
16.80246726 -6.30165816 3.40583573
0.00036085 0.00012858 -0.00008344
0.00203838 -0.03264906 -0.02281865
15.36126283 7.08053439 9.68795138
0.00017791 -0.00033778 -0.00034684
-0.00949914 0.00769810 0.01256824
3.00653549 -13.71504528 16.27855554
0.00000147 0.00012691 -0.00038071
-0.00228682 -0.02813602 -0.01519951
-3.58320664 -1.12907649 -10.86996950
-0.00013227 -0.00037007 -0.00003764
-0.00089006 -0.00160898 0.00910241
15.34746627 -7.82486443 -9.51298015
-0.00006442 0.00021342 -0.00022364
-0.01288963 -0.00758666 -0.01183340
9.16703103 -3.67737860 6.36107403
0.00038631 -0.00044699 0.00004353
-0.05252891 0.00468722 0.02420035
-21.59759419 1.58238664 24.44970839
-0.00023316 -0.00005774 -0.00014604
-0.01105023 -0.00347882 0.00951938
24.90358023 -1.74848095 -6.51724753
-0.00005744 -0.00000090 -0.00013864
-0.00830475 0.00678966 0.00210356
11.86002678 -11.87912312 -10.03128318
0.00028210 -0.00018815 -0.00016285
-0.00350691 -0.01456958 -0.03370476
-4.72931172 -10.40207385 16.56131164
0.00014634 -0.00032908 0.00003433
0.00908756 -0.01706162 0.05852255
8.22034910 2.48841556 -30.88087908
0.00000956 0.00035741 -0.00046454
-0.01057680 -0.00072592 -0.00099313
10.96685919 16.98129339 14.63451839
0.00019301 -0.00028314 -0.00024930
0.00629006 -0.01619203 0.00855480
30.63714614 7.25672275 -7.47285210
-0.00021025 -0.00011719 0.00035255
0.04620292 -0.01824246 -0.00268402
5.62584388 -30.08743993 -5.18745405
-0.00079804 -0.00026157 0.00053716
-0.00191848 -0.01698744 0.01469684
4.03253814 -30.64586887 -2.81866404
0.00060849 0.00092440 0.00029557
-0.01108307 0.00685373 0.01105190
-12.64997794 -1.83743736 -13.29213434
-0.00023858 -0.00047134 0.00033300
0.00819118 0.00131042 0.00271341
-11.69444284 0.85286475 -12.35758226
-0.00020463 0.00049184 -0.00015865
-0.00434868 -0.02697723 -0.01050494
-37.99153694 4.05149396 2.63532423
0.00083736 0.00100236 0.00068230
-0.00178868 0.03809110 -0.01589483
-39.61786420 1.86339319 3.40086390
0.00031167 -0.00073042 0.00039048
0.00272991 -0.00449305 -0.00165780
-9.96760353 -3.49589196 0.86818695
-0.00084555 -0.00007991 0.00009888
-0.00430294 0.00611678 -0.00083061
-8.53540437 -3.47890826 3.48062731
0.00049022 -0.00036987 0.00045641
-0.01913073 0.01333237 -0.02213567
0.35962437 -0.69440107 7.18411492
0.00135560 0.00028393 0.00053459
0.01002361 0.00722026 0.01672468
1.87148790 1.18007949 8.92323300
-0.00009637 0.00029354 -0.00045394
-0.00134953 -0.00179044 -0.00079484
-32.56378263 0.86743139 2.12148454
-0.00115651 -0.00071787 -0.00092416
0.00119034 0.01735029 -0.00155067
-34.07126874 3.37580004 1.69651993
0.00075213 -0.00035138 -0.00076365
-0.01514380 0.00065303 0.00213538
12.77209286 13.00311109 -15.28544178
-0.00033669 0.00046427 0.00005439
-0.04651915 -0.03781530 -0.03123514
15.64243973 12.70476669 -14.59282923
0.00017692 -0.00008313 0.00069286
-0.03111102 0.01612256 -0.01550234
-3.94663257 8.80357218 4.37967310
-0.00010926 0.00005517 -0.00056416
-0.00609270 -0.00270409 0.01224929
-3.63174941 7.00306116 2.15477897
-0.00022667 -0.00018126 -0.00031843
-0.01905069 -0.01456983 0.04741208
6.12905855 15.76286322 -9.92234119
-0.00002469 0.00008295 0.00100133
0.00216069 -0.00011298 -0.01233311
7.63215409 17.00398545 -7.77297066
-0.00013104 0.00024152 0.00036344
-0.00065635 -0.00235212 -0.00409700
7.61272727 7.28721734 -22.57476928
-0.00011543 0.00035768 -0.00037115
0.01348045 -0.00259049 -0.02213177
7.80978732 8.31780611 -19.88989865
0.00000447 0.00138625 -0.00074503
0.00001837 -0.00296107 -0.00342936
21.61368538 17.66761391 -2.50435053
-0.00004837 -0.00076920 0.00017681
0.00569924 -0.00495572 0.00941149
24.41130012 17.79631076 -3.39889702
-0.00024411 0.00003042 -0.00064050
-0.00356499 0.00285759 0.00046081
1.11014995 11.11874445 -21.19043092
-0.00026300 0.00026413 0.00122953
0.00314997 0.01685498 0.00761128
0.63265417 13.81841445 -22.29522312
0.00018822 0.00026280 0.00013161
0.00854309 0.00218890 0.01109368
9.82412766 -5.36922358 -1.71187377
0.00012175 -0.00105429 -0.00013044
0.02218252 0.04485278 0.00233039
9.66956878 -2.78184532 -3.21887772
0.00117306 -0.00053344 -0.00097239
0.00473919 -0.00589638 0.02089710
-18.67703287 -4.27927917 5.30306534
0.00060479 -0.00043997 0.00017837
0.00978409 0.02127303 0.00184352
-17.30926995 -3.21731636 3.06229756
-0.00100034 -0.00032022 0.00016041
-0.00353812 0.00896568 0.00518205
-15.39968545 0.40861933 16.70477251
0.00009309 0.00041816 0.00006106
0.00152049 -0.00234453 0.01396786
-13.75461531 1.03249082 18.97744004
-0.00045939 -0.00010085 0.00023593
-0.00629788 0.00097578 0.00337475
3.11236131 3.98026567 -4.11213502
0.00009883 0.00017658 0.00089300
0.00270339 -0.00165793 0.00005913
3.29705178 1.17271979 -3.20277328
0.00037450 0.00120953 -0.00057133
0.00755270 0.00981885 -0.00421066
23.26367231 -9.68145345 -10.39009696
0.00086729 0.00043545 0.00006038
-0.00643975 0.01323396 0.00192797
24.90796175 -7.96877141 -8.68182672
0.00043566 -0.00013873 -0.00005252
0.01978122 0.00575309 0.01233061
2.40569538 -9.13893232 5.77026797
-0.00003142 -0.00050695 0.00007235
0.00013128 0.00251986 -0.01233418
2.20954810 -8.24217451 8.36440678
-0.00133225 0.00027212 0.00046993
0.01008880 0.00695626 0.02975819
-3.44671409 -2.71698671 -17.90285517
0.00053561 0.00037386 -0.00052225
-0.00300705 -0.03624417 0.00445519
-5.07345089 -0.45272378 -17.04746794
-0.00015670 -0.00049139 0.00015746
0.00205221 -0.00128167 0.00693449
1.97619689 4.78501727 -11.87350912
0.00058365 0.00018316 0.00068050
0.00560056 0.00668804 -0.02234335
1.75351902 4.20693775 -9.25408652
-0.00029237 0.00083565 0.00007609
0.01353608 -0.00740330 0.00710303
-0.95434978 16.22173709 13.32145698
-0.00039147 -0.00082298 0.00117958
-0.01792728 -0.00392542 0.01004404
-2.43518814 17.11271716 15.75108366
0.00049372 -0.00019432 0.00085885
0.00001533 -0.00102754 0.01487697
-1.91755559 1.18296294 -5.46409581
-0.00063273 0.00021764 0.00051795
-0.00394035 0.01577908 -0.01461310
-2.91652110 0.89175387 -8.11563265
-0.00071833 -0.00028939 0.00026582
-0.02167841 -0.03083877 -0.03853813
-8.21777572 -3.07103349 -4.56127086
-0.00082764 0.00006375 0.00101509
-0.03708802 -0.02240818 -0.00212381
-7.31870301 -0.43713147 -3.92601012
-0.00003375 -0.00051747 -0.00011833
-0.00801990 0.01998487 0.00445943
1.18061368 28.21615597 5.76496521
0.00052214 -0.00022278 -0.00060326
0.02697840 0.00239181 -0.01949154
-1.24810206 28.22461776 6.68546843
-0.00079708 -0.00068301 0.00004616
-0.06781817 -0.00127617 -0.01198857
8.32313479 -9.32918270 -2.02233164
-0.00025028 -0.00053617 0.00045597
0.01385022 0.00478760 -0.00296355
10.18956860 -9.85400464 0.11205037
0.00049923 0.00086113 -0.00034184
0.01034911 -0.00134618 0.01526643
-5.84051796 0.43562199 9.31881711
0.00058862 0.00014944 -0.00007426
-0.02520915 -0.00989344 -0.03408484
-8.55989533 -0.17644290 8.06320418
-0.00057792 -0.00011091 -0.00060905
0.00096952 -0.00442048 0.00787265
19.49806000 11.35093529 8.06825828
-0.00000292 0.00009059 0.00109517
0.01005321 -0.01270175 0.01185854
19.51487875 13.25297948 6.04203683
0.00040764 0.00035115 0.00111105
0.01125245 0.02224364 -0.01351483
-2.70194876 -2.28345809 -22.55558467
-0.00017670 0.00155059 -0.00060663
0.00207838 0.03297369 0.01382599
-4.86844050 -3.43869422 -24.26595287
0.00064350 0.00096698 0.00042842
0.00160995 0.01370818 -0.00050849
-12.46186029 9.14643259 9.63881178
0.00003254 -0.00014602 0.00018077
-0.00174187 -0.00112548 0.00317033
-12.95901886 8.87740160 6.83631900
0.00054540 0.00060616 0.00086438
-0.00331278 -0.00052651 0.00207298
-12.87580794 7.33891621 -4.62054732
-0.00069522 0.00031036 0.00021230
-0.00336136 0.00613912 -0.00526874
-11.75245403 9.12105060 -2.47582108
-0.00061366 0.00061587 -0.00000854
-0.00658852 -0.01510213 -0.00842279
-5.02617408 -17.37589579 19.76597586
-0.00023078 0.00043409 0.00019539
0.02528527 0.01965743 0.02508631
-2.15698414 -16.66553170 19.35961084
-0.00071971 0.00121796 0.00002778
0.00742067 0.00120007 -0.00045979
-3.46452685 5.38061788 -7.12716941
0.00063758 0.00040289 -0.00054163
0.00070358 0.00780970 -0.00064676
-4.00254033 8.34847247 -6.63328090
-0.00075061 -0.00139954 -0.00024115
-0.00549978 0.00992813 0.01216357
-21.14610935 28.02369199 0.65361732
-0.00013371 -0.00043476 0.00113395
-0.00128008 0.01487722 0.00747552
-18.74907894 29.64322158 1.13056025
0.00068997 0.00075181 -0.00126658
-0.03459378 0.00531222 0.00612063
8.40080344 2.71741544 6.50393317
-0.00098994 0.00010931 0.00022597
-0.02142190 -0.01998756 -0.02916492
9.31513729 4.67467207 8.10188694
0.00096552 -0.00115568 0.00028540
0.00174959 0.02856534 0.01556962
7.32802598 15.79153845 -14.21323365
0.00039543 0.00092405 0.00155912
-0.02028786 -0.03477151 0.03399873
7.03045452 12.96474807 -13.14189265
0.00117848 0.00185314 -0.00011815
0.01296697 -0.02542555 -0.00873308
13.11208796 5.06078404 -3.22723374
-0.00101612 0.00000006 0.00067785
-0.01507811 0.02169164 -0.00938085
13.08422189 2.95541672 -1.33255785
-0.00102800 -0.00097827 0.00027316
0.02268670 0.01282861 -0.00569369
-4.97199300 9.62185359 -0.43528119
0.00130339 -0.00024663 -0.00124661
-0.01112922 0.01014946 -0.00175385
-7.79263983 10.09035736 -0.43282540
0.00019375 -0.00070457 -0.00023633
-0.02117140 -0.00857049 0.00750689
4.66957746 13.14562089 2.11089097
0.00034238 0.00046859 -0.00055420
0.02026060 -0.00415346 0.00713782
7.57423773 12.31081668 2.68470255
-0.00074525 0.00093938 0.00057511
0.02795353 -0.02863340 -0.01303706
21.18752841 -12.99753892 -10.29303439
0.00030072 -0.00079591 0.00048440
-0.01113315 -0.00422467 0.00171223
22.55919518 -13.48052306 -12.76265867
0.00112726 0.00052447 -0.00009858
0.01057740 -0.02088291 -0.02315877
17.76642177 -5.94779593 1.88488069
-0.00145808 0.00033146 0.00003211
0.00133721 0.01439807 -0.00160219
16.39495768 -8.08563464 2.91925492
-0.00004703 -0.00021947 -0.00045225
-0.00424523 0.02249526 0.01833155
14.33208730 8.21750475 10.78805123
-0.00005577 0.00045643 -0.00030608
0.00818229 -0.01157059 -0.01568407
16.70554423 6.54675412 10.81323163
0.00008264 0.00002586 -0.00049425
-0.00301890 0.00252598 -0.00010197
1.56456958 -13.40758633 15.16759600
-0.00116722 -0.00001432 0.00133350
0.01398201 0.01106711 0.02024651
3.53000754 -12.36916244 17.37691870
-0.00070154 -0.00013048 -0.00052413
-0.00838669 0.01500442 -0.00512587
-3.46832926 -2.70981829 -9.87817990
-0.00001448 0.00057434 0.00021315
-0.00433913 0.00338929 -0.00291202
-1.95481302 -1.04502644 -11.72924033
0.00063370 -0.00112141 -0.00065581
0.00363539 0.00635361 -0.00281185
15.14547569 -7.82776295 -11.34896731
-0.00029536 -0.00083162 0.00133375
-0.01301853 -0.00075854 -0.00165694
16.98157067 -7.05443423 -9.27814967
0.00014960 -0.00022272 -0.00000436
0.01154643 0.00746361 0.01440550
7.49186634 -3.08668252 5.59906577
-0.00011353 -0.00060546 0.00003838
0.02636255 -0.01114343 0.00767299
10.37106123 -3.99131921 5.07256028
0.00109898 -0.00115477 0.00002165
0.00811846 0.00316396 -0.02275004
-21.02238487 0.97703480 22.83403614
0.00043407 -0.00021665 0.00086497
-0.00487357 0.00109230 0.00023638
-23.19790180 0.70968218 24.94325023
-0.00021089 0.00035948 -0.00087155
0.01722651 0.00752261 -0.00580928
25.74407368 -2.48742196 -7.93805916
0.00073063 0.00007211 0.00017479
0.01336817 -0.01595056 -0.00488862
23.66493483 -0.70635126 -7.33069322
-0.00003822 -0.00025758 -0.00026769
-0.00630548 0.00602321 0.00136033
11.12475852 -12.85997992 -8.72870574
-0.00084882 0.00077811 0.00014173
-0.01223603 -0.00523411 0.02157612
12.84603970 -10.50288045 -9.48416484
0.00099175 -0.00018694 0.00016514
0.01469370 0.01806099 0.01204507
-5.67250732 -10.38731408 18.20292573
0.00013748 -0.00014639 0.00013473
0.02098104 -0.00279071 -0.01160253
-6.01074262 -9.97368609 15.44826647
0.00066659 0.00009847 -0.00086946
-0.02536041 0.01481440 -0.03914647
9.21917953 1.21764392 -31.77235147
0.00019469 -0.00056773 -0.00015283
-0.00610425 -0.00642519 0.00350136
6.71745913 2.73613723 -31.93081613
0.00093439 0.00015706 -0.00112082
0.00541158 -0.00083854 0.00562453
11.39751054 17.82419226 13.09062160
-0.00008422 -0.00113914 -0.00003869
0.00267360 0.00847634 -0.00804297
11.91856772 15.38735358 14.51299433
-0.00001455 0.00024374 -0.00057746
-0.00549358 0.01815436 0.00061162
31.00013099 5.43531668 -7.85458349
0.00052194 0.00023082 0.00002975
-0.00583287 0.01196212 -0.00254394
28.88302623 7.36281489 -7.50475340
0.00117786 -0.00021165 -0.00042545
-0.04345403 0.00843721 -0.00213647
-8.39670700 4.82691163 5.65502005
0.00009423 -0.00005363 0.00003825
0.00804996 0.00429558 0.00072153
-10.73114731 10.13532810 3.36429076
0.00001040 -0.00004301 -0.00008151
-0.00752856 -0.00536324 0.00546733
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08355822
0.33333082
444.14661068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4030021433 (a.u.)
total exchange computation time: 2.8328738213 s
-154.2711394308
-931.41557010
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585755814
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4020427845 (a.u.)
total exchange computation time: 2.8332300186 s
-154.2793286969
Anderson extrapolation: theta=1.3404035888 (1.3404035888)
-931.41581619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4006215209 (a.u.)
total exchange computation time: 2.8025870323 s
-154.2910384216
Anderson extrapolation: theta=0.0467423602 (0.0467423602)
-931.41594614
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4004603312 (a.u.)
total exchange computation time: 2.7983889580 s
-154.2922507395
Anderson extrapolation: theta=1.9218936982 (1.9218936982)
-931.41595102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4001198224 (a.u.)
total exchange computation time: 2.7995040417 s
-154.2947791034
Anderson extrapolation: theta=0.2067883141 (0.2067883141)
-931.41595563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.4000386705 (a.u.)
total exchange computation time: 2.8020319939 s
-154.2953508957
Anderson extrapolation: theta=1.9420280858 (1.9420280858)
-931.41595637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3999027810 (a.u.)
total exchange computation time: 2.8009691238 s
-154.2962669812
Anderson extrapolation: theta=0.2767324642 (0.2767324642)
-931.41595716
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3998883676 (a.u.)
total exchange computation time: 2.8005211353 s
-154.2963214349
Anderson extrapolation: theta=1.3305227906 (1.3305227906)
-931.41595733
-167.231083 76.109115 -35.815575
566.768092 1066.384680 -418.430834
399.537009 1142.493795 -454.246409
1292.772870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3998877720 (a.u.)
total exchange computation time: 2.8003149033 s
679.16373940
-1084.76338619
89.86029765
-388.39502413
-174.88169635
78.84908603
551.60419304
0.00000000
-931.41595740
5.40329156 -31.32907768 -3.76377626
-0.00036073 -0.00016386 -0.00005900
0.00804661 0.01159223 -0.02570468
-11.87190267 -0.95416045 -11.82281115
0.00001752 0.00014456 0.00007209
0.00744943 0.02077666 0.00289654
-37.86742856 2.39055541 3.21899435
0.00001620 0.00016856 -0.00023999
-0.00445911 -0.02957600 0.01951426
-9.97622883 -2.67086719 2.51350287
-0.00045016 0.00027315 0.00016157
0.04412936 -0.01540607 0.03549826
0.87866160 -0.35085482 8.94159525
0.00015167 -0.00035049 -0.00009858
-0.00391207 -0.00440244 -0.01216702
-32.39701408 2.73305702 1.80396815
0.00000504 0.00002563 0.00001057
0.01853431 -0.03406247 0.00065557
14.08809071 13.83025142 -14.54921906
0.00032979 0.00025476 -0.00026159
0.07706279 0.01853281 0.04152746
-4.31281606 7.02619719 3.99559320
-0.00046149 -0.00013536 -0.00013092
0.02636713 0.00868224 -0.05461319
5.90301724 16.67280767 -8.33691087
0.00028635 -0.00017000 0.00022613
-0.00443126 0.00315898 0.02446457
6.72487614 7.30434524 -20.99909676
-0.00027774 0.00010072 0.00017492
-0.00808803 0.00200164 0.02125358
23.32997387 17.09729950 -2.08787711
-0.00014813 -0.00008064 0.00026513
0.01259415 0.00000670 -0.01510520
1.43091592 12.95055344 -20.86404467
0.00003889 -0.00006621 0.00012003
-0.00967171 -0.02032719 -0.01983086
10.45239359 -3.49756142 -1.67796700
0.00002646 0.00017182 -0.00017268
-0.03216478 -0.05616401 -0.03555714
-17.78226050 -2.69055620 4.76993124
0.00019722 -0.00008790 0.00006354
-0.00984598 -0.03754785 -0.00709777
-15.25006646 0.08325395 18.53011741
0.00022224 -0.00013337 -0.00021622
0.00884628 -0.00188243 -0.02062475
2.55460555 2.81419075 -2.82970879
-0.00054352 0.00011288 0.00021321
-0.01487149 -0.00109415 0.00515404
23.46980605 -7.93582131 -9.73464267
0.00007263 -0.00024978 -0.00027876
-0.00674383 -0.00876135 -0.00977848
1.57871719 -7.85757917 6.75510312
0.00033730 0.00014675 0.00016335
-0.01076027 0.00334826 -0.02706746
-3.55453938 -0.95651487 -17.97639562
0.00045047 0.00035605 0.00026724
0.00488962 0.03497804 -0.00821389
3.07425882 4.24625809 -10.53022699
-0.00047557 -0.00005203 0.00024263
-0.01289233 -0.00365502 0.01817557
-2.63889301 16.85053292 13.99130664
-0.00000346 0.00010382 -0.00009935
0.01649556 0.00281616 -0.01549618
-2.27093726 2.12426675 -7.03136670
0.00008546 0.00011354 0.00008897
0.02459781 0.01321320 0.05044443
-6.80072988 -2.03781387 -4.53266187
-0.00010857 0.00001853 -0.00015669
0.03909918 -0.00402945 -0.00386608
0.35417171 28.32216074 7.34874686
-0.00000128 0.00013680 0.00008643
0.03625876 -0.00538196 0.01477108
10.14023168 -9.14946701 -1.56212516
0.00020296 -0.00007880 -0.00019502
-0.02423580 0.00042402 -0.02183942
-6.93624865 0.56453230 7.70588393
-0.00022352 0.00037495 0.00031282
0.02106029 0.01019491 0.02232128
18.84538109 11.63951208 6.41000590
0.00019065 -0.00017901 0.00007817
-0.01711445 -0.00900890 0.00730629
-3.37248525 -3.76159869 -23.23590484
-0.00023880 0.00008371 -0.00000155
-0.00381018 -0.03169831 -0.00808121
-13.64366595 8.34962615 8.47830312
-0.00001476 0.00005099 0.00023007
0.00610716 0.00168505 -0.00687273
-12.25499234 7.35727606 -2.87907322
-0.00026958 -0.00031756 -0.00042437
0.01550112 0.01927737 0.02502925
-3.50558899 -16.42720833 20.54716094
-0.00036072 -0.00032900 0.00005263
-0.03403769 -0.01281406 -0.01172643
-3.56327313 7.08753924 -7.84422382
-0.00048888 0.00041309 0.00016950
0.01388115 -0.01931398 -0.02729942
-20.68763681 29.70681266 1.31872989
0.00000032 0.00023340 -0.00003652
0.04039802 -0.01991072 -0.00992670
9.87943475 3.10834499 7.41730665
0.00005022 0.00007925 -0.00008876
0.01549020 -0.00583600 0.00451301
6.39698660 14.60406294 -12.91204762
0.00011628 0.00008122 0.00035129
0.01162439 0.06682216 -0.02379013
14.15217143 3.68841264 -2.73271702
0.00017293 -0.00030189 0.00006793
-0.01244861 -0.03034126 0.01476908
-6.24527209 10.97311344 -0.33281631
0.00011450 -0.00012745 0.00012510
0.03998449 -0.00403140 -0.01149692
6.24493405 13.34723017 3.13535187
0.00026509 0.00031377 0.00004086
-0.06222025 0.04425497 0.01310983
21.84716532 -12.16661886 -11.78045775
-0.00013362 0.00016891 -0.00017895
-0.00968263 0.01802496 0.03155407
16.80788788 -6.29985541 3.40449604
0.00036060 0.00011077 -0.00009386
-0.00299586 -0.03659551 -0.01768811
15.36389478 7.07549737 9.68279731
0.00017216 -0.00033308 -0.00034022
-0.01285332 0.01059950 0.01314610
3.00654874 -13.71325020 16.27278623
0.00000015 0.00011197 -0.00038892
-0.00284094 -0.02996326 -0.01672857
-3.58519413 -1.13463382 -10.87049899
-0.00013125 -0.00036994 -0.00003428
0.00484213 0.00214537 0.00395634
15.34645030 -7.82169243 -9.51638044
-0.00007069 0.00020944 -0.00022683
-0.01149315 -0.00786266 -0.00054953
9.17262312 -3.68406533 6.36182035
0.00035992 -0.00044475 0.00005509
-0.05012521 0.00400452 0.02076413
-21.60113423 1.58150709 24.44755456
-0.00023872 -0.00005880 -0.00014023
-0.01057519 -0.00065239 0.01304665
24.90268655 -1.74846832 -6.51931898
-0.00006142 0.00000231 -0.00013758
-0.00714568 0.00571310 0.00201991
11.86424471 -11.88200151 -10.03385594
0.00028088 -0.00019491 -0.00017939
-0.00122316 -0.01172671 -0.03060930
-4.72708157 -10.40707594 16.56205234
0.00015038 -0.00033758 0.00006381
0.00661151 -0.01596165 0.05612852
8.22045165 2.49377396 -30.88785096
0.00000528 0.00035616 -0.00046520
-0.00603760 -0.00414181 -0.00160361
10.96977862 16.97698386 14.63081194
0.00019557 -0.00029128 -0.00024393
0.00365157 -0.01546028 0.01233185
30.63417068 7.25489455 -7.46757419
-0.00018324 -0.00012646 0.00035124
0.05882886 -0.01780698 -0.00242482
5.61381447 -30.09188404 -5.17894631
-0.00080325 -0.00032720 0.00059110
-0.00063192 -0.01514007 0.01170829
4.04132583 -30.63179284 -2.81389181
0.00056145 0.00095180 0.00034290
-0.01194373 0.00656006 0.01211431
-12.65330568 -1.84446731 -13.28705621
-0.00020397 -0.00046416 0.00034512
0.00875173 0.00220238 0.00322129
-11.69764554 0.85941570 -12.36028386
-0.00022266 0.00037775 -0.00020134
-0.00447626 -0.02887057 -0.01039329
-37.97903135 4.06769664 2.64507170
0.00082795 0.00114861 0.00062100
-0.00281718 0.03349631 -0.01411429
-39.61310552 1.85229925 3.40667029
0.00032364 -0.00074534 0.00038237
0.00313285 -0.00281038 -0.00231295
-9.98041859 -3.49690314 0.86964471
-0.00086254 -0.00005366 0.00009785
-0.00401696 0.00673054 0.00032379
-8.52863725 -3.48404773 3.48679515
0.00040336 -0.00031029 0.00035978
-0.02338837 0.01583063 -0.02516563
0.38026557 -0.68992090 7.19264631
0.00139091 0.00030862 0.00058853
0.00725716 0.00486593 0.00967650
1.87000106 1.18442775 8.91639948
-0.00010524 0.00028120 -0.00045473
-0.00299518 -0.00425191 0.00040856
-32.58109375 0.85719496 2.10757468
-0.00114859 -0.00064017 -0.00093025
0.00268411 0.02068625 -0.00143098
-34.06045085 3.37054933 1.68513056
0.00067744 -0.00034218 -0.00075580
-0.02141942 0.00385050 0.00170810
12.76561707 13.00891629 -15.28558308
-0.00051924 0.00031351 -0.00006914
-0.04284378 -0.03597911 -0.02923179
15.64414015 12.70401374 -14.58291139
0.00004926 -0.00001767 0.00062808
-0.03137589 0.01592190 -0.01620829
-3.94845818 8.80431691 4.37158602
-0.00013480 0.00004197 -0.00051380
-0.00640891 -0.00376004 0.01240347
-3.63573322 6.99989573 2.15145539
-0.00030547 -0.00024109 -0.00012348
-0.01952297 -0.01471516 0.04801609
6.12875444 15.76410404 -9.90769917
-0.00001397 0.00007684 0.00094119
0.00308446 -0.00287835 -0.01710510
7.63016843 17.00753621 -7.76764468
-0.00013051 0.00023195 0.00034737
0.00091393 -0.00233329 -0.00376553
7.61140888 7.29250318 -22.58101475
-0.00006547 0.00034611 -0.00045388
0.01097513 -0.00307453 -0.01836253
7.80985500 8.33850907 -19.90117921
0.00000205 0.00137158 -0.00075968
-0.00120297 -0.00421714 -0.00374098
21.61313455 17.65592409 -2.50140993
-0.00002891 -0.00078774 0.00021459
0.00382327 -0.00411972 0.00908019
24.40752918 17.79685457 -3.40849033
-0.00026407 0.00003885 -0.00063181
-0.00620576 0.00127121 0.00378841
1.10630148 11.12322295 -21.17175469
-0.00025148 0.00032787 0.00125805
0.00248710 0.01434556 0.00634716
0.63573931 13.82242355 -22.29290898
0.00022319 0.00026995 0.00017750
0.00857270 0.00130872 0.01136806
9.82663363 -5.38366353 -1.71375897
0.00021472 -0.00086266 -0.00012111
0.02332771 0.04895296 0.00223489
9.68730988 -2.79002766 -3.23282316
0.00119117 -0.00055698 -0.00088801
0.00412882 -0.00562690 0.02040686
-18.66766117 -4.28522683 5.30579741
0.00064442 -0.00035196 0.00018697
0.00961231 0.02181027 0.00236417
-17.32438347 -3.22184486 3.06486250
-0.00101238 -0.00028385 0.00017644
-0.00235533 0.00883493 0.00266423
-15.39824247 0.41481992 16.70611643
0.00009924 0.00040893 0.00011556
0.00148723 -0.00217319 0.01270892
-13.76169919 1.03100801 18.98108245
-0.00047945 -0.00009351 0.00025126
-0.00352073 0.00261614 0.00413001
3.11392654 3.98286354 -4.09873821
0.00011012 0.00017426 0.00089095
0.00282664 0.00052349 -0.00106256
3.30290068 1.19116358 -3.21147224
0.00040707 0.00124168 -0.00058791
0.00839410 0.00592018 -0.00390563
23.27648430 -9.67451622 -10.38913219
0.00083883 0.00047927 0.00006467
-0.00749259 0.00821975 0.00017221
24.91510288 -7.97067611 -8.68223661
0.00050957 -0.00011457 -0.00000714
0.01639655 0.00607299 0.00988112
2.40522807 -9.14645939 5.77097520
-0.00003293 -0.00049260 0.00002701
-0.00086763 0.00450460 -0.00985955
2.18987354 -8.23787963 8.37236757
-0.00128905 0.00029818 0.00059526
0.01105886 0.00580373 0.03159226
-3.43877212 -2.71248950 -17.91055241
0.00052390 0.00022598 -0.00050469
-0.00272581 -0.03614348 0.00413936
-5.07573854 -0.46013386 -17.04489351
-0.00014581 -0.00049643 0.00018431
0.00327894 -0.00118821 0.00620927
1.98512325 4.78796960 -11.86398631
0.00059829 0.00021455 0.00057875
0.00156765 0.00867581 -0.02746271
1.74954830 4.21924561 -9.25272758
-0.00023964 0.00080486 0.00010789
0.01227305 -0.00766925 0.00846794
-0.96077114 16.20927218 13.33945847
-0.00046069 -0.00083951 0.00121614
-0.01595674 -0.00416658 0.00785038
-2.42778190 17.10977093 15.76442234
0.00049028 -0.00020062 0.00090321
-0.00169850 -0.00205707 0.00683455
-1.92716730 1.18671111 -5.45677429
-0.00064867 0.00028317 0.00045658
-0.00386076 0.01629639 -0.01542901
-2.92796031 0.88646805 -8.11282626
-0.00080293 -0.00040775 0.00011485
-0.01973510 -0.02709809 -0.03536247
-8.23132678 -3.07076384 -4.54610964
-0.00096848 -0.00002160 0.00100703
-0.03185528 -0.01937201 -0.00181897
-7.31945497 -0.44428117 -3.92764838
-0.00006800 -0.00042748 -0.00009734
-0.00874777 0.02406506 0.00581624
1.18927242 28.21288758 5.75531903
0.00062249 -0.00021183 -0.00066887
0.02214331 0.00296661 -0.01262267
-1.26213642 28.21433354 6.68579350
-0.00105487 -0.00068724 0.00000302
-0.05836965 -0.00079809 -0.00912876
8.31980499 -9.33707859 -2.01558297
-0.00019008 -0.00051568 0.00044373
0.01561877 0.00524423 -0.00302365
10.19737425 -9.84112897 0.10739056
0.00054230 0.00085271 -0.00027190
0.01073277 -0.00277247 0.01896865
-5.83246107 0.43756038 9.31665870
0.00048268 0.00010830 -0.00021303
-0.02665167 -0.01024258 -0.03384339
-8.56853447 -0.17824195 8.05430960
-0.00056821 -0.00012691 -0.00057592
0.00378516 -0.00341198 0.00834648
19.49832426 11.35190492 8.08504924
0.00003326 0.00003935 0.00113140
0.00765941 -0.01237831 0.00587659
19.52133818 13.25892831 6.05828842
0.00045078 0.00043590 0.00105635
0.00986231 0.01924495 -0.01325827
-2.70453553 -2.25918883 -22.56426052
-0.00017419 0.00166673 -0.00055757
-0.00085342 0.02387605 0.01019279
-4.85873862 -3.42376951 -24.25954214
0.00064013 0.00102223 0.00041916
-0.00325894 0.01333765 -0.00402264
-12.46142564 9.14420775 9.64162053
0.00002545 -0.00015048 0.00019549
-0.00172591 -0.00105563 0.00403597
-12.95093933 8.88647782 6.84934829
0.00053168 0.00060372 0.00086916
-0.00340640 -0.00066400 0.00026652
-12.88633925 7.34375980 -4.61752430
-0.00071076 0.00033457 0.00018500
-0.00424609 0.00570790 -0.00809489
-11.76186081 9.12982594 -2.47620720
-0.00064260 0.00054398 -0.00004492
-0.00757993 -0.02009100 -0.00938879
-5.02886096 -17.36878210 19.76967536
-0.00013117 0.00051096 0.00029519
0.02347377 0.01797113 0.02376983
-2.16755238 -16.64722560 19.36001351
-0.00068438 0.00122157 0.00002089
0.00987095 0.00057047 -0.00291319
-3.45494157 5.38690051 -7.13531367
0.00064003 0.00043134 -0.00054322
0.00049734 0.00611743 -0.00013131
-4.01396808 8.32778356 -6.63652540
-0.00077886 -0.00134215 -0.00017542
-0.00832900 0.01816401 0.02001220
-21.14815418 28.01762642 0.67085570
-0.00013761 -0.00037156 0.00116491
-0.00063241 0.01606203 0.00767638
-18.73978943 29.65466145 1.11174913
0.00054210 0.00077245 -0.00123972
-0.03779183 0.00479104 0.00702765
8.38529786 2.71844255 6.50642900
-0.00106623 0.00003123 0.00011356
-0.01591890 -0.01823061 -0.02585957
9.32967377 4.65821227 8.10664507
0.00096668 -0.00102207 0.00035644
-0.00118645 0.03683343 0.01920234
7.33333568 15.80433372 -14.18880495
0.00031260 0.00078320 0.00169558
-0.02025453 -0.03417480 0.03279625
7.04852909 12.99176600 -13.14393251
0.00123950 0.00172825 -0.00015615
0.01690190 -0.03570751 -0.00986767
13.09638417 5.06144966 -3.21735346
-0.00106931 0.00007870 0.00064269
-0.01096210 0.01680099 -0.00783132
13.06949702 2.94113584 -1.32863495
-0.00092777 -0.00092200 0.00024291
0.02637997 0.01471337 -0.00911224
-4.95278314 9.61846517 -0.45403410
0.00124825 -0.00019682 -0.00125241
-0.01586413 0.01423054 -0.00108530
-7.79038230 10.07952620 -0.43614038
0.00011214 -0.00073806 -0.00020546
-0.01877854 -0.00782457 0.00760561
4.67533403 13.15252241 2.10279675
0.00042670 0.00045189 -0.00052253
0.02101589 -0.00401783 0.00836229
7.56391551 12.32402993 2.69292973
-0.00061076 0.00080695 0.00051532
0.03788201 -0.03619305 -0.01623276
21.19169806 -13.00960709 -10.28571599
0.00025987 -0.00080714 0.00048077
-0.00886108 -0.00127291 -0.00348911
22.57642826 -13.47329588 -12.76484706
0.00116811 0.00044224 -0.00019078
0.00941688 -0.01937231 -0.02197379
17.74459152 -5.94238284 1.88531317
-0.00144401 0.00039376 0.00001318
0.00554844 0.01609952 -0.00766187
16.39412215 -8.08823742 2.91303292
-0.00006276 -0.00012287 -0.00037519
-0.00345593 0.02479154 0.01939025
14.33150149 8.22399666 10.78297936
-0.00001867 0.00040431 -0.00037365
0.00997891 -0.01394473 -0.01738803
16.70669135 6.54721946 10.80581470
0.00007302 0.00003502 -0.00049219
-0.00168908 0.00195726 0.00111084
1.54748974 -13.40746194 15.18821892
-0.00111184 0.00003019 0.00141396
0.01312845 0.01071943 0.01913865
3.51922752 -12.37065987 17.36889970
-0.00073335 -0.00006457 -0.00053942
-0.00718597 0.01725763 -0.00235687
-3.46867944 -2.70109930 -9.87507187
-0.00003237 0.00058096 0.00020524
-0.00441982 -0.00014909 -0.00095860
-1.94519605 -1.06165282 -11.73916364
0.00063719 -0.00109500 -0.00066119
-0.00193077 0.00657205 0.00017779
15.14064639 -7.84026051 -11.32901177
-0.00034946 -0.00083370 0.00130491
-0.01346479 -0.00026037 -0.01246409
16.98416844 -7.05754638 -9.27777371
0.00019581 -0.00019219 0.00005338
0.01107579 0.00748422 0.01386120
7.49097126 -3.09610588 5.59987658
-0.00000253 -0.00065178 0.00006948
0.02797058 -0.01152999 0.00755075
10.38779473 -4.00854375 5.07218784
0.00112309 -0.00113925 -0.00006336
0.00368323 0.00443318 -0.01885950
-21.01602310 0.97381858 22.84701794
0.00041771 -0.00021547 0.00085654
-0.00313836 -0.00051528 -0.00436307
-23.20053723 0.71530487 24.92999896
-0.00014467 0.00038786 -0.00089299
0.01518486 0.00636872 -0.00468668
25.75544271 -2.48682909 -7.93558710
0.00078354 0.00000836 0.00015631
0.01253462 -0.01525767 -0.00415998
23.66416834 -0.71003044 -7.33466686
-0.00006480 -0.00023237 -0.00026328
-0.00670790 0.00632049 0.00079503
11.11165132 -12.84846869 -8.72591860
-0.00089740 0.00075815 0.00022702
-0.01154685 -0.00453610 0.02017447
12.86136615 -10.50513105 -9.48131869
0.00104608 -0.00012057 0.00021126
0.01190353 0.01442420 0.01053419
-5.66980220 -10.38959551 18.20459122
0.00022202 -0.00015724 0.00008542
0.02040280 -0.00252049 -0.01253517
-6.00152095 -9.97175512 15.43402501
0.00056869 0.00015710 -0.00102248
-0.02255970 0.01388496 -0.03575796
9.22191283 1.20893114 -31.77453658
0.00016611 -0.00058884 -0.00013458
-0.00788582 -0.00391085 0.00543102
6.73164085 2.73846740 -31.94745602
0.00095107 0.00015494 -0.00110033
0.00275133 -0.00019686 0.00440274
11.39632924 17.80736487 13.08979476
-0.00007148 -0.00109815 -0.00008016
0.00356110 0.01158869 -0.01225518
11.91818109 15.39156599 14.50435117
-0.00003327 0.00031003 -0.00057372
-0.00366880 0.01429426 0.00122030
31.00778135 5.43914546 -7.85421527
0.00049780 0.00027806 0.00001922
-0.00598480 0.01116298 -0.00260931
28.89936249 7.35989864 -7.51120062
0.00097432 -0.00017593 -0.00043573
-0.05617984 0.00905179 -0.00289694
-8.39527190 4.82611865 5.65559566
0.00009712 -0.00005211 0.00003849
0.00806141 0.00424397 0.00065108
-10.73100437 10.13467358 3.36307761
0.00000864 -0.00004424 -0.00008026
-0.00764356 -0.00523786 0.00533918
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08356745
0.33238994
442.89293422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4007166496 (a.u.)
total exchange computation time: 2.8013389111 s
-154.2640435498
-931.41443076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3997423849 (a.u.)
total exchange computation time: 2.8046960831 s
-154.2723115592
Anderson extrapolation: theta=1.3414524150 (1.3414524150)
-931.41467729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3983140560 (a.u.)
total exchange computation time: 2.8012990952 s
-154.2841493872
Anderson extrapolation: theta=0.0494232141 (0.0494232141)
-931.41482165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3981481620 (a.u.)
total exchange computation time: 2.8005559444 s
-154.2853940075
Anderson extrapolation: theta=1.8782439095 (1.8782439095)
-931.41482646
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3978061527 (a.u.)
total exchange computation time: 2.8011529446 s
-154.2879258040
Anderson extrapolation: theta=0.2120266323 (0.2120266323)
-931.41483083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3977227923 (a.u.)
total exchange computation time: 2.7994921207 s
-154.2885111734
Anderson extrapolation: theta=1.9013663284 (1.9013663284)
-931.41483154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3975848856 (a.u.)
total exchange computation time: 2.7994320393 s
-154.2894382251
Anderson extrapolation: theta=0.2841204177 (0.2841204177)
-931.41483225
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3975681079 (a.u.)
total exchange computation time: 2.8031058311 s
-154.2895083371
Anderson extrapolation: theta=1.3073470474 (1.3073470474)
-931.41483241
-167.200860 76.092968 -35.792967
566.790635 1066.408264 -418.398277
399.589775 1142.501232 -454.191244
1292.776369
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3975644771 (a.u.)
total exchange computation time: 2.7989969254 s
679.12083444
-1084.69076778
89.87245552
-388.44424738
-174.87554278
78.81045722
551.60419304
0.00000000
-931.41483245
5.39791159 -31.33149092 -3.76476036
-0.00035684 -0.00015836 -0.00007141
0.00709981 0.00981689 -0.02256798
-11.87161120 -0.95191191 -11.82171869
0.00002123 0.00015536 0.00007338
0.00697974 0.02121818 0.00214542
-37.86720276 2.39296973 3.21546972
0.00001409 0.00015449 -0.00023033
-0.00372618 -0.02515263 0.01808204
-9.98281101 -2.66682939 2.51606338
-0.00042664 0.00026452 0.00018003
0.04734842 -0.01815652 0.03629457
0.88092160 -0.35612921 8.94006965
0.00015074 -0.00035156 -0.00010313
0.00029472 0.00024141 -0.00553545
-32.39686693 2.73331010 1.80412918
0.00001561 0.00000663 0.00001099
0.02255077 -0.03984709 0.00100964
14.09333480 13.83414428 -14.55298278
0.00036767 0.00026357 -0.00024097
0.07025655 0.01575030 0.03867696
-4.31963666 7.02420023 3.99341869
-0.00044783 -0.00013063 -0.00015890
0.02672586 0.00972446 -0.05418063
5.90729542 16.67026983 -8.33342453
0.00028338 -0.00016770 0.00023977
-0.00711855 0.00579790 0.02858753
6.72067879 7.30586378 -20.99639092
-0.00028081 0.00010216 0.00018480
-0.00383285 0.00359128 0.01713729
23.32780050 17.09608995 -2.08395839
-0.00014049 -0.00008044 0.00025666
0.01709828 0.00077285 -0.01783277
1.43146197 12.94948184 -20.86232066
0.00003421 -0.00007567 0.00011015
-0.00852264 -0.01645740 -0.01860238
10.45266646 -3.49520072 -1.68069438
0.00000997 0.00014199 -0.00019069
-0.03198312 -0.05983053 -0.03446896
-17.77934014 -2.69201950 4.77085699
0.00019200 -0.00010718 0.00006047
-0.01047674 -0.03741765 -0.00486084
-15.24669868 0.08124608 18.52679451
0.00022602 -0.00013477 -0.00022664
0.00582785 -0.00355854 -0.01988022
2.54639539 2.81587970 -2.82649080
-0.00055138 0.00011269 0.00021604
-0.01568849 0.00036079 0.00585747
23.47086942 -7.93960176 -9.73886182
0.00007040 -0.00025297 -0.00028245
-0.00191835 -0.00364952 -0.00455755
1.58373523 -7.85536500 6.75744898
0.00033191 0.00014820 0.00014866
-0.01021319 0.00230539 -0.03007091
-3.54776343 -0.95103915 -17.97241871
0.00045253 0.00037359 0.00026332
0.00312819 0.03323487 -0.00702901
3.06707547 4.24546354 -10.52651746
-0.00048086 -0.00005435 0.00025279
-0.00764653 -0.00537489 0.02134861
-2.63888136 16.85210112 13.98975656
0.00000483 0.00010556 -0.00010468
0.01577231 0.00395075 -0.00522939
-2.26956047 2.12602081 -7.02983750
0.00009740 0.00011906 0.00011381
0.02181594 0.00825987 0.04612074
-6.80220755 -2.03755140 -4.53502708
-0.00008995 0.00001470 -0.00015899
0.03327759 -0.01086763 -0.00509601
0.35429233 28.32419197 7.35010026
0.00001581 0.00013371 0.00009131
0.03020759 -0.00662313 0.00419457
10.14318261 -9.15064736 -1.56513474
0.00018999 -0.00007836 -0.00020701
-0.02620980 0.00126973 -0.02479221
-6.93952015 0.57019586 7.71066230
-0.00021317 0.00037994 0.00032394
0.01915780 0.00921371 0.02094263
18.84817485 11.63679221 6.41120665
0.00018291 -0.00018279 0.00008331
-0.01299704 -0.00569065 0.01267774
-3.37608188 -3.76046529 -23.23595932
-0.00023873 0.00006989 -0.00000388
0.00407051 -0.02206481 -0.00097785
-13.64386385 8.35039750 8.48172771
-0.00001164 0.00005186 0.00022675
0.00602812 0.00169076 -0.00603492
-12.25897624 7.35258700 -2.88534215
-0.00026113 -0.00030644 -0.00041045
0.01733703 0.02397091 0.02906657
-3.51113103 -16.43219272 20.54790511
-0.00037807 -0.00033490 0.00004759
-0.03346355 -0.01014083 -0.00785488
-3.57055276 7.09366112 -7.84178663
-0.00048088 0.00040147 0.00015334
0.01723140 -0.02587814 -0.03555762
-20.68747624 29.71023688 1.31814380
0.00002155 0.00022304 -0.00004180
0.04218411 -0.02038759 -0.01061089
9.88024783 3.10951128 7.41599273
0.00005728 0.00007380 -0.00008828
0.01195003 -0.01538681 -0.00265003
6.39877563 14.60553899 -12.90687007
0.00012125 0.00011750 0.00033971
0.00769209 0.07425852 -0.02124836
14.15471731 3.68376726 -2.73164117
0.00016454 -0.00031648 0.00007581
-0.02017952 -0.02639147 0.01589619
-6.24340031 10.97118620 -0.33098421
0.00013536 -0.00013075 0.00011897
0.04112839 -0.00882138 -0.01232608
6.24867039 13.35210739 3.13601534
0.00023087 0.00033811 0.00004801
-0.07085171 0.05040199 0.01470047
21.84512368 -12.16401562 -11.78302026
-0.00013876 0.00017683 -0.00016196
-0.01032226 0.01274184 0.03452500
16.81328537 -6.29833497 3.40301989
0.00035786 0.00009114 -0.00010158
-0.00765778 -0.03973625 -0.01233317
15.36642757 7.07054212 9.67774467
0.00016478 -0.00032698 -0.00033343
-0.01584939 0.01310013 0.01325744
3.00654008 -13.71168627 16.26688788
-0.00000135 0.00009618 -0.00039780
-0.00300304 -0.03141839 -0.01778956
-3.58714427 -1.14017459 -10.87099795
-0.00012739 -0.00036786 -0.00003355
0.01019426 0.00592892 -0.00110631
15.34534567 -7.81858109 -9.51978497
-0.00007611 0.00020543 -0.00022405
-0.00959605 -0.00775937 0.01133331
9.17782851 -3.69072117 6.36272687
0.00033502 -0.00044294 0.00006485
-0.04669414 0.00304281 0.01715420
-21.60475585 1.58062252 24.44550137
-0.00024394 -0.00005835 -0.00013267
-0.00969871 0.00240127 0.01635253
24.90173774 -1.74841162 -6.52137484
-0.00006476 0.00000494 -0.00013667
-0.00584356 0.00452439 0.00148727
11.86845321 -11.88497036 -10.03666484
0.00028083 -0.00020020 -0.00019409
0.00100733 -0.00885667 -0.02657183
-4.72480041 -10.41220116 16.56322605
0.00015291 -0.00034539 0.00009159
0.00325633 -0.01442852 0.05188520
8.22050761 2.49910041 -30.89483521
0.00000334 0.00035318 -0.00046612
-0.00150877 -0.00744925 -0.00195985
10.97272622 16.97255506 14.62720063
0.00019672 -0.00029884 -0.00023671
0.00084096 -0.01393978 0.01572205
30.63164907 7.25292898 -7.46231499
-0.00015029 -0.00013538 0.00035011
0.06929233 -0.01688997 -0.00194444
5.60174632 -30.09725603 -5.16972101
-0.00080313 -0.00038436 0.00063182
0.00069247 -0.01283879 0.00822402
4.04938152 -30.61731477 -2.80837715
0.00051219 0.00097740 0.00039366
-0.01216564 0.00597053 0.01273713
-12.65609707 -1.85136229 -13.28178066
-0.00016722 -0.00045357 0.00035917
0.00923828 0.00298558 0.00365583
-11.70112257 0.86419729 -12.36362243
-0.00024104 0.00025735 -0.00024375
-0.00452006 -0.03006492 -0.01036668
-37.96669842 4.08595218 2.65395417
0.00081442 0.00127331 0.00056769
-0.00380592 0.02754789 -0.01198009
-39.60815485 1.84103306 3.41233492
0.00033706 -0.00075345 0.00037167
0.00343369 -0.00116006 -0.00292490
-9.99347983 -3.49750184 0.87112232
-0.00087838 -0.00002487 0.00010152
-0.00373608 0.00736147 0.00147527
-8.52330351 -3.48821701 3.49142069
0.00030102 -0.00024152 0.00025218
-0.02671079 0.01783440 -0.02750578
0.40135154 -0.68514252 7.20177074
0.00141465 0.00032338 0.00061202
0.00436561 0.00236056 0.00182355
1.86833065 1.18851543 8.90959099
-0.00012057 0.00025912 -0.00045050
-0.00450944 -0.00655348 0.00166561
-32.59824038 0.84822632 2.09357713
-0.00113461 -0.00054994 -0.00093553
0.00416227 0.02348147 -0.00115683
-34.05094568 3.36553460 1.67384586
0.00057851 -0.00032046 -0.00074975
-0.02700696 0.00678240 0.00125338
12.75651554 13.01251647 -15.28751588
-0.00068177 0.00017338 -0.00018178
-0.03671357 -0.03261503 -0.02590850
15.64391767 12.70423658 -14.57398689
-0.00007792 0.00004599 0.00056058
-0.03088092 0.01524140 -0.01683343
-3.95067656 8.80483120 4.36425911
-0.00016156 0.00002464 -0.00046287
-0.00669159 -0.00471986 0.01252473
-3.64091352 6.99582846 2.15107453
-0.00038540 -0.00030136 0.00007185
-0.01960550 -0.01478794 0.04760172
6.12863936 15.76516845 -9.89410545
0.00000040 0.00005975 0.00086215
0.00394880 -0.00548627 -0.02158462
7.62823879 17.01094397 -7.76254947
-0.00012350 0.00022250 0.00033275
0.00251976 -0.00229101 -0.00339192
7.61076311 7.29760059 -22.58838559
-0.00002624 0.00033252 -0.00052014
0.00822939 -0.00357844 -0.01407502
7.80984894 8.35895358 -19.91268905
-0.00000527 0.00135177 -0.00077548
-0.00238386 -0.00548333 -0.00399156
21.61281803 17.64398179 -2.49791285
-0.00001747 -0.00080277 0.00025091
0.00177702 -0.00323752 0.00869765
24.40337791 17.79747629 -3.41785146
-0.00029432 0.00004112 -0.00061002
-0.00860250 -0.00016093 0.00688038
1.10260543 11.12858064 -21.15268946
-0.00024295 0.00038044 0.00128129
0.00168850 0.01138727 0.00502826
0.63934985 13.82651286 -22.28989814
0.00025789 0.00027377 0.00022394
0.00841325 0.00056267 0.01136551
9.83056927 -5.39510334 -1.71550721
0.00031144 -0.00065665 -0.00011225
0.02401638 0.05188860 0.00210338
9.70530401 -2.79855484 -3.24551794
0.00120641 -0.00057900 -0.00080652
0.00332901 -0.00515170 0.01948080
-18.65770037 -4.28983782 5.30867437
0.00068279 -0.00026279 0.00019794
0.00917363 0.02183757 0.00300711
-17.33964133 -3.22583190 3.06759071
-0.00101963 -0.00024821 0.00018187
-0.00119261 0.00861143 -0.00000314
-15.39670834 0.42088733 16.70823924
0.00010517 0.00040057 0.00016406
0.00141546 -0.00192129 0.01103267
-13.76899884 1.02968553 18.98497797
-0.00048809 -0.00007937 0.00026976
-0.00070974 0.00430327 0.00492434
3.11566499 3.98549350 -4.08540652
0.00012180 0.00018081 0.00088455
0.00288740 0.00268435 -0.00207061
3.30926402 1.20997019 -3.22041056
0.00044309 0.00125794 -0.00060326
0.00923401 0.00203908 -0.00360656
23.28883710 -9.66707524 -10.38815687
0.00080617 0.00050162 0.00006151
-0.00849433 0.00272091 -0.00171972
24.92324889 -7.97220861 -8.68204092
0.00056863 -0.00008917 0.00002748
0.01251255 0.00636356 0.00706347
2.40470758 -9.15371039 5.77107818
-0.00003845 -0.00047016 -0.00000809
-0.00183626 0.00648197 -0.00731936
2.17087675 -8.23322905 8.38226453
-0.00124302 0.00032009 0.00072516
0.01147253 0.00492016 0.03199478
-3.43099722 -2.71020738 -17.91799597
0.00051310 0.00008185 -0.00048850
-0.00256039 -0.03440841 0.00378611
-5.07782524 -0.46761677 -17.04193854
-0.00012982 -0.00050110 0.00020812
0.00454927 -0.00109629 0.00544643
1.99414570 4.79145364 -11.85614659
0.00059704 0.00025382 0.00045708
-0.00218300 0.01054743 -0.03209676
1.74632974 4.23108345 -9.25084967
-0.00019243 0.00077312 0.00014522
0.01083702 -0.00786483 0.00980048
-0.96817043 16.19655190 13.35794109
-0.00052114 -0.00085733 0.00124352
-0.01363400 -0.00455761 0.00555580
-2.42047977 17.10669863 15.77817989
0.00047978 -0.00021091 0.00091503
-0.00344113 -0.00297973 -0.00104711
-1.93701563 1.19145802 -5.45039835
-0.00066404 0.00034999 0.00039306
-0.00366184 0.01641296 -0.01566573
-2.94060900 0.87952148 -8.11218710
-0.00087804 -0.00050826 -0.00002096
-0.01703091 -0.02210641 -0.03111732
-8.24683012 -3.07168143 -4.53105990
-0.00108550 -0.00009282 0.00100000
-0.02542752 -0.01549077 -0.00162144
-7.32074305 -0.44995601 -3.92893017
-0.00010473 -0.00032256 -0.00007145
-0.00923184 0.02729812 0.00685404
1.19928824 28.20980100 5.74489924
0.00070246 -0.00019846 -0.00070596
0.01700502 0.00357764 -0.00553539
-1.27974803 28.20400041 6.68555910
-0.00127004 -0.00068900 -0.00002729
-0.04695846 -0.00006133 -0.00571067
8.31743240 -9.34465308 -2.00901960
-0.00012347 -0.00049343 0.00043118
0.01698600 0.00564696 -0.00312195
10.20583767 -9.82842322 0.10389326
0.00058683 0.00083907 -0.00018823
0.01106266 -0.00390603 0.02199009
-5.82603756 0.43887104 9.31242616
0.00037190 0.00006583 -0.00034948
-0.02757407 -0.01054763 -0.03295120
-8.57694163 -0.18025011 8.04592654
-0.00054694 -0.00013868 -0.00054096
0.00662885 -0.00235336 0.00876644
19.49905793 11.35211593 8.10220035
0.00005982 -0.00001045 0.00114311
0.00534133 -0.01200144 -0.00014508
19.52840204 13.26605659 6.07372746
0.00048759 0.00050664 0.00100311
0.00815996 0.01537981 -0.01280572
-2.70717461 -2.23345629 -22.57231169
-0.00018385 0.00174462 -0.00052329
-0.00387374 0.01425517 0.00658535
-4.84923647 -3.40802739 -24.25337794
0.00061683 0.00107604 0.00039548
-0.00814741 0.01300538 -0.00756892
-12.46109676 9.14191821 9.64467662
0.00001848 -0.00015466 0.00021376
-0.00168853 -0.00099222 0.00490550
-12.94306856 8.89551335 6.86239392
0.00051765 0.00060079 0.00086652
-0.00345968 -0.00077370 -0.00156184
-12.89713078 7.34895320 -4.61499739
-0.00072981 0.00035694 0.00014667
-0.00507713 0.00524257 -0.01066641
-11.77173214 9.13736997 -2.47716873
-0.00067498 0.00045338 -0.00008482
-0.00827093 -0.02425980 -0.01013929
-5.03010923 -17.36056703 19.77483162
-0.00004020 0.00058014 0.00038875
0.02105549 0.01589447 0.02202602
-2.17751568 -16.62888454 19.36023764
-0.00063987 0.00122284 0.00000455
0.01192077 0.00005174 -0.00508792
-3.44532582 5.39355805 -7.14346597
0.00064173 0.00045260 -0.00054267
0.00033130 0.00428996 0.00039976
-4.02590628 8.30820785 -6.63854342
-0.00081877 -0.00125185 -0.00007792
-0.01120658 0.02604202 0.02771101
-21.15023775 28.01254522 0.68856454
-0.00013904 -0.00030425 0.00119633
-0.00006355 0.01688515 0.00770508
-18.73281604 29.66639494 1.09336870
0.00038279 0.00079081 -0.00120926
-0.04019011 0.00419957 0.00788085
8.36881668 2.71835237 6.50734000
-0.00111856 -0.00003895 0.00001551
-0.00970031 -0.01612516 -0.02213499
9.34413755 4.64400985 8.11258003
0.00095632 -0.00085665 0.00044158
-0.00388313 0.04414060 0.02247448
7.33740405 15.81503455 -14.16236630
0.00023067 0.00064609 0.00182593
-0.01985425 -0.03294276 0.03101189
7.06763951 13.01659555 -13.14657711
0.00131579 0.00156459 -0.00019847
0.02044188 -0.04440464 -0.01085124
13.08000855 5.06314495 -3.20795313
-0.00110489 0.00013644 0.00061407
-0.00645223 0.01146695 -0.00617900
13.05638888 2.92775668 -1.32527051
-0.00081350 -0.00085867 0.00019995
0.02955397 0.01628653 -0.01191717
-4.93454553 9.61594889 -0.47285353
0.00117490 -0.00013168 -0.00125531
-0.02003868 0.01765673 -0.00033275
-7.78927563 10.06821551 -0.43898923
0.00004177 -0.00076755 -0.00017410
-0.01566791 -0.00661240 0.00774627
4.68237858 13.15917770 2.09521503
0.00051304 0.00043565 -0.00048654
0.02124390 -0.00393274 0.00925379
7.55591492 12.33502506 2.70016206
-0.00043909 0.00064621 0.00044378
0.04615226 -0.04248694 -0.01878712
21.19532464 -13.02175327 -10.27861142
0.00022801 -0.00080650 0.00045637
-0.00673528 0.00158628 -0.00845178
22.59423847 -13.46725596 -12.76838215
0.00120303 0.00036792 -0.00027675
0.00767551 -0.01700683 -0.02010601
17.72310132 -5.93598307 1.88527609
-0.00141328 0.00046289 -0.00003048
0.00949634 0.01774127 -0.01371183
16.39307482 -8.08932082 2.90799928
-0.00007546 -0.00001841 -0.00029433
-0.00275950 0.02634506 0.02018952
14.33152724 8.22963394 10.77684184
0.00002499 0.00034332 -0.00044729
0.01139147 -0.01590815 -0.01866028
16.70773496 6.54780474 10.79846584
0.00006893 0.00004184 -0.00048511
-0.00031446 0.00138137 0.00235814
1.53121449 -13.40668060 15.21001478
-0.00106066 0.00007319 0.00148930
0.01192404 0.01033094 0.01774289
3.50800710 -12.37109965 17.36073625
-0.00076028 0.00000987 -0.00054378
-0.00599852 0.01918109 0.00022100
-3.46930049 -2.69238944 -9.87202259
-0.00005044 0.00057294 0.00020552
-0.00442541 -0.00377956 0.00109234
-1.93569741 -1.07787643 -11.74907605
0.00061861 -0.00106760 -0.00065463
-0.00716128 0.00683970 0.00303189
15.13499189 -7.85277403 -11.30982011
-0.00040546 -0.00083412 0.00123103
-0.01394880 0.00005612 -0.02369742
16.98744501 -7.06019985 -9.27654826
0.00023918 -0.00016197 0.00010856
0.01015230 0.00730651 0.01314995
7.49179039 -3.10623588 5.60115014
0.00011387 -0.00069926 0.00009965
0.02900850 -0.01171011 0.00722047
10.40475397 -4.02549659 5.07065958
0.00112839 -0.00111823 -0.00013172
-0.00109026 0.00585651 -0.01460524
-21.00985366 0.97057077 22.85973234
0.00040855 -0.00022084 0.00082952
-0.00134377 -0.00211621 -0.00886124
-23.20224204 0.72131789 24.91646046
-0.00008771 0.00041107 -0.00090963
0.01270106 0.00499660 -0.00345543
25.76757994 -2.48717130 -7.93336998
0.00083237 -0.00005202 0.00014164
0.01136536 -0.01429676 -0.00302116
23.66299074 -0.71332227 -7.33859176
-0.00009264 -0.00020626 -0.00026109
-0.00691691 0.00645764 0.00028164
11.09783645 -12.83723546 -8.72189505
-0.00094228 0.00074198 0.00030510
-0.01041959 -0.00337694 0.01804379
12.87742212 -10.50649763 -9.47782694
0.00108819 -0.00007006 0.00025073
0.00871163 0.01029996 0.00878640
-5.66584668 -10.39203140 18.20548847
0.00030342 -0.00016692 0.00003335
0.01944114 -0.00221756 -0.01295440
-5.99368187 -9.96897320 15.41759209
0.00048484 0.00021092 -0.00115898
-0.01848648 0.01246315 -0.03105997
9.22416284 1.19997868 -31.77638884
0.00013051 -0.00059986 -0.00010875
-0.00953874 -0.00148047 0.00721112
6.74599118 2.74078550 -31.96382608
0.00095665 0.00015547 -0.00108514
-0.00001745 0.00045717 0.00303210
11.39536619 17.79124770 13.08821685
-0.00005542 -0.00104498 -0.00013797
0.00430118 0.01443903 -0.01604183
11.91756961 15.39665443 14.49578279
-0.00004389 0.00035946 -0.00056758
-0.00152962 0.00990175 0.00178508
31.01506492 5.44365838 -7.85400696
0.00047321 0.00032138 0.00000829
-0.00605054 0.01004200 -0.00273756
28.91225571 7.35753714 -7.51782538
0.00072303 -0.00013797 -0.00044933
-0.06682587 0.00952985 -0.00376061
-8.39379352 4.82534846 5.65617477
0.00010000 -0.00005060 0.00003871
0.00805254 0.00417449 0.00058930
-10.73088804 10.13400083 3.36188305
0.00000685 -0.00004544 -0.00007903
-0.00775704 -0.00508193 0.00521933
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08357357
0.33125889
441.38585688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3967529581 (a.u.)
total exchange computation time: 2.8010780811 s
-154.2504205255
-931.41326536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3957813997 (a.u.)
total exchange computation time: 2.7997260094 s
-154.2586446517
Anderson extrapolation: theta=1.3402212100 (1.3402212100)
-931.41351553
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3943598759 (a.u.)
total exchange computation time: 2.7993488312 s
-154.2704029489
Anderson extrapolation: theta=0.0492171410 (0.0492171410)
-931.41366182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3941961465 (a.u.)
total exchange computation time: 2.7997651100 s
-154.2716347162
Anderson extrapolation: theta=1.8817524901 (1.8817524901)
-931.41366669
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3938585961 (a.u.)
total exchange computation time: 2.8004820347 s
-154.2741424271
Anderson extrapolation: theta=0.2127273760 (0.2127273760)
-931.41367111
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3937768131 (a.u.)
total exchange computation time: 2.7990651131 s
-154.2747199802
Anderson extrapolation: theta=1.9092519907 (1.9092519907)
-931.41367182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3936419871 (a.u.)
total exchange computation time: 2.8001890182 s
-154.2756316119
Anderson extrapolation: theta=0.2843278334 (0.2843278334)
-931.41367256
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3936266393 (a.u.)
total exchange computation time: 2.7996990681 s
-154.2756931887
Anderson extrapolation: theta=1.3055347383 (1.3055347383)
-931.41367272
-122.796557 76.085266 -35.779818
566.810662 1066.434675 -418.366803
444.014104 1142.519940 -454.146621
1307.191452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0582848837
ExchangeOperator: pair fraction: ispin=0: 0.1425419145
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3936252167 (a.u.)
total exchange computation time: 2.8000171185 s
679.05351150
-1084.56475473
89.88612702
-388.52978313
-174.86514821
78.74227835
551.60419304
0.00000000
-931.41367277
5.39258639 -31.33382843 -3.76591855
-0.00035361 -0.00015380 -0.00008198
0.00547594 0.00792296 -0.01852966
-11.87126589 -0.94949967 -11.82060968
0.00002469 0.00016624 0.00007434
0.00649002 0.02107341 0.00157589
-37.86700572 2.39518999 3.21208460
0.00001240 0.00014296 -0.00022146
-0.00287126 -0.01967925 0.01639533
-9.98902791 -2.66293167 2.51890389
-0.00040168 0.00025458 0.00019874
0.04968646 -0.02049205 0.03646452
0.88318387 -0.36140175 8.93850136
0.00015194 -0.00035029 -0.00010413
0.00435276 0.00472539 0.00165275
-32.39654582 2.73325578 1.80429799
0.00002798 -0.00001510 0.00001158
0.02557521 -0.04462268 0.00125307
14.09912090 13.83815864 -14.55644813
0.00040137 0.00027079 -0.00022208
0.06077667 0.01229169 0.03478472
-4.32625108 7.02227828 3.99082620
-0.00043410 -0.00012540 -0.00018638
0.02667815 0.01061715 -0.05266767
5.91151868 16.66777673 -8.32971765
0.00027905 -0.00016411 0.00025540
-0.00972522 0.00813991 0.03216110
6.71645186 7.30741002 -20.99355286
-0.00028166 0.00010441 0.00019246
0.00051689 0.00515070 0.01264954
23.32575904 17.09488637 -2.08017724
-0.00013059 -0.00007990 0.00024688
0.02140169 0.00133625 -0.02020188
1.43194226 12.94828327 -20.86074015
0.00003019 -0.00008307 0.00010098
-0.00712226 -0.01232150 -0.01707813
10.45269259 -3.49330159 -1.68368768
-0.00000629 0.00011051 -0.00020802
-0.03124232 -0.06260158 -0.03292364
-17.77650060 -2.69377147 4.77174523
0.00018651 -0.00012623 0.00005853
-0.01086378 -0.03668828 -0.00268696
-15.24328594 0.07921075 18.52331823
0.00022827 -0.00013705 -0.00023657
0.00292710 -0.00529780 -0.01874979
2.53806419 2.81757143 -2.82322762
-0.00055963 0.00011323 0.00021919
-0.01639822 0.00175645 0.00638060
23.47191798 -7.94341036 -9.74311613
0.00007071 -0.00025343 -0.00028337
0.00313516 0.00183778 0.00096177
1.58867447 -7.85313305 6.75956284
0.00032691 0.00014907 0.00013281
-0.00924204 0.00105715 -0.03154551
-3.54096334 -0.94530704 -17.96849602
0.00045371 0.00038985 0.00026001
0.00144729 0.02995981 -0.00584161
3.05983313 4.24462752 -10.52264323
-0.00048354 -0.00005752 0.00026441
-0.00277352 -0.00693694 0.02383843
-2.63874802 16.85369980 13.98816613
0.00001267 0.00010788 -0.00010484
0.01471455 0.00507494 0.00463919
-2.26801538 2.12783859 -7.02795249
0.00010772 0.00012190 0.00013607
0.01833763 0.00278633 0.04044310
-6.80342849 -2.03737277 -4.53743161
-0.00007461 0.00000748 -0.00016179
0.02638478 -0.01721079 -0.00577762
0.35464599 28.32617211 7.35148601
0.00002953 0.00012993 0.00009071
0.02313032 -0.00807029 -0.00652287
10.14593134 -9.15181792 -1.56833559
0.00017614 -0.00007757 -0.00022030
-0.02763791 0.00180136 -0.02685842
-6.94264385 0.57593050 7.71560224
-0.00020394 0.00038442 0.00033421
0.01676263 0.00822001 0.01896230
18.85086834 11.63402843 6.41250521
0.00017731 -0.00018471 0.00009112
-0.00878850 -0.00177484 0.01770347
-3.37964711 -3.75950212 -23.23602133
-0.00023470 0.00006102 -0.00000265
0.01161068 -0.01240732 0.00576845
-13.64401525 8.35118190 8.48510575
-0.00000857 0.00005273 0.00022387
0.00592508 0.00167994 -0.00518423
-12.26282638 7.34808287 -2.89138684
-0.00025185 -0.00029312 -0.00039462
0.01876016 0.02783772 0.03250607
-3.51693123 -16.43725534 20.54858867
-0.00039483 -0.00033936 0.00004455
-0.03168526 -0.00720593 -0.00397477
-3.57769945 7.09958336 -7.83962375
-0.00047121 0.00038673 0.00013309
0.02037111 -0.03144570 -0.04318748
-20.68699023 29.71350382 1.31747584
0.00004352 0.00021254 -0.00004738
0.04325586 -0.02045243 -0.01106803
9.88115310 3.11055888 7.41465837
0.00006231 0.00006375 -0.00009138
0.00763114 -0.02368597 -0.00940862
6.40062400 14.60758793 -12.90185644
0.00012427 0.00015684 0.00032952
0.00406741 0.07872555 -0.01836366
14.15710751 3.67891828 -2.73044267
0.00015225 -0.00032892 0.00008412
-0.02761281 -0.02200546 0.01642689
-6.24121123 10.96919090 -0.32924720
0.00015651 -0.00013645 0.00011240
0.04109586 -0.01333739 -0.01321716
6.25186014 13.35737345 3.13679222
0.00019299 0.00036514 0.00005586
-0.07646711 0.05472969 0.01580590
21.84300240 -12.16131407 -11.78531642
-0.00014405 0.00018189 -0.00014368
-0.01025140 0.00693061 0.03654639
16.81862379 -6.29712110 3.40144860
0.00035287 0.00007013 -0.00010657
-0.01175663 -0.04199771 -0.00705365
15.36883808 7.06568793 9.67279430
0.00015596 -0.00031971 -0.00032670
-0.01842683 0.01516400 0.01294303
3.00650824 -13.71036473 16.26085228
-0.00000284 0.00007978 -0.00040709
-0.00277394 -0.03238366 -0.01832248
-3.58901575 -1.14566962 -10.87150545
-0.00012090 -0.00036386 -0.00003536
0.01503636 0.00963381 -0.00594347
15.34416701 -7.81552961 -9.52310207
-0.00008045 0.00020155 -0.00021515
-0.00729030 -0.00730667 0.02329370
9.18267366 -3.69735354 6.36376572
0.00031209 -0.00044168 0.00007275
-0.04245518 0.00186678 0.01357312
-21.60845229 1.57975646 24.44357434
-0.00024858 -0.00005630 -0.00012351
-0.00837554 0.00559067 0.01927429
24.90074385 -1.74832001 -6.52341922
-0.00006740 0.00000695 -0.00013615
-0.00444452 0.00327050 0.00055867
11.87266949 -11.88800754 -10.03967874
0.00028187 -0.00020404 -0.00020652
0.00304257 -0.00607259 -0.02176957
-4.72249413 -10.41743770 16.56480004
0.00015359 -0.00035233 0.00011677
-0.00063898 -0.01256324 0.04604204
8.22055194 2.50436940 -30.90183457
0.00000370 0.00034855 -0.00046716
0.00288110 -0.01056721 -0.00207150
10.97568030 16.96801872 14.62371061
0.00019641 -0.00030541 -0.00022790
-0.00204979 -0.01161641 0.01853026
30.62966202 7.25083310 -7.45707079
-0.00011277 -0.00014369 0.00034927
0.07660169 -0.01543028 -0.00132532
5.58972061 -30.10341486 -5.15999170
-0.00079756 -0.00043124 0.00065738
0.00203340 -0.01011110 0.00428867
4.05669164 -30.60247079 -2.80208187
0.00046331 0.00099996 0.00044604
-0.01176363 0.00506952 0.01290257
-12.65832228 -1.85807429 -13.27628106
-0.00012864 -0.00044000 0.00037483
0.00964521 0.00365360 0.00401061
-11.70487662 0.86713632 -12.36759633
-0.00025943 0.00013349 -0.00028622
-0.00448456 -0.03056495 -0.01042210
-37.95459874 4.10589602 2.66210242
0.00079687 0.00137173 0.00052349
-0.00478521 0.02062864 -0.00965435
-39.60299374 1.82969579 3.41782029
0.00035146 -0.00075494 0.00035857
0.00361723 0.00043090 -0.00348515
-10.00677004 -3.49764937 0.87269034
-0.00089308 0.00000649 0.00010983
-0.00346084 0.00799258 0.00259360
-8.51960677 -3.49129328 3.49436050
0.00018691 -0.00016552 0.00013636
-0.02914609 0.01936692 -0.02918982
0.42270505 -0.68021946 7.21100693
0.00142651 0.00032773 0.00060224
0.00143828 -0.00023362 -0.00661350
1.86638388 1.19220148 8.90288459
-0.00014171 0.00022815 -0.00044105
-0.00583979 -0.00860953 0.00296006
-32.61513192 0.84069677 2.07950868
-0.00111467 -0.00044944 -0.00093942
0.00559781 0.02571638 -0.00074395
-34.04309566 3.36093554 1.66263798
0.00045885 -0.00028758 -0.00074553
-0.03156616 0.00931235 0.00081415
12.74516398 13.01411780 -15.29103651
-0.00081532 0.00004939 -0.00027883
-0.02866119 -0.02808065 -0.02159952
15.64180261 12.70539351 -14.56609405
-0.00020153 0.00010588 0.00049071
-0.02962947 0.01407585 -0.01736631
-3.95330504 8.80505624 4.35769980
-0.00018939 0.00000365 -0.00041152
-0.00693219 -0.00555453 0.01261468
-3.64729536 6.99085489 2.15361100
-0.00046487 -0.00036179 0.00026341
-0.01929319 -0.01479229 0.04616540
6.12876629 15.76589664 -9.88183458
0.00001812 0.00003259 0.00076584
0.00472766 -0.00780985 -0.02556138
7.62646357 17.01421133 -7.75766215
-0.00010992 0.00021326 0.00031971
0.00412422 -0.00223371 -0.00299200
7.61062168 7.30247870 -22.59661903
0.00000153 0.00031683 -0.00056827
0.00536506 -0.00410098 -0.00948544
7.80969679 8.37906203 -19.92444351
-0.00001731 0.00132680 -0.00079214
-0.00350573 -0.00673978 -0.00416737
21.61261041 17.63184107 -2.49388272
-0.00001461 -0.00081415 0.00028560
-0.00037534 -0.00233551 0.00828236
24.39869943 17.79808814 -3.42679092
-0.00033374 0.00003792 -0.00057624
-0.01069278 -0.00140438 0.00965513
1.09901287 11.13463621 -21.13331608
-0.00023794 0.00042013 0.00129907
0.00076497 0.00804086 0.00367839
0.64347599 13.83063665 -22.28619075
0.00029156 0.00027483 0.00026981
0.00806945 -0.00004206 0.01108844
9.83597678 -5.40336310 -1.71712653
0.00041012 -0.00044082 -0.00010400
0.02428937 0.05376286 0.00193790
9.72350217 -2.80739776 -3.25701882
0.00121803 -0.00059869 -0.00072970
0.00235823 -0.00448529 0.01812649
-18.64717735 -4.29311047 5.31173562
0.00071886 -0.00017454 0.00021178
0.00848183 0.02135903 0.00376531
-17.35497229 -3.22929118 3.07031874
-0.00102223 -0.00021363 0.00017627
-0.00007932 0.00831526 -0.00273864
-15.39508746 0.42683699 16.71103820
0.00011073 0.00039340 0.00020493
0.00130880 -0.00158810 0.00897473
-13.77634198 1.02862677 18.98917529
-0.00048541 -0.00005839 0.00029152
0.00202480 0.00597069 0.00572513
3.11758041 3.98828796 -4.07220173
0.00013355 0.00019603 0.00087436
0.00286429 0.00476612 -0.00291716
3.31619327 1.22890177 -3.22956991
0.00048241 0.00125867 -0.00061735
0.01001442 -0.00168295 -0.00329130
23.30066932 -9.65946750 -10.38728695
0.00076956 0.00050080 0.00005044
-0.00942744 -0.00312391 -0.00369808
24.93216175 -7.97335112 -8.68141234
0.00061122 -0.00006265 0.00005014
0.00833401 0.00661568 0.00402869
2.40407456 -9.16056413 5.77073258
-0.00004777 -0.00043982 -0.00003283
-0.00272718 0.00836872 -0.00479362
2.15258306 -8.22827694 8.39412233
-0.00119637 0.00033899 0.00085363
0.01136287 0.00432965 0.03089251
-3.42337922 -2.71003402 -17.92520749
0.00050275 -0.00005211 -0.00047376
-0.00250475 -0.03116667 0.00342924
-5.07963313 -0.47516686 -17.03864977
-0.00010862 -0.00050537 0.00022878
0.00582835 -0.00099506 0.00466499
2.00303435 4.79558409 -11.85027396
0.00058145 0.00030026 0.00031802
-0.00544606 0.01218618 -0.03597381
1.74377535 4.24243929 -9.24837113
-0.00015136 0.00074074 0.00018782
0.00926659 -0.00798501 0.01105613
-0.97640529 16.18355231 13.37676419
-0.00057148 -0.00087705 0.00126140
-0.01100621 -0.00509756 0.00319350
-2.41338852 17.10344371 15.79187326
0.00046220 -0.00022466 0.00089561
-0.00516433 -0.00375248 -0.00846003
-1.94708837 1.19721081 -5.44498250
-0.00067837 0.00041649 0.00032975
-0.00335636 0.01613826 -0.01532404
-2.95430146 0.87122010 -8.11345500
-0.00094089 -0.00058658 -0.00013791
-0.01373492 -0.01623044 -0.02613237
-8.26389181 -3.07354838 -4.51610953
-0.00117466 -0.00014708 0.00099349
-0.01821426 -0.01107288 -0.00156529
-7.32259691 -0.45395786 -3.92979192
-0.00014282 -0.00020654 -0.00004214
-0.00941463 0.02949369 0.00749640
1.21034623 28.20693368 5.73414022
0.00076128 -0.00018259 -0.00071432
0.01178876 0.00419431 0.00144120
-1.30023755 28.19366352 6.68497471
-0.00143632 -0.00068729 -0.00004314
-0.03443991 0.00089753 -0.00204594
8.31610082 -9.35188149 -2.00264757
-0.00005214 -0.00046966 0.00041816
0.01792968 0.00598928 -0.00325365
10.21497908 -9.81595685 0.10174365
0.00063257 0.00082150 -0.00009396
0.01132666 -0.00469625 0.02415571
-5.82130397 0.43953528 9.30617417
0.00025846 0.00002219 -0.00048098
-0.02795755 -0.01081488 -0.03141581
-8.58494254 -0.18240250 8.03808075
-0.00051417 -0.00014612 -0.00050437
0.00941001 -0.00128385 0.00914682
19.50011896 11.35159142 8.11934258
0.00007721 -0.00005867 0.00113059
0.00317184 -0.01160174 -0.00598438
19.53596598 13.27412745 6.08838169
0.00051699 0.00056025 0.00095198
0.00623030 0.01086614 -0.01222401
-2.71005108 -2.20685010 -22.57995927
-0.00020558 0.00178317 -0.00050326
-0.00676072 0.00461290 0.00321783
-4.84023365 -3.39148822 -24.24767761
0.00057397 0.00112851 0.00035755
-0.01283520 0.01267550 -0.01099913
-12.46087136 9.13956786 9.64803336
0.00001168 -0.00015861 0.00023555
-0.00163864 -0.00094170 0.00576037
-12.93540982 8.90450145 6.87534382
0.00050347 0.00059744 0.00085644
-0.00348350 -0.00086530 -0.00336884
-12.90823348 7.35446790 -4.61312418
-0.00075204 0.00037733 0.00009857
-0.00580813 0.00473925 -0.01287738
-11.78211036 9.14342721 -2.47875166
-0.00070958 0.00034747 -0.00012731
-0.00866579 -0.02758202 -0.01066163
-5.03006708 -17.35137785 19.78133777
0.00003958 0.00064004 0.00047429
0.01800052 0.01342644 0.01984672
-2.18674839 -16.61054030 19.36014995
-0.00058803 0.00122222 -0.00001989
0.01345467 -0.00035873 -0.00687646
-3.43568976 5.40047850 -7.15159377
0.00064283 0.00046619 -0.00053994
0.00020650 0.00236267 0.00093772
-4.03853128 8.29022816 -6.63886314
-0.00087014 -0.00113111 0.00004968
-0.01393529 0.03305910 0.03475306
-21.15232523 28.00849885 0.70674560
-0.00013831 -0.00023437 0.00122752
0.00041756 0.01732354 0.00756456
-18.72830575 29.67838580 1.07547126
0.00021523 0.00080664 -0.00117547
-0.04183037 0.00355004 0.00866092
8.35174100 2.71727393 6.50689443
-0.00114476 -0.00010004 -0.00006691
-0.00312306 -0.01377503 -0.01821011
9.35836334 4.63251264 8.11989237
0.00093579 -0.00066442 0.00053881
-0.00616497 0.04996011 0.02512255
7.34025563 15.82371644 -14.13402705
0.00015118 0.00051540 0.00194779
-0.01905255 -0.03103060 0.02863994
7.08800274 13.03870371 -13.14988675
0.00140499 0.00137001 -0.00024425
0.02322541 -0.05084235 -0.01155693
13.06323751 5.06554300 -3.19893149
-0.00112168 0.00017209 0.00059217
-0.00176543 0.00598014 -0.00453691
13.04509200 2.91537566 -1.32263642
-0.00068734 -0.00078957 0.00014673
0.03220438 0.01754102 -0.01413714
-4.91753601 9.61451472 -0.49169335
0.00108576 -0.00005392 -0.00125502
-0.02359612 0.02040774 0.00047532
-7.78912918 10.05649957 -0.44136335
-0.00001476 -0.00079130 -0.00014209
-0.01200200 -0.00500948 0.00792117
4.69072509 13.16559197 2.08820044
0.00059920 0.00041965 -0.00044765
0.02093269 -0.00389913 0.00978642
7.55074284 12.34341631 2.70624301
-0.00023857 0.00046357 0.00036360
0.05200400 -0.04691698 -0.02046002
21.19853845 -13.03380223 -10.27202483
0.00020443 -0.00079454 0.00041250
-0.00480937 0.00427253 -0.01302500
22.61251908 -13.46225833 -12.77314945
0.00122977 0.00030468 -0.00035393
0.00541364 -0.01394750 -0.01767557
17.70219311 -5.92849601 1.88439866
-0.00136733 0.00053847 -0.00009820
0.01299805 0.01925143 -0.01943634
16.39185838 -8.08878964 2.90420298
-0.00008552 0.00009089 -0.00021076
-0.00216342 0.02715818 0.02071833
14.33225113 8.23429628 10.76956070
0.00007363 0.00027518 -0.00052524
0.01241974 -0.01744600 -0.01949907
16.70875929 6.54847469 10.79126151
0.00007044 0.00004634 -0.00047294
0.00105210 0.00081936 0.00359730
1.51567002 -13.40526611 15.23289802
-0.00101506 0.00011451 0.00155844
0.01039802 0.00989553 0.01610236
3.49641904 -12.37036390 17.35258634
-0.00078246 0.00009128 -0.00053821
-0.00485526 0.02066975 0.00250577
-3.47019276 -2.68391122 -9.86890636
-0.00006839 0.00055011 0.00021423
-0.00436161 -0.00739174 0.00317284
-1.92663766 -1.09368086 -11.75880265
0.00057962 -0.00103903 -0.00063684
-0.01192800 0.00714777 0.00567839
15.12848252 -7.86528410 -11.29208077
-0.00046344 -0.00083362 0.00111146
-0.01443212 0.00018945 -0.03483617
16.99134376 -7.06240553 -9.27451689
0.00027794 -0.00013283 0.00016050
0.00882282 0.00695768 0.01227429
7.49438735 -3.11708354 5.60286622
0.00023336 -0.00074706 0.00012807
0.02948427 -0.01169079 0.00669123
10.42164640 -4.04209051 5.06823622
0.00111392 -0.00109120 -0.00018240
-0.00599033 0.00737336 -0.01020496
-21.00376658 0.96719327 22.87190368
0.00040669 -0.00023260 0.00078472
0.00043162 -0.00363793 -0.01306979
-23.20316844 0.72763712 24.90271019
-0.00004173 0.00042828 -0.00092106
0.00980714 0.00342566 -0.00214016
25.78041371 -2.48838970 -7.93133802
0.00087580 -0.00010800 0.00013232
0.00989315 -0.01310587 -0.00154099
23.66138924 -0.71621833 -7.34249941
-0.00012090 -0.00017994 -0.00026085
-0.00691761 0.00642609 -0.00016559
11.08338301 -12.82620919 -8.71676565
-0.00098172 0.00073130 0.00037317
-0.00888582 -0.00185401 0.01527662
12.89401200 -10.50723297 -9.47379670
0.00111676 -0.00003695 0.00028274
0.00526911 0.00591096 0.00688330
-5.66069968 -10.39460320 18.20559179
0.00038012 -0.00017530 -0.00001936
0.01810719 -0.00188058 -0.01284942
-5.98697577 -9.96542745 15.39925562
0.00041950 0.00025813 -0.00127416
-0.01349557 0.01064505 -0.02532196
9.22582825 1.19093549 -31.77779916
0.00008852 -0.00060123 -0.00007604
-0.01101554 0.00080882 0.00880317
6.76034045 2.74313163 -31.98001032
0.00095088 0.00015867 -0.00107575
-0.00281002 0.00110799 0.00156846
11.39466674 17.77601544 13.08565579
-0.00003673 -0.00098093 -0.00020995
0.00484648 0.01691594 -0.01919723
11.91686439 15.40234972 14.48732382
-0.00004522 0.00039006 -0.00055924
0.00087662 0.00507980 0.00229497
31.02197769 5.44878674 -7.85396643
0.00044853 0.00035947 -0.00000329
-0.00602993 0.00860470 -0.00293144
28.92105342 7.35575968 -7.52468061
0.00043450 -0.00009845 -0.00046650
-0.07441016 0.00981243 -0.00464477
-8.39227190 4.82460069 5.65675704
0.00010288 -0.00004912 0.00003891
0.00802263 0.00408593 0.00053543
-10.73079872 10.13331039 3.36070665
0.00000504 -0.00004660 -0.00007783
-0.00786402 -0.00489374 0.00511316
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08356403
0.33010874
439.85334717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3900828309 (a.u.)
total exchange computation time: 2.8035070896 s
-154.2293355213
-931.41124773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3892120117 (a.u.)
total exchange computation time: 2.8036761284 s
-154.2371350112
Anderson extrapolation: theta=1.3895139609 (1.3895139609)
-931.41152142
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3879545382 (a.u.)
total exchange computation time: 2.8048698902 s
-154.2483381466
Anderson extrapolation: theta=0.0707833672 (0.0707833672)
-931.41169674
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3878385180 (a.u.)
total exchange computation time: 2.8054490089 s
-154.2494293639
Anderson extrapolation: theta=2.4482087004 (2.0000000000)
-931.41170789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3876220500 (a.u.)
total exchange computation time: 2.8053250313 s
-154.2515312482
Anderson extrapolation: theta=0.4875967281 (0.4875967281)
-931.41172335
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3875522853 (a.u.)
total exchange computation time: 2.8056950569 s
-154.2522897474
Anderson extrapolation: theta=0.8569665454 (0.8569665454)
-931.41172822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3875377017 (a.u.)
total exchange computation time: 2.8038601875 s
-154.2525734915
Anderson extrapolation: theta=0.5913372705 (0.5913372705)
-931.41173113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3875690448 (a.u.)
total exchange computation time: 2.8053019047 s
-154.2524071027
Anderson extrapolation: theta=0.6128267727 (0.6128267727)
-931.41173224
-122.764044 76.082854 -35.773814
566.828140 1066.463762 -418.336860
444.064097 1142.546616 -454.110675
1307.219262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3876157842 (a.u.)
total exchange computation time: 2.7233860493 s
678.96453092
-1084.38990980
89.90166523
-388.64887062
-174.85153258
78.64537064
551.60419304
0.00000000
-931.41173264
5.38730343 -31.33610482 -3.76721970
-0.00035136 -0.00015023 -0.00009027
0.00325111 0.00596437 -0.01373356
-11.87087051 -0.94692486 -11.81948851
0.00002790 0.00017690 0.00007505
0.00600972 0.02041476 0.00119169
-37.86683082 2.39725844 3.20882595
0.00001118 0.00013440 -0.00021348
-0.00187377 -0.01360539 0.01464556
-9.99486150 -2.65919203 2.52202571
-0.00037569 0.00024353 0.00021742
0.05137294 -0.02247409 0.03616038
0.88547972 -0.36663783 8.93694581
0.00015515 -0.00034678 -0.00010136
0.00813891 0.00891822 0.00910653
-32.39602740 2.73285720 1.80447647
0.00004161 -0.00003902 0.00001225
0.02740543 -0.04839662 0.00135971
14.10537588 13.84226784 -14.55964513
0.00042972 0.00027616 -0.00020533
0.04947299 0.00861694 0.03033023
-4.33265968 7.02043824 3.98782739
-0.00042048 -0.00011974 -0.00021283
0.02629145 0.01137423 -0.05021685
5.91566691 16.66534642 -8.32576265
0.00027341 -0.00015943 0.00027269
-0.01221466 0.01008737 0.03510810
6.71222892 7.30899599 -20.99061722
-0.00028029 0.00010745 0.00019777
0.00483405 0.00666616 0.00802412
23.32388269 17.09369310 -2.07655195
-0.00011854 -0.00007911 0.00023597
0.02545398 0.00170124 -0.02223723
1.43236761 12.94698965 -20.85929140
0.00002694 -0.00008832 0.00009264
-0.00551300 -0.00806548 -0.01535100
10.45247770 -3.49188542 -1.68693498
-0.00002207 0.00007777 -0.00022447
-0.03009532 -0.06472829 -0.03104622
-17.77374487 -2.69580648 4.77261274
0.00018088 -0.00014480 0.00005766
-0.01103583 -0.03550722 -0.00067427
-15.23985062 0.07713456 18.51969730
0.00022909 -0.00014022 -0.00024584
0.00027108 -0.00704342 -0.01730176
2.52960649 2.81927671 -2.81991522
-0.00056820 0.00011446 0.00022254
-0.01693395 0.00301114 0.00667372
23.47299073 -7.94720479 -9.74736301
0.00007363 -0.00025102 -0.00028144
0.00821028 0.00753418 0.00655976
1.59354242 -7.85089295 6.76143334
0.00032247 0.00014926 0.00011659
-0.00799093 -0.00031598 -0.03154833
-3.53415209 -0.93934379 -17.96461840
0.00045405 0.00040410 0.00025729
-0.00012482 0.02545790 -0.00471708
3.05256939 4.24373799 -10.51858509
-0.00048413 -0.00006133 0.00027702
0.00046153 -0.00788410 0.02517884
-2.63850117 16.85533763 13.98661149
0.00001990 0.00011078 -0.00010008
0.01339304 0.00616976 0.01385162
-2.26632882 2.12967787 -7.02575547
0.00011615 0.00012189 0.00015518
0.01443365 -0.00282510 0.03388627
-6.80444587 -2.03732692 -4.53988071
-0.00006297 -0.00000278 -0.00016478
0.01887590 -0.02268279 -0.00585513
0.35517810 28.32808999 7.35282145
0.00003956 0.00012538 0.00008465
0.01587300 -0.00962203 -0.01702571
10.14846686 -9.15297458 -1.57174365
0.00016169 -0.00007660 -0.00023440
-0.02857236 0.00199030 -0.02798930
-6.94563823 0.58172856 7.72068847
-0.00019603 0.00038841 0.00034331
0.01398578 0.00728942 0.01644856
18.85349403 11.63125097 6.41394034
0.00017384 -0.00018452 0.00010142
-0.00467202 0.00251501 0.02232671
-3.38312277 -3.75863467 -23.23603885
-0.00022697 0.00005703 0.00000188
0.01844384 -0.00312617 0.01186679
-13.64412094 8.35197926 8.48844379
-0.00000554 0.00005359 0.00022142
0.00583849 0.00167660 -0.00435795
-12.26653180 7.34379350 -2.89718075
-0.00024194 -0.00027800 -0.00037717
0.01979151 0.03095498 0.03535039
-3.52297587 -16.44237355 20.54924158
-0.00041036 -0.00034225 0.00004348
-0.02869586 -0.00403065 -0.00019193
-3.58468899 7.10526301 -7.83779405
-0.00046002 0.00036948 0.00010918
0.02312912 -0.03562523 -0.04976362
-20.68617052 29.71661297 1.31672250
0.00006591 0.00020209 -0.00005314
0.04380201 -0.02018721 -0.01133462
9.88211725 3.11142374 7.41325142
0.00006498 0.00004988 -0.00009774
0.00273695 -0.03023349 -0.01534060
6.40250375 14.61024421 -12.89698448
0.00012559 0.00019763 0.00032087
0.00106138 0.07989482 -0.01528162
14.15928469 3.67389954 -2.72911745
0.00013623 -0.00033908 0.00009260
-0.03465544 -0.01750638 0.01653037
-6.23870511 10.96709271 -0.32761215
0.00017740 -0.00014439 0.00010536
0.04014890 -0.01752739 -0.01417289
6.25445996 13.36306173 3.13769104
0.00015308 0.00039386 0.00006412
-0.07870339 0.05693923 0.01632857
21.84080204 -12.15855906 -11.78733063
-0.00014915 0.00018389 -0.00012457
-0.00955082 0.00088061 0.03777046
16.82387152 -6.29623121 3.39982289
0.00034596 0.00004816 -0.00010895
-0.01513913 -0.04343244 -0.00220736
15.37110644 7.06095074 9.66794378
0.00014593 -0.00031149 -0.00032021
-0.02059360 0.01680824 0.01229431
3.00645501 -13.70929302 16.25467532
-0.00000410 0.00006300 -0.00041651
-0.00216143 -0.03286103 -0.01834257
-3.59077124 -1.15109034 -10.87205880
-0.00011206 -0.00035799 -0.00003957
0.01933171 0.01316750 -0.01042713
15.34293211 -7.81253450 -9.52623946
-0.00008354 0.00019798 -0.00020022
-0.00473641 -0.00658987 0.03476492
9.18719129 -3.70397150 6.36490929
0.00029147 -0.00044106 0.00007887
-0.03775078 0.00052979 0.01024307
-21.61221335 1.57893354 24.44179601
-0.00025243 -0.00005259 -0.00011297
-0.00659008 0.00882954 0.02170186
24.89971567 -1.74820317 -6.52545930
-0.00006932 0.00000831 -0.00013618
-0.00301374 0.00201464 -0.00069245
11.87690923 -11.89109157 -10.04286058
0.00028388 -0.00020650 -0.00021636
0.00479663 -0.00349662 -0.01647483
-4.72019278 -10.42277115 16.56672922
0.00015221 -0.00035827 0.00013866
-0.00470671 -0.01054088 0.03905669
8.22061849 2.50955686 -30.90884992
0.00000609 0.00034239 -0.00046831
0.00643328 -0.01338247 -0.00239225
10.97861858 16.96339277 14.62036355
0.00019462 -0.00031060 -0.00021783
-0.00492065 -0.00855897 0.02063530
30.62826593 7.24861819 -7.45183682
-0.00007245 -0.00015112 0.00034876
0.08020650 -0.01344522 -0.00067792
5.57781952 -30.11019337 -5.14999954
-0.00078653 -0.00046622 0.00066609
0.00336525 -0.00700994 -0.00002838
4.06328080 -30.58731612 -2.79499584
0.00041723 0.00101820 0.00049818
-0.01079435 0.00386052 0.01262097
-12.65995636 -1.86456238 -13.27053566
-0.00008856 -0.00042398 0.00039175
0.00997384 0.00419152 0.00427245
-11.70890551 0.86820213 -12.37220896
-0.00027750 0.00000895 -0.00032910
-0.00436038 -0.03039941 -0.01056816
-37.94279232 4.12710412 2.66965899
0.00077529 0.00144074 0.00048887
-0.00577689 0.01315175 -0.00729452
-39.59761094 1.81838492 3.42309208
0.00036635 -0.00075010 0.00034330
0.00367082 0.00193715 -0.00399036
-10.02027235 -3.49730707 0.87441732
-0.00090667 0.00004041 0.00012259
-0.00319151 0.00860840 0.00365035
-8.51769629 -3.49318262 3.49551138
0.00006455 -0.00008417 0.00001490
-0.03074685 0.02045425 -0.03026240
0.44414671 -0.67531072 7.21983781
0.00142654 0.00032145 0.00055742
-0.00141955 -0.00284049 -0.01532217
1.86407921 1.19535987 8.89635959
-0.00016787 0.00018949 -0.00042622
-0.00696162 -0.01031172 0.00429948
-32.63168039 0.83474327 2.06539463
-0.00108900 -0.00034095 -0.00094137
0.00696790 0.02738632 -0.00021199
-34.03718021 3.35690720 1.65148000
0.00032326 -0.00024542 -0.00074297
-0.03480498 0.01132427 0.00043837
12.73205589 13.01399817 -15.29588090
-0.00091340 -0.00005454 -0.00035705
-0.01934703 -0.02279493 -0.01668873
15.63787167 12.70741310 -14.55926552
-0.00031851 0.00016002 0.00041886
-0.02763247 0.01242379 -0.01780475
-3.95635837 8.80494085 4.35191358
-0.00021811 -0.00002046 -0.00035985
-0.00712483 -0.00624800 0.01267583
-3.65485961 6.98497476 2.15897677
-0.00054223 -0.00042212 0.00044698
-0.01857564 -0.01474034 0.04369612
6.12918297 15.76614618 -9.87113026
0.00003880 -0.00000324 0.00065471
0.00539558 -0.00973043 -0.02883633
7.62494111 17.01734179 -7.75295819
-0.00008988 0.00020425 0.00030832
0.00568886 -0.00217582 -0.00258221
7.61080907 7.30710547 -22.60543380
0.00001758 0.00029897 -0.00059745
0.00249164 -0.00463892 -0.00479419
7.80932979 8.39875744 -19.93645337
-0.00003377 0.00129675 -0.00080936
-0.00455232 -0.00796692 -0.00426090
21.61237980 17.61955722 -2.48934499
-0.00002061 -0.00082187 0.00031857
-0.00256209 -0.00144196 0.00785757
24.39336563 17.79861392 -3.43513865
-0.00038100 0.00003007 -0.00053189
-0.01243828 -0.00243811 0.01205536
1.09546718 11.14118457 -21.11371726
-0.00023691 0.00044550 0.00131133
-0.00026225 0.00437775 0.00231949
0.64809669 13.83475787 -22.28180379
0.00032347 0.00027371 0.00031400
0.00754771 -0.00050573 0.01054117
9.84287289 -5.40832794 -1.71862709
0.00050915 -0.00021932 -0.00009648
0.02418615 0.05466233 0.00174250
9.74184485 -2.81651556 -3.26740880
0.00122539 -0.00061531 -0.00065922
0.00124304 -0.00365110 0.01637129
-18.63613451 -4.29507411 5.31502764
0.00075162 -0.00008926 0.00022893
0.00755147 0.02038831 0.00463142
-17.37030810 -3.23224085 3.07287892
-0.00102044 -0.00018036 0.00015954
0.00095385 0.00797128 -0.00545341
-15.39338637 0.43268931 16.71438719
0.00011580 0.00038773 0.00023677
0.00117249 -0.00118843 0.00661058
-13.78356104 1.02793394 18.99372348
-0.00047193 -0.00003077 0.00031650
0.00457229 0.00754858 0.00650213
3.11967137 3.99137453 -4.05917572
0.00014497 0.00021950 0.00086113
0.00272662 0.00672051 -0.00356143
3.32373628 1.24773020 -3.23893098
0.00052466 0.00124481 -0.00063006
0.01066594 -0.00510208 -0.00293065
23.31192377 -9.65205121 -10.38664367
0.00072930 0.00047574 0.00003124
-0.01027941 -0.00914353 -0.00570184
24.94158537 -7.97408818 -8.68053685
0.00063653 -0.00003520 0.00006025
0.00405719 0.00682038 0.00092223
2.40327440 -9.16690499 5.77009320
-0.00006050 -0.00040210 -0.00004744
-0.00350364 0.01009321 -0.00235583
2.13498575 -8.22305947 8.40787341
-0.00115109 0.00035606 0.00097461
0.01080133 0.00402745 0.02832978
-3.41591474 -2.71177075 -17.93220884
0.00049244 -0.00017023 -0.00046042
-0.00254366 -0.02665450 0.00310007
-5.08108382 -0.48277793 -17.03507511
-0.00008224 -0.00050919 0.00024625
0.00708585 -0.00087517 0.00388418
2.01158924 4.80046138 -11.84660602
0.00055360 0.00035266 0.00016568
-0.00818858 0.01346629 -0.03859653
1.74178887 4.25330575 -9.24521500
-0.00011723 0.00070823 0.00023493
0.00744284 -0.00793063 0.01200413
-0.98531469 16.17024032 13.39578301
-0.00061059 -0.00089927 0.00126955
-0.00813904 -0.00577953 0.00079933
-2.40661378 17.09995882 15.80504815
0.00043770 -0.00024121 0.00084732
-0.00682890 -0.00434929 -0.01517930
-1.95736681 1.20395266 -5.44050581
-0.00069128 0.00048111 0.00026898
-0.00296135 0.01549488 -0.01442266
-2.96883568 0.86192402 -8.11632446
-0.00098945 -0.00063987 -0.00023368
-0.01003490 -0.00985352 -0.02074560
-8.28206979 -3.07609395 -4.50125509
-0.00123357 -0.00018282 0.00098690
-0.01062398 -0.00642117 -0.00166239
-7.32502775 -0.45615215 -3.93019423
-0.00018096 -0.00008392 -0.00001111
-0.00925354 0.03053088 0.00769178
1.22212671 28.20432341 5.72346951
0.00079872 -0.00016442 -0.00069417
0.00653561 0.00469850 0.00842584
-1.32283776 28.18338164 6.68426494
-0.00155084 -0.00068133 -0.00004401
-0.02161825 0.00202254 0.00161983
8.31586808 -9.35874284 -1.99647494
0.00002215 -0.00044462 0.00040454
0.01843631 0.00626547 -0.00341275
10.22481466 -9.80377830 0.10107445
0.00067922 0.00080145 0.00000715
0.01151126 -0.00511598 0.02533977
-5.81828378 0.43953672 9.29799682
0.00014460 -0.00002249 -0.00060489
-0.02777532 -0.01105723 -0.02923904
-8.59236674 -0.18463357 8.03079553
-0.00047032 -0.00014923 -0.00046628
0.01205647 -0.00024156 0.00949693
19.50137437 11.35035588 8.13611804
0.00008616 -0.00010527 0.00109495
0.00120934 -0.01120791 -0.01145910
19.54391176 13.28286424 6.10228675
0.00053823 0.00059460 0.00090335
0.00416847 0.00594451 -0.01157733
-2.71334190 -2.17996121 -22.58740964
-0.00023848 0.00178311 -0.00049620
-0.00934569 -0.00464234 0.00024293
-4.83201744 -3.37417222 -24.24265138
0.00051283 0.00117952 0.00030617
-0.01709021 0.01229837 -0.01415502
-12.46074639 9.13715980 9.65174313
0.00000510 -0.00016238 0.00026076
-0.00158151 -0.00090301 0.00658162
-12.92796458 8.91343653 6.88808726
0.00048923 0.00059374 0.00083911
-0.00348722 -0.00094579 -0.00511571
-12.91969213 7.36027305 -4.61204017
-0.00077697 0.00039558 0.00004240
-0.00639077 0.00419649 -0.01462044
-11.79301967 9.14779406 -2.48098800
-0.00074522 0.00022972 -0.00017146
-0.00877672 -0.03005658 -0.01094854
-5.02892175 -17.34136582 19.78906025
0.00010556 0.00068907 0.00055004
0.01429400 0.01057557 0.01723346
-2.19515652 -16.59221805 19.35964083
-0.00053115 0.00122011 -0.00005068
0.01438719 -0.00067237 -0.00819379
-3.42604104 5.40754376 -7.15966410
0.00064352 0.00047178 -0.00053502
0.00013279 0.00037408 0.00146953
-4.05201033 8.27427454 -6.63705298
-0.00093188 -0.00098451 0.00020360
-0.01628753 0.03870416 0.04058940
-21.15438711 28.00551417 0.72539026
-0.00013579 -0.00016343 0.00125781
0.00081536 0.01740064 0.00725968
-18.72635908 29.69059424 1.05810461
0.00004235 0.00081973 -0.00113870
-0.04279433 0.00285646 0.00933656
8.33447391 2.71535128 6.50533283
-0.00114401 -0.00015123 -0.00013331
0.00348745 -0.01128234 -0.01429652
9.37221130 4.62407730 8.12874437
0.00090712 -0.00045236 0.00064504
-0.00787058 0.05384418 0.02687903
7.34193956 15.83049658 -14.10393256
0.00007588 0.00039400 0.00205875
-0.01780768 -0.02839515 0.02567299
7.10978936 13.05769594 -13.15390467
0.00150334 0.00115478 -0.00029210
0.02491647 -0.05451342 -0.01186596
13.04635826 5.06830755 -3.19018790
-0.00111935 0.00018551 0.00057679
0.00290419 0.00059253 -0.00299401
13.03576879 2.90406966 -1.32086875
-0.00055138 -0.00071598 0.00008555
0.03434476 0.01848083 -0.01580986
-4.90197261 9.61433126 -0.51050404
0.00098340 0.00003371 -0.00125137
-0.02650953 0.02249042 0.00130971
-7.78971829 10.04447661 -0.44325201
-0.00005554 -0.00080788 -0.00010932
-0.00796185 -0.00310772 0.00812000
4.70035448 13.17176728 2.08178562
0.00068298 0.00040368 -0.00040735
0.02007800 -0.00392012 0.00993929
7.54875787 12.34893221 2.71107004
-0.00002023 0.00026757 0.00027873
0.05487451 -0.04902946 -0.02108389
21.20145751 -13.04558934 -10.26623650
0.00018825 -0.00077210 0.00035095
-0.00311031 0.00671160 -0.01710153
22.63113147 -13.45811548 -12.77900003
0.00124641 0.00025493 -0.00042031
0.00273244 -0.01040627 -0.01482037
17.68208151 -5.91982910 1.88233005
-0.00130833 0.00061977 -0.00018795
0.01588081 0.02054887 -0.02449544
16.39050934 -8.08659403 2.90167643
-0.00009336 0.00020203 -0.00012559
-0.00167495 0.02724285 0.02097187
14.33373618 8.23788942 10.76108454
0.00012572 0.00020164 -0.00060576
0.01307580 -0.01855381 -0.01991533
16.70984810 6.54919485 10.78427765
0.00007742 0.00004861 -0.00045581
0.00236349 0.00029183 0.00478731
1.50076281 -13.40324516 15.25676812
-0.00097626 0.00015392 0.00162048
0.00859530 0.00939393 0.01426185
3.48453343 -12.36836137 17.34459001
-0.00080011 0.00017769 -0.00052408
-0.00378561 0.02162886 0.00440835
-3.47135234 -2.67588601 -9.86559569
-0.00008596 0.00051283 0.00023134
-0.00423703 -0.01085947 0.00520168
-1.91830893 -1.10904723 -11.76818124
0.00052227 -0.00100912 -0.00060876
-0.01614251 0.00749235 0.00806789
15.12108866 -7.87778257 -11.27647641
-0.00052327 -0.00083290 0.00094786
-0.01485490 0.00016253 -0.04524377
16.99578324 -7.06418481 -9.27173328
0.00031059 -0.00010539 0.00020855
0.00715909 0.00647372 0.01124711
7.49879128 -3.12864769 5.60499238
0.00035366 -0.00079440 0.00015393
0.02940157 -0.01148049 0.00596707
10.43817169 -4.05823255 5.06518743
0.00107958 -0.00105791 -0.00021521
-0.01082294 0.00892251 -0.00585453
-20.99765305 0.96359281 22.88327401
0.00041185 -0.00025025 0.00072370
0.00209616 -0.00500357 -0.01680015
-23.20349381 0.73416630 24.88882875
-0.00000830 0.00043872 -0.00092700
0.00655650 0.00168482 -0.00077055
25.79385380 -2.49041131 -7.92940050
0.00091267 -0.00015876 0.00012958
0.00815551 -0.01174193 0.00020004
23.65936378 -0.71872055 -7.34641721
-0.00014875 -0.00015408 -0.00026229
-0.00671633 0.00623470 -0.00054171
11.06838498 -12.81529654 -8.71070002
-0.00101416 0.00072736 0.00042889
-0.00699738 -0.00007454 0.01199856
12.91092480 -10.50760606 -9.46934462
0.00113106 -0.00002187 0.00030683
0.00173188 0.00146834 0.00490574
-5.65444297 -10.39729026 18.20490763
0.00045066 -0.00018222 -0.00007058
0.01642275 -0.00150998 -0.01222014
-5.98109675 -9.96122932 15.37936726
0.00037565 0.00029734 -0.00136443
-0.00797237 0.00854788 -0.01886605
9.22681856 1.18194187 -31.77866996
0.00004101 -0.00059364 -0.00003721
-0.01224293 0.00290714 0.01020257
6.77451750 2.74554566 -31.99609843
0.00093626 0.00016365 -0.00107139
-0.00434574 0.00132847 0.00056124
11.39426431 17.76181989 13.08191821
-0.00001628 -0.00090771 -0.00029318
0.00516281 0.01892238 -0.02154070
11.91621289 15.40835633 14.47900549
-0.00003631 0.00040036 -0.00054896
0.00348797 -0.00003703 0.00274094
31.02852090 5.45444244 -7.85410555
0.00042416 0.00039116 -0.00001574
-0.00590232 0.00690657 -0.00316628
28.92529081 7.35458360 -7.53182051
0.00012279 -0.00005822 -0.00048708
-0.07817424 0.00988198 -0.00542490
-8.39070722 4.82387485 5.65734219
0.00010574 -0.00004768 0.00003910
0.00798902 0.00398394 0.00048559
-10.73073678 10.13260291 3.35954806
0.00000320 -0.00004771 -0.00007666
-0.00797048 -0.00466399 0.00502770
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08249770
0.32923494
438.68905474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3841928509 (a.u.)
total exchange computation time: 2.7248349190 s
-154.2000404509
-931.41093640
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3832359579 (a.u.)
total exchange computation time: 2.7273881435 s
-154.2077976732
Anderson extrapolation: theta=1.3898354495 (1.3898354495)
-931.41121596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3817684523 (a.u.)
total exchange computation time: 2.7237730026 s
-154.2192451127
Anderson extrapolation: theta=0.0735232335 (0.0735232335)
-931.41139502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3815573456 (a.u.)
total exchange computation time: 2.7248299122 s
-154.2206477764
Anderson extrapolation: theta=2.4811359209 (2.0000000000)
-931.41140670
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3811076486 (a.u.)
total exchange computation time: 2.7231280804 s
-154.2235325596
Anderson extrapolation: theta=0.4914251778 (0.4914251778)
-931.41142264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3808985159 (a.u.)
total exchange computation time: 2.7241969109 s
-154.2247791169
Anderson extrapolation: theta=0.7739437450 (0.7739437450)
-931.41142739
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3807718578 (a.u.)
total exchange computation time: 2.7238471508 s
-154.2254307422
Anderson extrapolation: theta=0.5957959092 (0.5957959092)
-931.41142995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3807344860 (a.u.)
total exchange computation time: 2.7245719433 s
-154.2255075506
Anderson extrapolation: theta=0.5793014315 (0.5793014315)
-931.41143097
-122.743198 76.090211 -35.778635
566.843134 1066.495332 -418.308835
444.099937 1142.585543 -454.087470
1307.257399
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3807428715 (a.u.)
total exchange computation time: 2.7229750156 s
678.85195411
-1084.16429209
89.91772962
-388.80269436
-174.83338578
78.52185364
551.60419304
0.00000000
-931.41143138
5.38204556 -31.33833519 -3.76862680
-0.00035039 -0.00014767 -0.00009591
0.00052558 0.00397144 -0.00816589
-11.87042877 -0.94419255 -11.81835814
0.00003086 0.00018708 0.00007563
0.00547382 0.01916726 0.00104256
-37.86667039 2.39922193 3.20568030
0.00001051 0.00012907 -0.00020640
-0.00070961 -0.00712945 0.01285634
-10.00029875 -2.65562577 2.52542650
-0.00034909 0.00023160 0.00023577
0.05210131 -0.02392075 0.03520214
0.88783836 -0.37180511 8.93546052
0.00016020 -0.00034124 -0.00009479
0.01148721 0.01263247 0.01644853
-32.39529755 2.73208527 1.80466544
0.00005577 -0.00006452 0.00001293
0.02768158 -0.05078203 0.00128948
14.11201252 13.84644351 -14.56260813
0.00045186 0.00027967 -0.00019100
0.03661233 0.00503275 0.02541285
-4.33886545 7.01868595 3.98444117
-0.00040720 -0.00011375 -0.00023769
0.02533454 0.01193134 -0.04643570
5.91972091 16.66299394 -8.32153681
0.00026655 -0.00015387 0.00029125
-0.01445185 0.01150157 0.03703098
6.70804327 7.31063340 -20.98761968
-0.00027672 0.00011124 0.00020070
0.00904069 0.00809392 0.00334184
23.32220271 17.09251296 -2.07309820
-0.00010454 -0.00007819 0.00022413
0.02901398 0.00188021 -0.02378529
1.43275043 12.94563380 -20.85796107
0.00002458 -0.00009133 0.00008527
-0.00364966 -0.00366328 -0.01330159
10.45203063 -3.49096861 -1.69042179
-0.00003710 0.00004420 -0.00023982
-0.02838662 -0.06579298 -0.02865375
-17.77107428 -2.69811542 4.77347506
0.00017524 -0.00016259 0.00005778
-0.01087604 -0.03366925 0.00112547
-15.23641321 0.07500402 18.51594290
0.00022863 -0.00014427 -0.00025427
-0.00205958 -0.00868396 -0.01545131
2.52101816 2.82100522 -2.81655133
-0.00057694 0.00011626 0.00022596
-0.01706635 0.00397810 0.00662333
23.47412683 -7.95094109 -9.75155929
0.00007911 -0.00024569 -0.00027665
0.01309456 0.01322645 0.01204379
1.59834872 -7.84865528 6.76306045
0.00031875 0.00014873 0.00010077
-0.00651010 -0.00173616 -0.02994265
-3.52734180 -0.93318414 -17.96077717
0.00045361 0.00041574 0.00025514
-0.00159778 0.01981314 -0.00365860
3.04530921 4.24278763 -10.51433271
-0.00048307 -0.00006560 0.00029010
0.00365445 -0.00870931 0.02571123
-2.63815099 16.85702305 13.98516372
0.00002637 0.00011420 -0.00009080
0.01176689 0.00716622 0.02221922
-2.26453091 2.13149535 -7.02329703
0.00012247 0.00011903 0.00017071
0.01012816 -0.00830854 0.02650217
-6.80531764 -2.03745606 -4.54237498
-0.00005533 -0.00001552 -0.00016764
0.01085790 -0.02687184 -0.00527191
0.35583267 28.32993363 7.35402554
0.00004579 0.00012002 0.00007340
0.00838694 -0.01122170 -0.02673649
10.15078195 -9.15411588 -1.57536763
0.00014693 -0.00007562 -0.00024878
-0.02880024 0.00183280 -0.02793852
-6.94852472 0.58758285 7.72590159
-0.00018967 0.00039194 0.00035094
0.01074786 0.00642069 0.01321921
18.85608368 11.62849291 6.41554772
0.00017246 -0.00018207 0.00011394
-0.00070544 0.00701666 0.02637646
-3.38645614 -3.75779133 -23.23596482
-0.00021601 0.00005768 0.00000931
0.02416019 0.00568643 0.01702755
-13.64418159 8.35278955 8.49174821
-0.00000256 0.00005445 0.00021938
0.00575079 0.00166336 -0.00354405
-12.27008453 7.33974293 -2.90270195
-0.00023163 -0.00026151 -0.00035850
0.02029343 0.03316061 0.03727110
-3.52924189 -16.44752286 20.54989300
-0.00042396 -0.00034343 0.00004432
-0.02419982 -0.00054239 0.00347931
-3.59150009 7.11066782 -7.83634826
-0.00044761 0.00035060 0.00008238
0.02512545 -0.03781941 -0.05446221
-20.68501288 29.71956639 1.31588172
0.00008837 0.00019192 -0.00005901
0.04351482 -0.01935592 -0.01149124
9.88310251 3.11205536 7.41172613
0.00006500 0.00003325 -0.00010683
-0.00266582 -0.03444674 -0.02000502
6.40439168 14.61351685 -12.89223041
0.00012557 0.00023796 0.00031385
-0.00114764 0.07691696 -0.01199217
14.16119452 3.66874574 -2.72766470
0.00011679 -0.00034691 0.00010101
-0.04096443 -0.01292797 0.01618786
-6.23588926 10.96485931 -0.32608645
0.00019755 -0.00015435 0.00009784
0.03819769 -0.02123263 -0.01506928
6.25645261 13.36918928 3.13871582
0.00011309 0.00042301 0.00007246
-0.07679582 0.05642441 0.01610345
21.83852800 -12.15579725 -11.78905346
-0.00015372 0.00018277 -0.00010508
-0.00824245 -0.00523706 0.03800904
16.82900244 -6.29567640 3.39818015
0.00033754 0.00002576 -0.00010902
-0.01758383 -0.04367117 0.00192939
15.37321593 7.05634321 9.66318810
0.00013493 -0.00030257 -0.00031415
-0.02217920 0.01789891 0.01127477
3.00638510 -13.70847482 16.24835686
-0.00000497 0.00004618 -0.00042579
-0.00120668 -0.03254168 -0.01771393
-3.59237759 -1.15640947 -10.87269259
-0.00010119 -0.00035040 -0.00004597
0.02292641 0.01635437 -0.01445234
15.34166067 -7.80959023 -9.52910865
-0.00008529 0.00019483 -0.00017975
-0.00204767 -0.00564244 0.04484789
9.19141768 -3.71058538 6.36613188
0.00027342 -0.00044116 0.00008337
-0.03242801 -0.00092832 0.00724257
-21.61602525 1.57817874 24.44018510
-0.00025522 -0.00004725 -0.00010138
-0.00427065 0.01195222 0.02338440
24.89866425 -1.74807079 -6.52750472
-0.00007049 0.00000902 -0.00013693
-0.00155033 0.00077506 -0.00220197
11.88118598 -11.89420258 -10.04616952
0.00028671 -0.00020769 -0.00022335
0.00619794 -0.00114509 -0.01070909
-4.71792773 -10.42818593 16.56895972
0.00014878 -0.00036313 0.00015665
-0.00863158 -0.00835154 0.03093362
8.22073467 2.51464107 -30.91588373
0.00001035 0.00033485 -0.00046947
0.01012851 -0.01592270 -0.00213749
10.98151889 16.95870078 14.61717568
0.00019138 -0.00031402 -0.00020692
-0.00766318 -0.00476266 0.02177938
30.62748861 7.24629955 -7.44660807
-0.00003144 -0.00015737 0.00034855
0.07924229 -0.01084776 -0.00014301
5.56612468 -30.11740148 -5.14000913
-0.00077012 -0.00048788 0.00065655
0.00466833 -0.00359182 -0.00463965
4.06920842 -30.57192485 -2.78713633
0.00037614 0.00103092 0.00054830
-0.00931597 0.00236653 0.01190844
-12.66097919 -1.87079359 -13.26452842
-0.00004734 -0.00040598 0.00040959
0.01020555 0.00461690 0.00445665
-11.71320163 0.86740489 -12.37746928
-0.00029496 -0.00011349 -0.00037271
-0.00418554 -0.02953565 -0.01078076
-37.93133995 4.14911823 2.67676851
0.00074963 0.00147879 0.00046374
-0.00678563 0.00547276 -0.00500895
-39.59200317 1.80719277 3.42811931
0.00038121 -0.00073931 0.00032610
0.00360254 0.00334553 -0.00442986
-10.03397025 -3.49643720 0.87636801
-0.00091918 0.00007676 0.00013948
-0.00293004 0.00918946 0.00461911
-8.51767016 -3.49381840 3.49480760
-0.00006268 0.00000072 -0.00010969
-0.03153426 0.02110230 -0.03072704
0.46550137 -0.67057607 7.22772964
0.00141529 0.00030466 0.00047726
-0.00409041 -0.00537774 -0.02391665
1.86134789 1.19788630 8.89009810
-0.00019804 0.00014455 -0.00040596
-0.00780978 -0.01168771 0.00561453
-32.64780182 0.83046818 2.05126759
-0.00105792 -0.00022684 -0.00094094
0.00824391 0.02847167 0.00042398
-34.03339783 3.35357288 1.64034888
0.00017766 -0.00019630 -0.00074171
-0.03646698 0.01271957 0.00017836
12.71776209 13.01248153 -15.30174807
-0.00097213 -0.00013611 -0.00041468
-0.00940149 -0.01713473 -0.01152202
15.63224724 12.71019409 -14.55352818
-0.00042582 0.00020640 0.00034544
-0.02489502 0.01027754 -0.01813488
-3.95984836 8.80444255 4.34690423
-0.00024750 -0.00004706 -0.00030802
-0.00726309 -0.00677302 0.01269650
-3.66356230 6.97819125 2.16702051
-0.00061578 -0.00048213 0.00061819
-0.01742594 -0.01463220 0.04010950
6.12993031 15.76579939 -9.86219321
0.00006194 -0.00004583 0.00053207
0.00593317 -0.01111934 -0.03119853
7.62376730 17.02033890 -7.74841248
-0.00006361 0.00019548 0.00029859
0.00716917 -0.00211635 -0.00218300
7.61114915 7.31144794 -22.61454239
0.00002207 0.00027891 -0.00060760
-0.00029472 -0.00518454 -0.00017431
7.80868380 8.41796457 -19.94872437
-0.00005431 0.00126180 -0.00082676
-0.00550569 -0.00914428 -0.00425437
21.61199216 17.60718500 -2.48432570
-0.00003545 -0.00082601 0.00034982
-0.00470251 -0.00058266 0.00743978
24.38726954 17.79899028 -3.44274755
-0.00043459 0.00001847 -0.00047861
-0.01379473 -0.00324137 0.01402357
1.09190543 11.14800123 -21.09397628
-0.00024026 0.00045550 0.00131809
-0.00137628 0.00051869 0.00098914
0.65317995 13.83884809 -22.27677081
0.00035288 0.00027101 0.00035539
0.00684986 -0.00081666 0.00972263
9.85125128 -5.40994273 -1.72002086
0.00060699 0.00000385 -0.00008982
0.02370866 0.05458240 0.00151737
9.76026372 -2.82585712 -3.27679544
0.00122792 -0.00062820 -0.00059673
-0.00000013 -0.00265713 0.01422000
-18.62462888 -4.29578822 5.31860350
0.00078012 -0.00000895 0.00024982
0.00640197 0.01892381 0.00559627
-17.38558546 -3.23470198 3.07510489
-0.00101464 -0.00014855 0.00013196
0.00188547 0.00760041 -0.00804628
-15.39161343 0.43846881 16.71814131
0.00012026 0.00038388 0.00025831
0.00101029 -0.00069725 0.00393373
-13.79049988 1.02770374 18.99867016
-0.00044868 0.00000295 0.00034448
0.00680904 0.00895773 0.00719616
3.12192943 3.99487296 -4.04636798
0.00015560 0.00025054 0.00084576
0.00247822 0.00847252 -0.00396118
3.33193295 1.26624595 -3.24847165
0.00056918 0.00121785 -0.00064115
0.01112791 -0.00809226 -0.00249989
23.32254823 -9.64519529 -10.38634983
0.00068578 0.00042625 0.00000398
-0.01102303 -0.01508355 -0.00763921
24.95125763 -7.97440725 -8.67960485
0.00064454 -0.00000702 0.00005779
-0.00013839 0.00697597 -0.00212645
2.40225951 -9.17262727 5.76930944
-0.00007609 -0.00035781 -0.00005239
-0.00412743 0.01158718 -0.00007037
2.11805042 -8.21759519 8.42336072
-0.00110883 0.00037244 0.00108234
0.00988194 0.00399199 0.02440390
-3.40860614 -2.71514103 -17.93902021
0.00048182 -0.00026785 -0.00044833
-0.00265496 -0.02112826 0.00282041
-5.08210025 -0.49044265 -17.03126240
-0.00005084 -0.00051247 0.00026055
0.00828455 -0.00072728 0.00311577
2.01964227 4.80616397 -11.84530352
0.00051643 0.00040943 0.00000460
-0.01000527 0.01431962 -0.04025326
1.74025853 4.26368618 -9.24132318
-0.00009043 0.00067590 0.00028611
0.00567506 -0.00789374 0.01304728
-0.99472289 16.15657411 13.41485082
-0.00063763 -0.00092452 0.00126794
-0.00510129 -0.00657970 -0.00158982
-2.40025755 17.09620737 15.81729276
0.00040659 -0.00025981 0.00077333
-0.00839704 -0.00475371 -0.02103712
-1.96782674 1.21164413 -5.43691303
-0.00070241 0.00054235 0.00021306
-0.00248828 0.01448011 -0.01295195
-2.98398490 0.85202405 -8.12046534
-0.00102246 -0.00066681 -0.00030719
-0.00612421 -0.00333404 -0.01523878
-8.30089888 -3.07903305 -4.48650253
-0.00126141 -0.00019959 0.00097959
-0.00300657 -0.00178681 -0.00191342
-7.32802572 -0.45647532 -3.93012515
-0.00021769 0.00004041 0.00001973
-0.00872405 0.03032514 0.00740346
1.23430774 28.20200110 5.71331520
0.00081554 -0.00014415 -0.00064757
0.00169977 0.00522366 0.01438584
-1.34676287 28.17322371 6.68365444
-0.00161359 -0.00067055 -0.00003050
-0.00909668 0.00325406 0.00499181
8.31676523 -9.36522020 -1.99051146
0.00009757 -0.00041861 0.00039022
0.01848477 0.00646975 -0.00359755
10.23535573 -9.79191329 0.10195824
0.00072643 0.00078048 0.00011087
0.01159698 -0.00515021 0.02542945
-5.81696584 0.43886050 9.28802752
0.00003271 -0.00006814 -0.00071855
-0.02699800 -0.01128546 -0.02640026
-8.59905205 -0.18687945 8.02409233
-0.00041614 -0.00014821 -0.00042681
0.01446411 0.00073957 0.00982421
19.50270390 11.34843345 8.15219122
0.00008756 -0.00015026 0.00103795
-0.00052717 -0.01081756 -0.01644662
19.55211301 13.29196536 6.11548229
0.00055095 0.00060846 0.00085741
0.00205783 0.00083909 -0.01091211
-2.71720548 -2.15335683 -22.59484512
-0.00028110 0.00174662 -0.00050030
-0.01151586 -0.01322108 -0.00225375
-4.82484863 -3.35610250 -24.23849265
0.00043568 0.00122875 0.00024278
-0.02067525 0.01179962 -0.01687181
-12.46071835 9.13469640 9.65585626
-0.00000126 -0.00016606 0.00028923
-0.00153388 -0.00089497 0.00735161
-12.92073305 8.92231364 6.90051718
0.00047498 0.00058969 0.00081488
-0.00348816 -0.00103476 -0.00674765
-12.93154245 7.36633539 -4.61185220
-0.00080388 0.00041150 -0.00001982
-0.00678519 0.00359715 -0.01583619
-11.80446688 9.15031885 -2.48389533
-0.00078075 0.00010361 -0.00021629
-0.00861474 -0.03167379 -0.01099904
-5.02690039 -17.33070564 19.79783891
0.00015497 0.00072567 0.00061421
0.00989239 0.00734081 0.01418134
-2.20268291 -16.57393701 19.35862954
-0.00047187 0.00121687 -0.00008572
0.01463258 -0.00091168 -0.00895873
-3.41638419 5.41463194 -7.16764437
0.00064395 0.00046924 -0.00052795
0.00007923 -0.00161697 0.00199362
-4.06648758 8.26069294 -6.63275525
-0.00100197 -0.00081862 0.00037775
-0.01802289 0.04249955 0.04465857
-21.15639902 28.00359591 0.74447984
-0.00013187 -0.00009309 0.00128655
0.00110649 0.01703241 0.00680771
-18.72703512 29.70297773 1.04131017
-0.00013289 0.00082991 -0.00109939
-0.04298856 0.00212496 0.00990611
8.31742056 2.71273718 6.50289506
-0.00111674 -0.00019211 -0.00018396
0.00986515 -0.00873037 -0.01049696
9.38557691 4.61894186 8.13924369
0.00087282 -0.00022923 0.00075623
-0.00892105 0.05537974 0.02754698
7.34253212 15.83553650 -14.07226467
0.00000672 0.00028502 0.00215629
-0.01604887 -0.02495251 0.02207504
7.13310302 13.07334725 -13.15864980
0.00160579 0.00093088 -0.00034019
0.02523057 -0.05508964 -0.01167411
13.02965701 5.07110842 -3.18162779
-0.00109832 0.00017753 0.00056737
0.00738867 -0.00449929 -0.00161818
13.02855045 2.89389629 -1.32007000
-0.00040777 -0.00063922 0.00001863
0.03595626 0.01909165 -0.01694814
-4.88803388 9.61552616 -0.52923446
0.00087051 0.00012850 -0.00124431
-0.02875101 0.02390705 0.00214802
-7.79079536 10.03226320 -0.44464302
-0.00007941 -0.00081628 -0.00007573
-0.00372184 -0.00100342 0.00832470
4.71121438 13.17770233 2.07597994
0.00076216 0.00038752 -0.00036724
0.01868151 -0.00398994 0.00969583
7.55013596 12.35144328 2.71460491
0.00020306 0.00006826 0.00019365
0.05442607 -0.04853011 -0.02056544
21.20418595 -13.05696513 -10.26149625
0.00017848 -0.00074023 0.00027394
-0.00167295 0.00888547 -0.02059745
22.64991132 -13.45461039 -12.78575889
0.00125141 0.00022034 -0.00047447
-0.00028359 -0.00652597 -0.01168946
17.66294317 -5.90990283 1.87876022
-0.00123917 0.00070573 -0.00029626
0.01797590 0.02152746 -0.02852453
16.38905766 -8.08272881 2.90043516
-0.00009945 0.00031199 -0.00004000
-0.00130738 0.02658231 0.02092886
14.33602259 8.24034547 10.75138785
0.00017968 0.00012450 -0.00068709
0.01333947 -0.01920810 -0.01989637
16.71108176 6.54993289 10.77758718
0.00008947 0.00004884 -0.00043403
0.00353890 -0.00017779 0.00587461
1.48638237 -13.40064849 15.28151228
-0.00094526 0.00019118 0.00167473
0.00657756 0.00884249 0.01229638
3.47241582 -12.36503330 17.33686385
-0.00081355 0.00026678 -0.00050312
-0.00279698 0.02198370 0.00585177
-3.47277159 -2.66852634 -9.86196622
-0.00010292 0.00046194 0.00025645
-0.00406566 -0.01405144 0.00708897
-1.91096952 -1.12395443 -11.77706537
0.00044893 -0.00097780 -0.00057152
-0.01976027 0.00784063 0.01016254
15.11278439 -7.89027108 -11.26364487
-0.00058452 -0.00083251 0.00074477
-0.01512849 0.00002566 -0.05417294
17.00066147 -7.06556733 -9.26826037
0.00033588 -0.00008014 0.00025211
0.00522201 0.00588620 0.01007336
7.50499712 -3.14091543 5.60748424
0.00047244 -0.00084047 0.00017644
0.02874218 -0.01107229 0.00505056
10.45403369 -4.07382775 5.06177984
0.00102595 -0.00101834 -0.00023063
-0.01542880 0.01044758 -0.00169174
-20.99141105 0.95968571 22.89361473
0.00042342 -0.00027301 0.00064880
0.00356595 -0.00613678 -0.01986445
-23.20341735 0.74079874 24.87490009
0.00001124 0.00044176 -0.00092730
0.00300462 -0.00019557 0.00062361
25.80779370 -2.49315254 -7.92745072
0.00094204 -0.00020365 0.00013429
0.00622251 -0.01022912 0.00210487
23.65692670 -0.72084068 -7.35036820
-0.00017530 -0.00012937 -0.00026509
-0.00627827 0.00585825 -0.00082505
11.05295812 -12.80438847 -8.70389903
-0.00103832 0.00073095 0.00047044
-0.00482935 0.00183411 0.00833973
12.92794374 -10.50788915 -9.46459187
0.00113095 -0.00002472 0.00032281
-0.00178255 -0.00286112 0.00291958
-5.64717976 -10.40006985 18.20347454
0.00051361 -0.00018755 -0.00011813
0.01439104 -0.00110007 -0.01105829
-5.97570633 -9.95650731 15.35832267
0.00035471 0.00032765 -0.00142749
-0.00227518 0.00628843 -0.01199984
9.22705855 1.17312641 -31.77891549
-0.00001115 -0.00057791 0.00000677
-0.01328878 0.00478861 0.01132694
6.78842821 2.74804110 -32.01215215
0.00091284 0.00017044 -0.00107227
-0.00711718 0.00199619 -0.00098936
11.39417829 17.74878403 13.07686048
0.00000491 -0.00082743 -0.00038398
0.00521252 0.02037686 -0.02290862
11.91577516 15.41436066 14.47085515
-0.00001650 0.00038951 -0.00053698
0.00621041 -0.00527851 0.00311887
31.03470238 5.46052143 -7.85443873
0.00040041 0.00041525 -0.00002935
-0.00572056 0.00488886 -0.00349609
28.92473720 7.35401314 -7.53929287
-0.00019555 -0.00001836 -0.00051048
-0.07765587 0.00962654 -0.00603384
-8.38909964 4.82317040 5.65792994
0.00010859 -0.00004627 0.00003926
0.00791546 0.00385471 0.00044500
-10.73070259 10.13187919 3.35840698
0.00000134 -0.00004876 -0.00007550
-0.00805791 -0.00442212 0.00497075
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08247887
0.32895251
438.31272841
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3753580164 (a.u.)
total exchange computation time: 2.7909641266 s
-154.1715189844
-931.41149761
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3745413097 (a.u.)
total exchange computation time: 2.7906908989 s
-154.1785230075
Anderson extrapolation: theta=1.3347007702 (1.3347007702)
-931.41176353
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3733503603 (a.u.)
total exchange computation time: 2.7900259495 s
-154.1884936096
Anderson extrapolation: theta=0.0499230969 (0.0499230969)
-931.41191856
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3732105306 (a.u.)
total exchange computation time: 2.7899231911 s
-154.1895638760
Anderson extrapolation: theta=1.9231060304 (1.9231060304)
-931.41192399
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3729169985 (a.u.)
total exchange computation time: 2.7894608974 s
-154.1917755622
Anderson extrapolation: theta=0.2231032254 (0.2231032254)
-931.41192926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3728448881 (a.u.)
total exchange computation time: 2.7917509079 s
-154.1922844731
Anderson extrapolation: theta=1.8969942957 (1.8969942957)
-931.41193020
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3727296732 (a.u.)
total exchange computation time: 2.7899141312 s
-154.1930488310
Anderson extrapolation: theta=0.2830211867 (0.2830211867)
-931.41193123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3727194957 (a.u.)
total exchange computation time: 2.7896449566 s
-154.1930642677
Anderson extrapolation: theta=1.2917076418 (1.2917076418)
-931.41193145
-122.730528 76.105021 -35.794427
566.855721 1066.529208 -418.283130
444.125192 1142.634229 -454.077557
1307.305089
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0577034884
ExchangeOperator: pair fraction: ispin=0: 0.1404218496
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3727235133 (a.u.)
total exchange computation time: 2.7908651829 s
678.72231339
-1083.89816708
89.93357140
-388.98473186
-174.81219388
78.37519615
551.60419304
0.00000000
-931.41193155
5.37679173 -31.34053493 -3.77009689
-0.00035092 -0.00014613 -0.00009854
-0.00258341 0.00200295 -0.00206191
-11.86994480 -0.94131237 -11.81721973
0.00003354 0.00019645 0.00007616
0.00496374 0.01727650 0.00103844
-37.86651542 2.40113042 3.20263382
0.00001048 0.00012706 -0.00020024
0.00058788 -0.00065542 0.01110964
-10.00533407 -2.65224406 2.52909886
-0.00032233 0.00021906 0.00025349
0.05193019 -0.02482105 0.03369007
0.89028562 -0.37687493 8.93410212
0.00016681 -0.00033393 -0.00008460
0.01422651 0.01579001 0.02318707
-32.39435415 2.73092156 1.80486436
0.00006966 -0.00009088 0.00001352
0.02631252 -0.05173717 0.00100164
14.11893161 13.85065800 -14.56537508
0.00046719 0.00028145 -0.00017922
0.02299022 0.00190000 0.02040907
-4.34487578 7.01702570 3.98069672
-0.00039456 -0.00010753 -0.00026026
0.02385006 0.01227927 -0.04134786
5.92366341 16.66073018 -8.31702528
0.00025862 -0.00014776 0.00031050
-0.01638641 0.01227285 0.03783368
6.70392737 7.31233324 -20.98459635
-0.00027107 0.00011574 0.00020124
0.01291920 0.00940280 -0.00122662
23.32074656 17.09134732 -2.06982795
-0.00008886 -0.00007723 0.00021163
0.03196860 0.00187836 -0.02483842
1.43310510 12.94424970 -20.85673336
0.00002323 -0.00009211 0.00007901
-0.00160121 0.00065324 -0.01102826
10.45136457 -3.49055937 -1.69412965
-0.00005114 0.00001035 -0.00025383
-0.02619234 -0.06583491 -0.02583664
-17.76848760 -2.70068410 4.77434605
0.00016976 -0.00017929 0.00005873
-0.01042652 -0.03128017 0.00259102
-15.23299169 0.07280650 18.51206930
0.00022708 -0.00014911 -0.00026163
-0.00397773 -0.01015450 -0.01319738
2.51229815 2.82276442 -2.81313635
-0.00058565 0.00011847 0.00022926
-0.01678153 0.00462357 0.00619460
23.47536394 -7.95457535 -9.75566266
0.00008699 -0.00023750 -0.00026915
0.01756928 0.01858932 0.01715059
1.60310479 -7.84643100 6.76445657
0.00031579 0.00014749 0.00008615
-0.00497180 -0.00308323 -0.02691826
-3.52054384 -0.92687165 -17.95696417
0.00045245 0.00042428 0.00025350
-0.00291283 0.01341051 -0.00271148
3.03807723 4.24177008 -10.50988197
-0.00048049 -0.00007020 0.00030314
0.00637886 -0.00917629 0.02496706
-2.63771004 16.85876377 13.98388736
0.00003195 0.00011811 -0.00007750
0.00994124 0.00803506 0.02951479
-2.26265486 2.13324874 -7.02063414
0.00012655 0.00011348 0.00018232
0.00575279 -0.01326764 0.01862868
-6.80610564 -2.03779250 -4.54490993
-0.00005182 -0.00003003 -0.00017004
0.00275886 -0.02955611 -0.00404617
0.35655193 28.33169071 7.35502336
0.00004829 0.00011385 0.00005753
0.00131055 -0.01277466 -0.03498425
10.15287486 -9.15524304 -1.57920715
0.00013224 -0.00007480 -0.00026284
-0.02833016 0.00134509 -0.02670360
-6.95132829 0.59348668 7.73121669
-0.00018506 0.00039505 0.00035674
0.00717795 0.00568451 0.00931412
18.85866788 11.62578898 6.41735858
0.00017304 -0.00017731 0.00012838
0.00296772 0.01147729 0.02978250
-3.38960312 -3.75690412 -23.23575942
-0.00020248 0.00006270 0.00001910
0.02845278 0.01380171 0.02101616
-13.64419787 8.35361267 8.49502529
0.00000038 0.00005531 0.00021775
0.00570458 0.00170574 -0.00279377
-12.27348070 7.33594819 -2.90793561
-0.00022120 -0.00024412 -0.00033907
0.02026566 0.03447349 0.03828097
-3.53569460 -16.45267635 20.55057126
-0.00043486 -0.00034274 0.00004700
-0.01820777 0.00322861 0.00695028
-3.59811736 7.11578086 -7.83532263
-0.00043441 0.00033115 0.00005376
0.02620899 -0.03777731 -0.05682948
-20.68351955 29.72237048 1.31495228
0.00011047 0.00018227 -0.00006483
0.04242559 -0.01814354 -0.01115146
9.88406720 3.11242123 7.41004650
0.00006218 0.00001512 -0.00011793
-0.00828753 -0.03603819 -0.02317505
6.40627077 14.61738288 -12.88756887
0.00012464 0.00027570 0.00030857
-0.00245557 0.06983972 -0.00857293
14.16278831 3.66349220 -2.72608707
0.00009433 -0.00035241 0.00010916
-0.04634682 -0.00847309 0.01548157
-6.23277872 10.96246210 -0.32467700
0.00021649 -0.00016608 0.00008988
0.03546504 -0.02434894 -0.01587582
6.25785281 13.37575213 3.13986484
0.00007511 0.00045122 0.00008050
-0.07091302 0.05325090 0.01517659
21.83619037 -12.15307584 -11.79048306
-0.00015750 0.00017855 -0.00008568
-0.00643025 -0.01117566 0.03742262
16.83399772 -6.29545850 3.39655229
0.00032815 0.00000356 -0.00010724
-0.01893391 -0.04265944 0.00500179
15.37515431 7.05187376 9.65851941
0.00012329 -0.00029323 -0.00030869
-0.02309863 0.01841451 0.00995776
3.00630588 -13.70790767 16.24190175
-0.00000529 0.00002973 -0.00043458
-0.00004193 -0.03143804 -0.01647558
-3.59380707 -1.16160243 -10.87343788
-0.00008866 -0.00034130 -0.00005427
0.02582034 0.01906056 -0.01783548
15.34037343 -7.80668949 -9.53163186
-0.00008567 0.00019220 -0.00015465
0.00057975 -0.00460445 0.05275474
9.19539390 -3.71720641 6.36741034
0.00025821 -0.00044204 0.00008644
-0.02673302 -0.00249223 0.00470408
-21.61987009 1.57751614 24.43875459
-0.00025670 -0.00004035 -0.00008914
-0.00145165 0.01486276 0.02419845
24.89760086 -1.74793242 -6.52956713
-0.00007094 0.00000912 -0.00013848
-0.00017618 -0.00039519 -0.00385353
11.88551054 -11.89732242 -10.04956108
0.00029016 -0.00020775 -0.00022733
0.00722872 0.00092535 -0.00475553
-4.71572928 -10.43366513 16.57142886
0.00014346 -0.00036687 0.00017029
-0.01207170 -0.00617784 0.02210846
8.22092900 2.51960245 -30.92293402
0.00001642 0.00032609 -0.00047045
0.01346136 -0.01815536 -0.00166184
10.98436008 16.95397205 14.61415583
0.00018681 -0.00031536 -0.00019570
-0.01012662 -0.00043327 0.02187695
30.62732262 7.24389722 -7.44138043
0.00000790 -0.00016211 0.00034857
0.07377126 -0.00759428 0.00023866
5.55471594 -30.12482972 -5.13030306
-0.00074851 -0.00049515 0.00062784
0.00590965 0.00003034 -0.00941195
4.07456510 -30.55638854 -2.77854699
0.00034191 0.00103704 0.00059472
-0.00743998 0.00062952 0.01081842
-12.66137656 -1.87674184 -13.25824805
-0.00000534 -0.00038651 0.00042800
0.01035144 0.00491528 0.00455595
-11.71775427 0.86479751 -12.38339031
-0.00031157 -0.00023108 -0.00041735
-0.00394347 -0.02802885 -0.01107254
-37.92030345 4.17146775 2.68357105
0.00071980 0.00148576 0.00044757
-0.00781683 -0.00206175 -0.00290231
-39.58617462 1.79620565 3.43287505
0.00039553 -0.00072299 0.00030723
0.00340575 0.00464080 -0.00480471
-10.04784773 -3.49500414 0.87860178
-0.00093064 0.00011540 0.00016010
-0.00267824 0.00972093 0.00547302
-8.51957665 -3.49316091 3.49222067
-0.00019152 0.00008739 -0.00023501
-0.03153509 0.02132090 -0.03061546
0.48660535 -0.66617100 7.23415572
0.00139375 0.00027786 0.00036324
-0.00645161 -0.00773810 -0.03189724
1.85813794 1.19969644 8.88418069
-0.00023113 0.00009486 -0.00038038
-0.00838437 -0.01263829 0.00690820
-32.66341801 0.82793800 2.03716654
-0.00102186 -0.00010949 -0.00093774
0.00940668 0.02897534 0.00114211
-34.03185036 3.35101809 1.62922869
0.00002873 -0.00014284 -0.00074119
-0.03643806 0.01345288 0.00007769
12.70289211 13.00991476 -15.30832138
-0.00099019 -0.00019453 -0.00045134
0.00055911 -0.01145883 -0.00642086
15.62509710 12.71360495 -14.54890226
-0.00052050 0.00024302 0.00027088
-0.02145111 0.00764946 -0.01836236
-3.96378347 8.80352916 4.34267299
-0.00027733 -0.00007545 -0.00025619
-0.00733927 -0.00712656 0.01267454
-3.67333295 6.97051099 2.17752241
-0.00068370 -0.00054161 0.00077239
-0.01582083 -0.01448659 0.03537319
6.13104128 15.76477114 -9.85516820
0.00008698 -0.00009286 0.00040192
0.00632180 -0.01189900 -0.03251157
7.62303287 17.02320631 -7.74400056
-0.00003156 0.00018692 0.00029043
0.00852019 -0.00207457 -0.00181140
7.61147118 7.31547267 -22.62366166
0.00001550 0.00025661 -0.00059933
-0.00291923 -0.00573015 0.00422237
7.80770038 8.43661129 -19.96125610
-0.00007855 0.00122218 -0.00084392
-0.00635839 -0.01024932 -0.00414585
21.61131632 17.59477707 -2.47885046
-0.00005877 -0.00082676 0.00037943
-0.00671323 0.00021397 0.00705453
24.38032801 17.79916799 -3.44949701
-0.00049290 0.00000407 -0.00041824
-0.01475191 -0.00380870 0.01553076
1.08825932 11.15484968 -21.07417469
-0.00024829 0.00044958 0.00131951
-0.00255169 -0.00341939 -0.00028976
0.65868302 13.84288825 -22.27114196
0.00037911 0.00026734 0.00039293
0.00598996 -0.00098206 0.00864941
9.86108268 -5.40821238 -1.72132164
0.00070217 0.00022473 -0.00008413
0.02287892 0.05353674 0.00126866
9.77868258 -2.83536153 -3.28531060
0.00122520 -0.00063677 -0.00054371
-0.00133415 -0.00153638 0.01173199
-18.61273089 -4.29534257 5.32252233
0.00080352 0.00006442 0.00027484
0.00505187 0.01699032 0.00664757
-17.40074726 -3.23669732 3.07683773
-0.00100530 -0.00011825 0.00009424
0.00268689 0.00722906 -0.01041755
-15.38977857 0.44420557 16.72213651
0.00012403 0.00038216 0.00026853
0.00083515 -0.00014216 0.00106701
-13.79702141 1.02802251 19.00405787
-0.00041713 0.00004194 0.00037507
0.00863373 0.01012832 0.00777614
3.12433937 3.99889065 -4.03380300
0.00016492 0.00028824 0.00082931
0.00208508 0.00998362 -0.00408962
3.34081162 1.28426576 -3.25816553
0.00061505 0.00117981 -0.00065027
0.01132633 -0.01052844 -0.00196129
23.33249713 -9.63926379 -10.38652417
0.00063946 0.00035316 -0.00003087
-0.01164953 -0.02069403 -0.00941984
24.96092142 -7.97429878 -8.67880317
0.00063587 0.00002169 0.00004322
-0.00410157 0.00707733 -0.00500516
2.40099167 -9.17763942 5.76852136
-0.00009388 -0.00030799 -0.00004843
-0.00458039 0.01280269 0.00201111
2.10172072 -8.21188624 8.44034365
-0.00107083 0.00038912 0.00117173
0.00872180 0.00417181 0.01935263
-3.40146026 -2.71980618 -17.94565872
0.00047065 -0.00034151 -0.00043724
-0.00281169 -0.01493231 0.00260615
-5.08260895 -0.49815193 -17.02725873
-0.00001471 -0.00051506 0.00027177
0.00939890 -0.00054324 0.00237885
2.02708213 4.81274416 -11.84646798
0.00047385 0.00046849 -0.00016025
-0.01083749 0.01459071 -0.04044064
1.73907600 4.27358283 -9.23663175
-0.00007065 0.00064388 0.00034089
0.00400596 -0.00778082 0.01376921
-1.00444373 16.14250466 13.43382120
-0.00065213 -0.00095322 0.00125666
-0.00199450 -0.00746950 -0.00393286
-2.39441595 17.09216459 15.82824809
0.00036933 -0.00027966 0.00067737
-0.00984320 -0.00496291 -0.02593707
-1.97843917 1.22022304 -5.43411402
-0.00071148 0.00059878 0.00016419
-0.00195194 0.01314357 -0.01096841
-2.99950945 0.84191975 -8.12554014
-0.00103940 -0.00066744 -0.00035849
-0.00216708 0.00302531 -0.00987552
-8.31991222 -3.08208165 -4.47186724
-0.00125870 -0.00019791 0.00097099
0.00433309 0.00261162 -0.00230027
-7.33155834 -0.45493998 -3.92960233
-0.00025150 0.00016142 0.00004842
-0.00782673 0.02891166 0.00664020
1.24659293 28.19999893 5.70404254
0.00081337 -0.00012182 -0.00057791
-0.00276384 0.00570902 0.01970969
-1.37124547 28.16326521 6.68334987
-0.00162673 -0.00065468 -0.00000395
0.00266477 0.00451268 0.00800696
8.31879525 -9.37130106 -1.98476847
0.00017225 -0.00039191 0.00037510
0.01807233 0.00659696 -0.00380039
10.24660752 -9.78036392 0.10440049
0.00077375 0.00076011 0.00021270
0.01156677 -0.00482237 0.02441624
-5.81730250 0.43749264 9.27644025
-0.00007472 -0.00011472 -0.00081926
-0.02558970 -0.01151726 -0.02289755
-8.60485090 -0.18908000 8.01799123
-0.00035271 -0.00014338 -0.00038605
0.01658292 0.00162806 0.01012839
19.50400113 11.34584806 8.16725645
0.00008237 -0.00019370 0.00096176
-0.00201051 -0.01044755 -0.02084520
19.56044037 13.30111790 6.12800906
0.00055513 0.00060153 0.00081414
-0.00001487 -0.00423053 -0.01027134
-2.72177482 -2.12756271 -22.60241873
-0.00033160 0.00167689 -0.00051354
-0.01320412 -0.02091254 -0.00422674
-4.81894692 -3.33730962 -24.23536794
0.00034567 0.00127555 0.00016949
-0.02338822 0.01110854 -0.01900721
-12.46078431 9.13217815 9.66041994
-0.00000746 -0.00016975 0.00032068
-0.00150071 -0.00091134 0.00804624
-12.91371530 8.93112734 6.91253356
0.00046071 0.00058526 0.00078428
-0.00349539 -0.00113426 -0.00823018
-12.94380861 7.37261819 -4.61263476
-0.00083196 0.00042486 -0.00008581
-0.00695875 0.00293831 -0.01646762
-11.81644205 9.15090248 -2.48747675
-0.00081509 -0.00002737 -0.00026084
-0.00819610 -0.03244244 -0.01080947
-5.02427277 -17.31959558 19.80748668
0.00018502 0.00074835 0.00066509
0.00482067 0.00375814 0.01072154
-2.20931253 -16.55571184 19.35706921
-0.00041301 0.00121275 -0.00012272
0.01417917 -0.00110463 -0.00915196
-3.40672248 5.42162102 -7.17550246
0.00064423 0.00045868 -0.00051878
0.00005642 -0.00355527 0.00249148
-4.08206939 8.24971598 -6.62572057
-0.00107746 -0.00064164 0.00056404
-0.01893053 0.04413398 0.04653437
-21.15834312 28.00272150 0.76398663
-0.00012695 -0.00002502 0.00131318
0.00130259 0.01628604 0.00623099
-18.73034575 29.71549146 1.02512284
-0.00030747 0.00083705 -0.00105803
-0.04246865 0.00137118 0.01034340
8.30097181 2.70958803 6.49981396
-0.00106431 -0.00022260 -0.00021960
0.01579976 -0.00619736 -0.00695024
9.39839577 4.61720043 8.15143126
0.00083566 -0.00000491 0.00086759
-0.00926735 0.05442537 0.02696591
7.34214110 15.83904717 -14.03924389
-0.00005411 0.00019182 0.00223785
-0.01372917 -0.02066883 0.01784747
7.15796296 13.08562233 -13.16411040
0.00170643 0.00071085 -0.00038638
0.02403691 -0.05261743 -0.01093513
13.01340857 5.07363354 -3.17316686
-0.00105961 0.00014967 0.00056314
0.01155942 -0.00913800 -0.00045263
13.02353573 2.88489297 -1.32030994
-0.00025861 -0.00056063 -0.00005190
0.03705576 0.01937902 -0.01757393
-4.87585718 9.61818622 -0.54783324
0.00074985 0.00022776 -0.00123387
-0.03031493 0.02468071 0.00296218
-7.79210052 10.01998829 -0.44552385
-0.00008591 -0.00081587 -0.00004131
0.00054026 0.00120180 0.00852269
4.72321920 13.18339286 2.07076848
0.00083457 0.00037096 -0.00032894
0.01676380 -0.00411366 0.00905012
7.55484962 12.35098012 2.71687941
0.00041795 -0.00012377 0.00011289
0.05076295 -0.04547160 -0.01896359
21.20681186 -13.06779636 -10.25801834
0.00017405 -0.00070016 0.00018394
-0.00049708 0.01073099 -0.02345917
22.66867380 -13.45150526 -12.79323415
0.00124369 0.00020180 -0.00051557
-0.00349607 -0.00254743 -0.00842854
17.64490652 -5.89865722 1.87344222
-0.00116326 0.00079485 -0.00041831
0.01918134 0.02209611 -0.03122143
16.38752585 -8.07723447 2.90047654
-0.00010431 0.00041775 0.00004482
-0.00107102 0.02519094 0.02058742
14.33912654 8.24162432 10.74047178
0.00023395 0.00004561 -0.00076749
0.01322905 -0.01940686 -0.01945814
16.71253231 6.55066004 10.77125674
0.00010599 0.00004730 -0.00040809
0.00454663 -0.00057454 0.00682393
1.47240504 -13.39750991 15.30701003
-0.00092281 0.00022603 0.00172080
0.00441230 0.00821926 0.01025637
3.46012678 -12.36035792 17.32949632
-0.00082315 0.00035599 -0.00047731
-0.00189885 0.02168256 0.00678410
-3.47444000 -2.66202783 -9.85790229
-0.00011911 0.00039886 0.00028878
-0.00385691 -0.01682596 0.00873675
-1.90484113 -1.13838110 -11.78532669
0.00036209 -0.00094505 -0.00052635
-0.02274821 0.00818947 0.01194498
15.10355296 -7.90275801 -11.25413338
-0.00064639 -0.00083276 0.00050966
-0.01515495 -0.00014355 -0.06091565
17.00585973 -7.06658911 -9.26417011
0.00035289 -0.00005742 0.00029061
0.00310500 0.00523517 0.00877614
7.51296446 -3.15386175 5.61028563
0.00058734 -0.00088448 0.00019481
0.02750006 -0.01047366 0.00393863
10.46895012 -4.08878267 5.05826857
0.00095424 -0.00097270 -0.00022968
-0.01967175 0.01189274 0.00215416
-20.98495051 0.95540250 22.90273803
0.00044040 -0.00029977 0.00056306
0.00474826 -0.00696113 -0.02210419
-23.20315676 0.74741919 24.86100965
0.00001584 0.00043695 -0.00092194
-0.00074841 -0.00216081 0.00200356
25.82211496 -2.49652067 -7.92537194
0.00096320 -0.00024218 0.00014694
0.00413797 -0.00863222 0.00409144
23.65410485 -0.72260178 -7.35436976
-0.00019965 -0.00010652 -0.00026887
-0.00564183 0.00532940 -0.00102937
11.03723528 -12.79336798 -8.69658694
-0.00105322 0.00074239 0.00049657
-0.00246027 0.00376593 0.00445271
12.94485343 -10.50834759 -9.45966020
0.00111680 -0.00004470 0.00033080
-0.00514588 -0.00692147 0.00099113
-5.63903459 -10.40291687 18.20136372
0.00056763 -0.00019114 -0.00015990
0.01205010 -0.00065345 -0.00938926
-5.97045535 -9.95139991 15.33654266
0.00035675 0.00034863 -0.00146230
0.00327287 0.00398439 -0.00504176
9.22648412 1.16460443 -31.77846683
-0.00006698 -0.00055502 0.00005491
-0.01404087 0.00642079 0.01223533
6.80190274 2.75065889 -32.02826650
0.00087904 0.00017968 -0.00107907
-0.00942905 0.00252571 -0.00233951
11.39441173 17.73699699 13.07039877
0.00002576 -0.00074243 -0.00047819
0.00499144 0.02123113 -0.02320934
11.91571804 15.42004150 14.46289595
0.00001446 0.00035739 -0.00052361
0.00894072 -0.01044340 0.00342814
31.04053326 5.46690003 -7.85498616
0.00037758 0.00043061 -0.00004443
-0.00545793 0.00262947 -0.00388209
28.91942437 7.35403265 -7.54713503
-0.00050318 0.00001986 -0.00053578
-0.07293052 0.00908595 -0.00635073
-8.38744956 4.82248664 5.65852008
0.00011140 -0.00004492 0.00003942
0.00781664 0.00370516 0.00040791
-10.73069645 10.13114007 3.35728320
-0.00000053 -0.00004976 -0.00007435
-0.00811269 -0.00414755 0.00492665
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08246746
0.32946408
438.99437475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3664127422 (a.u.)
total exchange computation time: 2.7620098591 s
-154.1372101913
-931.41304215
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3656655510 (a.u.)
total exchange computation time: 2.7624950409 s
-154.1435711693
Anderson extrapolation: theta=1.3448870459 (1.3448870459)
-931.41331077
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3645485828 (a.u.)
total exchange computation time: 2.7632520199 s
-154.1527881146
Anderson extrapolation: theta=0.0526656831 (0.0526656831)
-931.41346930
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3644001568 (a.u.)
total exchange computation time: 2.7627849579 s
-154.1538784647
Anderson extrapolation: theta=1.9767914916 (1.9767914916)
-931.41347521
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3640788133 (a.u.)
total exchange computation time: 2.7627551556 s
-154.1561909321
Anderson extrapolation: theta=0.2291991911 (0.2291991911)
-931.41348121
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3639972379 (a.u.)
total exchange computation time: 2.7627840042 s
-154.1567323687
Anderson extrapolation: theta=1.8549864386 (1.8549864386)
-931.41348230
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3638686609 (a.u.)
total exchange computation time: 2.7631199360 s
-154.1575266235
Anderson extrapolation: theta=0.2760068046 (0.2760068046)
-931.41348344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3638568750 (a.u.)
total exchange computation time: 2.7627620697 s
-154.1575386232
Anderson extrapolation: theta=1.2791018626 (1.2791018626)
-931.41348368
-122.723727 76.125568 -35.818436
566.866078 1066.565182 -418.260076
444.142351 1142.690751 -454.078512
1307.360652
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3638600838 (a.u.)
total exchange computation time: 2.7629370689 s
678.57537970
-1083.59748866
89.95052124
-389.18980130
-174.78823469
78.21062238
551.60419304
0.00000000
-931.41348379
5.37151798 -31.34271921 -3.77158290
-0.00035310 -0.00014558 -0.00009796
-0.00591367 0.00015324 0.00428465
-11.86942253 -0.93829892 -11.81607332
0.00003597 0.00020474 0.00007675
0.00447339 0.01494783 0.00124934
-37.86635592 2.40303385 3.19967306
0.00001115 0.00012831 -0.00019493
0.00201326 0.00550444 0.00956308
-10.00996875 -2.64905383 2.53303114
-0.00029583 0.00020618 0.00027034
0.05111462 -0.02528774 0.03184802
0.89284263 -0.38182294 8.93292261
0.00017466 -0.00032517 -0.00007121
0.01630774 0.01826890 0.02887415
-32.39320776 2.72935872 1.80507101
0.00008246 -0.00011744 0.00001390
0.02346341 -0.05152614 0.00049331
14.12602807 13.85488716 -14.56798459
0.00047550 0.00028181 -0.00016993
0.00932554 -0.00053134 0.01571132
-4.35070210 7.01546019 3.97663328
-0.00038279 -0.00010115 -0.00027994
0.02190821 0.01250001 -0.03515554
5.92747950 16.65856111 -8.31222188
0.00024977 -0.00014141 0.00032991
-0.01802043 0.01242754 0.03764856
6.69991113 7.31410563 -20.98158249
-0.00026351 0.00012088 0.00019950
0.01649589 0.01059969 -0.00553324
23.31953704 17.09019617 -2.06674933
-0.00007180 -0.00007630 0.00019868
0.03437229 0.00172568 -0.02552757
1.43344741 12.94287063 -20.85559073
0.00002297 -0.00009072 0.00007395
0.00056421 0.00473957 -0.00864448
10.45049644 -3.49065802 -1.69803684
-0.00006397 -0.00002332 -0.00026635
-0.02370696 -0.06511545 -0.02281458
-17.76598135 -2.70349410 4.77523704
0.00016458 -0.00019468 0.00006034
-0.00971587 -0.02856608 0.00364203
-15.22960085 0.07053063 18.50809388
0.00022468 -0.00015466 -0.00026779
-0.00536441 -0.01140167 -0.01072248
2.50344869 2.82455929 -2.80967358
-0.00059410 0.00012092 0.00023223
-0.01607832 0.00491675 0.00537703
23.47673660 -7.95806620 -9.75963372
0.00009706 -0.00022670 -0.00025915
0.02156579 0.02341782 0.02173240
1.60782251 -7.84423051 6.76564502
0.00031361 0.00014560 0.00007335
-0.00353700 -0.00427129 -0.02287804
-3.51376835 -0.92045569 -17.95317209
0.00045065 0.00042945 0.00025232
-0.00408198 0.00668879 -0.00189225
3.03089446 4.24068175 -10.50523862
-0.00047681 -0.00007490 0.00031549
0.00795302 -0.00909904 0.02308765
-2.63719239 16.86056647 13.98283869
0.00003658 0.00012244 -0.00006072
0.00806633 0.00877237 0.03574811
-2.26073444 2.13489977 -7.01782753
0.00012841 0.00010555 0.00018986
0.00146626 -0.01758537 0.01069249
-6.80687236 -2.03835696 -4.54747609
-0.00005243 -0.00004556 -0.00017166
-0.00510403 -0.03081859 -0.00227088
0.35728131 28.33334923 7.35575130
0.00004732 0.00010691 0.00003770
-0.00506905 -0.01422464 -0.04209409
10.15474920 -9.15635983 -1.58325268
0.00011794 -0.00007430 -0.00027600
-0.02729109 0.00058169 -0.02447472
-6.95407649 0.59943436 7.73660365
-0.00018236 0.00039784 0.00036038
0.00332218 0.00518262 0.00485547
18.86127498 11.62317359 6.41939920
0.00017541 -0.00017031 0.00014444
0.00624760 0.01574859 0.03264207
-3.39253060 -3.75591044 -23.23539189
-0.00018713 0.00007169 0.00003062
0.03126222 0.02117086 0.02381052
-13.64417015 8.35444896 8.49828082
0.00000331 0.00005621 0.00021649
0.00570068 0.00179694 -0.00213286
-12.27672053 7.33241940 -2.91287395
-0.00021090 -0.00022624 -0.00031932
0.01980134 0.03506346 0.03851488
-3.54228779 -16.45780494 20.55130314
-0.00044237 -0.00034005 0.00005141
-0.01098735 0.00723443 0.01018197
-3.60453243 7.12060246 -7.83473542
-0.00042090 0.00031228 0.00002451
0.02633154 -0.03562935 -0.05690335
-20.68169891 29.72503460 1.31393681
0.00013187 0.00017334 -0.00007044
0.04079034 -0.01660669 -0.01065122
9.88496796 3.11250909 7.40818809
0.00005646 -0.00000320 -0.00013027
-0.01397087 -0.03519989 -0.02478674
6.40813091 14.62178770 -12.88297345
0.00012326 0.00030893 0.00030506
-0.00292292 0.05939168 -0.00506784
14.16402456 3.65817330 -2.72439001
0.00006931 -0.00035571 0.00011687
-0.05095374 -0.00432429 0.01452432
-6.22939458 10.95987704 -0.32339003
0.00023391 -0.00017925 0.00008152
0.03228317 -0.02690172 -0.01663120
6.25870593 13.38272579 3.14113095
0.00004095 0.00047726 0.00008796
-0.06191445 0.04803520 0.01381065
21.83380313 -12.15044065 -11.79162396
-0.00016025 0.00017139 -0.00006673
-0.00427930 -0.01669653 0.03629846
16.83884692 -6.29556970 3.39496303
0.00031834 -0.00001784 -0.00010420
-0.01922563 -0.04054730 0.00680250
15.37691449 7.04754638 9.65392754
0.00011133 -0.00028376 -0.00030396
-0.02340795 0.01838422 0.00841311
3.00622634 -13.70758306 16.23531953
-0.00000497 0.00001401 -0.00044261
0.00128993 -0.02967213 -0.01476547
-3.59503735 -1.16664834 -10.87432076
-0.00007479 -0.00033093 -0.00006414
0.02809438 0.02123621 -0.02055182
15.33909066 -7.80382427 -9.53374808
-0.00008477 0.00019008 -0.00012614
0.00292723 -0.00363756 0.05810675
9.19916389 -3.72384668 6.36872510
0.00024595 -0.00044375 0.00008836
-0.02092997 -0.00412714 0.00277256
-21.62372614 1.57696821 24.43751077
-0.00025661 -0.00003204 -0.00007670
0.00180323 0.01746912 0.02418803
24.89653611 -1.74779711 -6.53165927
-0.00007070 0.00000865 -0.00014091
0.00109409 -0.00145036 -0.00557316
11.88989087 -11.90043512 -10.05298933
0.00029400 -0.00020688 -0.00022838
0.00769519 0.00245878 0.00066956
-4.71362396 -10.43919200 16.57406856
0.00013653 -0.00036953 0.00017934
-0.01486506 -0.00416483 0.01305814
8.22122717 2.52442377 -30.92999714
0.00002404 0.00031627 -0.00047117
0.01617332 -0.02003643 -0.00115172
10.98712315 16.94923998 14.61130475
0.00018106 -0.00031439 -0.00018467
-0.01223024 0.00419754 0.02100166
30.62772575 7.24143631 -7.43615094
0.00004353 -0.00016507 0.00034872
0.06477469 -0.00391549 0.00034289
5.54366938 -30.13225611 -5.12117382
-0.00072201 -0.00048748 0.00057963
0.00706363 0.00372485 -0.01419130
4.07946582 -30.54081365 -2.76929463
0.00031592 0.00103568 0.00063606
-0.00528229 -0.00129401 0.00941663
-12.66113953 -1.88238885 -13.25168846
0.00003707 -0.00036608 0.00044664
0.01041003 0.00508660 0.00457150
-11.72254858 0.86047235 -12.38998993
-0.00032707 -0.00034127 -0.00046335
-0.00364748 -0.02590653 -0.01144467
-37.90974600 4.19369092 2.69019572
0.00068573 0.00146278 0.00043952
-0.00885962 -0.00918614 -0.00103925
-39.58013734 1.78550295 3.43733633
0.00040881 -0.00070164 0.00028697
0.00309468 0.00581377 -0.00511539
-10.06188935 -3.49297532 0.88117098
-0.00094109 0.00015608 0.00018393
-0.00243936 0.01019206 0.00619204
-8.52341580 -3.49119673 3.48775743
-0.00031880 0.00017408 -0.00035874
-0.03076901 0.02111700 -0.02995270
0.50731393 -0.66224016 7.23862693
0.00136342 0.00024195 0.00021888
-0.00839397 -0.00983940 -0.03877086
1.85441414 1.20073202 8.87868667
-0.00026598 0.00004216 -0.00034960
-0.00867658 -0.01315544 0.00816148
-32.67845771 0.82718362 2.02313548
-0.00098132 0.00000874 -0.00093147
0.01043802 0.02889858 0.00192433
-34.03253605 3.34928778 1.61811327
-0.00011667 -0.00008772 -0.00074068
-0.03473539 0.01352691 0.00016880
12.68805639 13.00664573 -15.31528821
-0.00096853 -0.00023029 -0.00046777
0.01004150 -0.00604621 -0.00162100
15.61663229 12.71748462 -14.54540170
-0.00059977 0.00026796 0.00019560
-0.01735124 0.00455830 -0.01848979
-3.96816838 8.80217901 4.33921852
-0.00030735 -0.00010494 -0.00020454
-0.00735360 -0.00730993 0.01260629
-3.68407320 6.96194290 2.19019219
-0.00074410 -0.00060047 0.00090482
-0.01374747 -0.01432484 0.02945268
6.13253969 15.76301364 -9.85013570
0.00011329 -0.00014173 0.00026869
0.00655818 -0.01202612 -0.03270269
7.62282060 17.02594657 -7.73969966
0.00000567 0.00017848 0.00028369
0.00970425 -0.00206028 -0.00148644
7.61161429 7.31914622 -22.63252215
-0.00000133 0.00023210 -0.00057377
-0.00532347 -0.00626933 0.00828830
7.80632728 8.45462987 -19.97404192
-0.00010603 0.00117823 -0.00086042
-0.00709392 -0.01126249 -0.00393018
21.61022906 17.58238225 -2.47294287
-0.00008987 -0.00082444 0.00040758
-0.00851074 0.00092308 0.00672553
24.37248240 17.79911228 -3.45529464
-0.00055431 -0.00001217 -0.00035268
-0.01530575 -0.00413759 0.01655912
1.08445684 11.16148857 -21.05439085
-0.00026117 0.00042769 0.00131587
-0.00375719 -0.00729527 -0.00149278
0.66455319 13.84686824 -22.26498302
0.00040153 0.00026328 0.00042560
0.00498534 -0.00100444 0.00734410
9.87231624 -5.40320096 -1.72254466
0.00079326 0.00043932 -0.00007949
0.02171014 0.05150807 0.00100138
9.79701967 -2.84496010 -3.29310674
0.00121691 -0.00064056 -0.00050142
-0.00272358 -0.00032063 0.00897074
-18.60052329 -4.29385564 5.32684856
0.00082105 0.00012901 0.00030430
0.00353013 0.01462568 0.00777337
-17.41574440 -3.23824962 3.07793211
-0.00099298 -0.00008942 0.00004748
0.00334091 0.00688462 -0.01247074
-15.38789252 0.44993362 16.72619711
0.00012707 0.00038283 0.00026680
0.00065519 0.00046993 -0.00191402
-13.80301382 1.02896202 19.00992215
-0.00037915 0.00008510 0.00040770
0.00995970 0.01099937 0.00819863
3.12687710 4.00352019 -4.02148866
0.00017234 0.00033156 0.00081291
0.00154423 0.01121948 -0.00393753
3.35038443 1.30164032 -3.26797961
0.00066109 0.00113311 -0.00065691
0.01121021 -0.01233447 -0.00129236
23.34173207 -9.63460054 -10.38727581
0.00059084 0.00025839 -0.00007247
-0.01215046 -0.02569430 -0.01094654
24.97033383 -7.97375657 -8.67830823
0.00061176 0.00005071 0.00001742
-0.00770344 0.00712659 -0.00762256
2.39944312 -9.18186693 5.76785654
-0.00011314 -0.00025384 -0.00003647
-0.00484645 0.01370242 0.00384369
2.08592554 -8.20592163 8.45851262
-0.00103781 0.00040685 0.00123877
0.00744207 0.00450811 0.01346457
-3.39448670 -2.72538647 -17.95213751
0.00045880 -0.00038918 -0.00042688
-0.00298981 -0.00840233 0.00246622
-5.08254162 -0.50589451 -17.02310928
0.00002574 -0.00051682 0.00028008
0.01040147 -0.00031690 0.00168941
2.03385779 4.82021855 -11.85011090
0.00042968 0.00052748 -0.00032290
-0.01078448 0.01428942 -0.03917715
1.73813897 4.28300262 -9.23109645
-0.00005762 0.00061246 0.00039821
0.00237420 -0.00759897 0.01428805
-1.01428681 16.12797743 13.45255055
-0.00065402 -0.00098566 0.00123598
0.00107016 -0.00840909 -0.00619001
-2.38917760 17.08781765 15.83761383
0.00032644 -0.00029998 0.00056344
-0.01115094 -0.00498282 -0.02983196
-1.98917123 1.22960746 -5.43198723
-0.00071828 0.00064916 0.00012440
-0.00137592 0.01151756 -0.00851071
-3.01516681 0.83200087 -8.13122017
-0.00104037 -0.00064290 -0.00038855
0.00169001 0.00898677 -0.00483768
-8.33866001 -3.08497020 -4.45737292
-0.00122705 -0.00017905 0.00096057
0.01116087 0.00661581 -0.00279763
-7.33557064 -0.45163275 -3.92867257
-0.00028096 0.00027442 0.00007310
-0.00659383 0.02640486 0.00544170
1.25870874 28.19834664 5.69597781
0.00079387 -0.00009765 -0.00048819
-0.00678219 0.00612030 0.02421120
-1.39556477 28.15358328 6.68353601
-0.00159407 -0.00063370 0.00003394
0.01332333 0.00575761 0.01053979
8.32193284 -9.37697761 -1.97925839
0.00024431 -0.00036486 0.00035913
0.01720015 0.00664461 -0.00401887
10.25856820 -9.76911009 0.10833912
0.00082068 0.00074172 0.00030824
0.01140741 -0.00417763 0.02235537
-5.81920746 0.43541894 9.26344968
-0.00017508 -0.00016231 -0.00090431
-0.02353697 -0.01177912 -0.01873657
-8.60963346 -0.19118077 8.01251086
-0.00028134 -0.00013516 -0.00034408
0.01835540 0.00239519 0.01041456
19.50517513 11.34262237 8.18104415
0.00007166 -0.00023569 0.00086892
-0.00323636 -0.01010438 -0.02460193
19.56876683 13.31001116 6.13990634
0.00055106 0.00057434 0.00077336
-0.00197747 -0.00907739 -0.00968714
-2.72715339 -2.10305025 -22.61025137
-0.00038797 0.00157778 -0.00053376
-0.01438936 -0.02760182 -0.00567241
-4.81447859 -3.31783595 -24.23340810
0.00024664 0.00131899 0.00008887
-0.02508602 0.01015656 -0.02045593
-12.46094224 9.12960405 9.66547674
-0.00001323 -0.00017345 0.00035516
-0.00132046 -0.00090359 0.00882926
-12.90691177 8.93987152 6.92404554
0.00044641 0.00058039 0.00074801
-0.00350667 -0.00124962 -0.00952321
-12.95650124 7.37908106 -4.61442656
-0.00086025 0.00043538 -0.00015314
-0.00688905 0.00221207 -0.01649207
-11.82891953 9.14949783 -2.49172065
-0.00084724 -0.00015980 -0.00030414
-0.00754184 -0.03238536 -0.01038541
-5.02134971 -17.30825520 19.81779154
0.00019310 0.00075579 0.00070110
-0.00086637 -0.00011607 0.00690614
-2.21507316 -16.53755437 19.35494798
-0.00035739 0.00120788 -0.00015935
0.01304452 -0.00128359 -0.00878064
-3.39705731 5.42839221 -7.18320786
0.00064445 0.00044042 -0.00050766
0.00005069 -0.00538175 0.00295173
-4.09881137 8.24144383 -6.61583397
-0.00115472 -0.00046257 0.00075309
-0.01888685 0.04351912 0.04600416
-21.16020739 28.00284520 0.78387530
-0.00012141 0.00003923 0.00133725
0.00140495 0.01516566 0.00554899
-18.73625913 29.72808922 1.00956941
-0.00047844 0.00084109 -0.00101518
-0.04122395 0.00060634 0.01063010
8.28549137 2.70605906 6.49630691
-0.00098884 -0.00024292 -0.00024143
0.02114202 -0.00374924 -0.00373198
9.41064668 4.61879452 8.16527146
0.00079842 0.00021059 0.00097401
-0.00896293 0.05106607 0.02512670
7.34090868 15.84129112 -14.00512931
-0.00010422 0.00011790 0.00230087
-0.01080002 -0.01551593 0.01300573
7.18429603 13.09467268 -13.17024117
0.00179921 0.00050643 -0.00042845
0.02137652 -0.04744857 -0.00965861
12.99786857 5.07559863 -3.16473367
-0.00100470 0.00010399 0.00056319
0.01532113 -0.01322490 0.00047813
13.02079201 2.87707731 -1.32162691
-0.00010600 -0.00048153 -0.00012396
0.03765215 0.01934433 -0.01770241
-4.86553838 9.62235888 -0.56625047
0.00062416 0.00032893 -0.00122020
-0.03120974 0.02484235 0.00372666
-7.79337257 10.00778703 -0.44588235
-0.00007527 -0.00080644 -0.00000612
0.00466618 0.00341295 0.00870183
4.73625141 13.18883128 2.06611167
0.00089814 0.00035379 -0.00029409
0.01435634 -0.00429144 0.00800828
7.56267434 12.34773018 2.71799170
0.00061223 -0.00029875 0.00004055
0.04434280 -0.04018387 -0.01644743
21.20940730 -13.07796993 -10.25597815
0.00017388 -0.00065324 0.00008357
0.00041494 0.01223901 -0.02566857
22.68722201 -13.44855624 -12.80122596
0.00122267 0.00019941 -0.00054334
-0.00679083 0.00137604 -0.00516558
17.62804541 -5.88605743 1.86621078
-0.00108433 0.00088529 -0.00054823
0.01945571 0.02217792 -0.03237218
16.38592840 -8.07019626 2.90177965
-0.00010850 0.00051637 0.00012762
-0.00098130 0.02308249 0.01994712
14.34304124 8.24171380 10.72836320
0.00028694 -0.00003313 -0.00084525
0.01270693 -0.01913550 -0.01860599
16.71426150 6.55135198 10.76534451
0.00012615 0.00004434 -0.00037864
0.00532139 -0.00087709 0.00759273
1.45869812 -13.39386759 15.33313635
-0.00090928 0.00025818 0.00175855
0.00220779 0.00751660 0.00821986
3.44772138 -12.35435371 17.32254456
-0.00082923 0.00044262 -0.00044876
-0.00108019 0.02072318 0.00719283
-3.47634479 -2.65656051 -9.85330292
-0.00013440 0.00032554 0.00032716
-0.00362865 -0.01906280 0.01005287
-1.90010690 -1.15230587 -11.79285594
0.00026432 -0.00091090 -0.00047456
-0.02510777 0.00852490 0.01340699
15.09339274 -7.91525374 -11.24835518
-0.00070769 -0.00083357 0.00025265
-0.01485430 -0.00025553 -0.06489285
17.01124829 -7.06729005 -9.25954199
0.00036107 -0.00003741 0.00032364
0.00089562 0.00456124 0.00739148
7.52261718 -3.16744996 5.61332840
0.00069595 -0.00092567 0.00020823
0.02566712 -0.00968590 0.00263143
10.48266094 -4.10300873 5.05488933
0.00086614 -0.00092140 -0.00021384
-0.02345477 0.01321896 0.00559961
-20.97819897 0.95069268 22.91050665
0.00046148 -0.00032916 0.00047007
0.00556937 -0.00742769 -0.02341813
-23.20294203 0.75390721 24.84724200
0.00000495 0.00042405 -0.00091104
-0.00458525 -0.00415299 0.00333064
25.83668982 -2.50041784 -7.92304242
0.00097569 -0.00027412 0.00016769
0.00197285 -0.00700487 0.00606336
23.65093723 -0.72403626 -7.35843441
-0.00022101 -0.00008612 -0.00027333
-0.00481352 0.00465722 -0.00115184
11.02136167 -12.78211670 -8.68900196
-0.00105829 0.00076158 0.00050674
-0.00002535 0.00562877 0.00052514
12.96144775 -10.50923022 -9.45466779
0.00108973 -0.00008025 0.00033098
-0.00810686 -0.01047923 -0.00090461
-5.63015090 -10.40580393 18.19867748
0.00061153 -0.00019282 -0.00019389
0.00943897 -0.00016987 -0.00724654
-5.96500378 -9.94604832 15.31445366
0.00038064 0.00036032 -0.00146904
0.00841974 0.00173749 0.00174223
9.22504918 1.15647596 -31.77726832
-0.00012537 -0.00052600 0.00010622
-0.01454147 0.00778129 0.01288305
6.81479940 2.75343147 -32.04452423
0.00083625 0.00019103 -0.00109108
-0.01151912 0.00303277 -0.00354061
11.39495107 17.72651112 13.06251465
0.00004517 -0.00065518 -0.00057143
0.00451032 0.02147974 -0.02242876
11.91620886 15.42508231 14.45514685
0.00005633 0.00030479 -0.00050911
0.01155621 -0.01530335 0.00367059
31.04602966 5.47343978 -7.85577152
0.00035593 0.00043637 -0.00006119
-0.00513847 0.00018827 -0.00432567
28.90964190 7.35460901 -7.55536640
-0.00078401 0.00005532 -0.00056167
-0.06453939 0.00827192 -0.00632084
-8.38575752 4.82182278 5.65911241
0.00011418 -0.00004362 0.00003956
0.00770724 0.00354172 0.00037826
-10.73071856 10.13038652 3.35617657
-0.00000242 -0.00005068 -0.00007320
-0.00816218 -0.00384732 0.00491362
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08269830
0.33078549
440.75508646
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3562474703 (a.u.)
total exchange computation time: 2.7265121937 s
-154.1023666675
-931.41498176
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3556668661 (a.u.)
total exchange computation time: 2.7267808914 s
-154.1075363510
Anderson extrapolation: theta=1.3435938568 (1.3435938568)
-931.41524158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3548030027 (a.u.)
total exchange computation time: 2.7277498245 s
-154.1150190052
Anderson extrapolation: theta=0.0525613573 (0.0525613573)
-931.41539475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3546908722 (a.u.)
total exchange computation time: 2.7278990746 s
-154.1159128379
Anderson extrapolation: theta=1.9709943222 (1.9709943222)
-931.41540053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3544524527 (a.u.)
total exchange computation time: 2.7295699120 s
-154.1177848988
Anderson extrapolation: theta=0.2272706471 (0.2272706471)
-931.41540656
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3543971045 (a.u.)
total exchange computation time: 2.7271819115 s
-154.1181937073
Anderson extrapolation: theta=1.8437119949 (1.8437119949)
-931.41540770
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3543176840 (a.u.)
total exchange computation time: 2.7279880047 s
-154.1187438735
Anderson extrapolation: theta=0.2746966802 (0.2746966802)
-931.41540900
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3543180812 (a.u.)
total exchange computation time: 2.7288022041 s
-154.1187003784
Anderson extrapolation: theta=1.2805787640 (1.2805787640)
-931.41540929
-122.722940 76.150930 -35.849170
566.874431 1066.602989 -418.239935
444.151492 1142.753919 -454.089105
1307.422649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0579941860
ExchangeOperator: pair fraction: ispin=0: 0.1414602488
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3543343446 (a.u.)
total exchange computation time: 2.7298328876 s
678.42177188
-1083.27822212
89.96651916
-389.40807338
-174.76307068
78.03491663
551.60419304
0.00000000
-931.41540949
5.36619861 -31.34490231 -3.77303584
-0.00035702 -0.00014592 -0.00009412
-0.00932024 -0.00148834 0.01065706
-11.86886576 -0.93517014 -11.81491726
0.00003815 0.00021171 0.00007750
0.00400237 0.01214689 0.00166392
-37.86618089 2.40497974 3.19678607
0.00001258 0.00013261 -0.00019036
0.00353258 0.01119883 0.00820515
-10.01420911 -2.64605868 2.53720910
-0.00026996 0.00019318 0.00028615
0.04949956 -0.02524377 0.02962438
0.89552546 -0.38663001 8.93196585
0.00018339 -0.00031534 -0.00005529
0.01762011 0.01996896 0.03301425
-32.39188036 2.72739837 1.80528146
0.00009343 -0.00014356 0.00001397
0.01921107 -0.05005767 -0.00024689
14.13319647 13.85911221 -14.57047288
0.00047684 0.00028111 -0.00016294
-0.00410225 -0.00217042 0.01144546
-4.35635942 7.01399111 3.97229863
-0.00037216 -0.00009470 -0.00029610
0.01942407 0.01258246 -0.02769894
5.93115657 16.65648791 -8.30712803
0.00024018 -0.00013514 0.00034894
-0.01928621 0.01194143 0.03637890
6.69602216 7.31595978 -20.97861131
-0.00025420 0.00012661 0.00019563
0.01968975 0.01164772 -0.00952480
23.31859269 17.08905833 -2.06386764
-0.00005368 -0.00007549 0.00018548
0.03607492 0.00143591 -0.02579636
1.43379407 12.94152812 -20.85451479
0.00002384 -0.00008732 0.00007015
0.00281868 0.00846050 -0.00614549
10.44944542 -3.49125902 -1.70212003
-0.00007544 -0.00005636 -0.00027725
-0.02088586 -0.06335302 -0.01957750
-17.76355006 -2.70652448 4.77615612
0.00015984 -0.00020858 0.00006235
-0.00871930 -0.02549985 0.00420974
-15.22625140 0.06816680 18.50403574
0.00022171 -0.00016076 -0.00027261
-0.00618533 -0.01234517 -0.00803154
2.49447518 2.82639209 -2.80616932
-0.00060205 0.00012343 0.00023467
-0.01484945 0.00484914 0.00410915
23.47827563 -7.96137639 -9.76343711
0.00010902 -0.00021363 -0.00024698
0.02495132 0.02740305 0.02560219
1.61251295 -7.84206298 6.76665697
0.00031210 0.00014316 0.00006283
-0.00229892 -0.00520662 -0.01800891
-3.50702436 -0.91398813 -17.94939460
0.00044829 0.00043114 0.00025153
-0.00509119 -0.00012728 -0.00119396
3.02377304 4.23952321 -10.50041715
-0.00047256 -0.00007942 0.00032658
0.00857142 -0.00848562 0.02004137
-2.63661251 16.86243685 13.98206582
0.00004026 0.00012709 -0.00004103
0.00622656 0.00932231 0.04082144
-2.25880270 2.13641513 -7.01493843
0.00012811 0.00009559 0.00019332
-0.00263051 -0.02112718 0.00278181
-6.80767845 -2.03915918 -4.55005976
-0.00005697 -0.00006137 -0.00017225
-0.01257594 -0.03066223 -0.00002170
0.35797158 28.33489801 7.35615449
0.00004327 0.00009926 0.00001458
-0.01068346 -0.01552642 -0.04784550
10.15641301 -9.15747213 -1.58748703
0.00010434 -0.00007425 -0.00028776
-0.02560677 -0.00039093 -0.02127711
-6.95679905 0.60542202 7.74202806
-0.00018171 0.00040045 0.00036158
-0.00081186 0.00496280 -0.00019462
18.86393028 11.62067970 6.42169165
0.00017936 -0.00016120 0.00016180
0.00908094 0.01969056 0.03489153
-3.39521690 -3.75475343 -23.23484067
-0.00017074 0.00008429 0.00004326
0.03245906 0.02781510 0.02533100
-13.64409844 8.35529910 8.50151989
0.00000628 0.00005718 0.00021554
0.00582720 0.00194631 -0.00156357
-12.27980760 7.32916112 -2.91751516
-0.00020095 -0.00020825 -0.00029967
0.01886132 0.03486006 0.03789305
-3.54896573 -16.46287771 20.55211358
-0.00044587 -0.00033524 0.00005741
-0.00262225 0.01143828 0.01315187
-3.61074437 7.12514920 -7.83458720
-0.00040759 0.00029502 -0.00000414
0.02541731 -0.03148141 -0.05452734
-20.67956359 29.72757060 1.31283918
0.00015224 0.00016528 -0.00007572
0.03843637 -0.01472080 -0.00991074
9.88576093 3.11232538 7.40613845
0.00004785 -0.00002050 -0.00014303
-0.01950432 -0.03207575 -0.02484483
6.40996850 14.62665072 -12.87841714
0.00012180 0.00033601 0.00030338
-0.00274364 0.04592139 -0.00143646
14.16486771 3.65282103 -2.72258089
0.00004217 -0.00035694 0.00012402
-0.05459765 -0.00048120 0.01328156
-6.22576138 10.95708445 -0.32223136
0.00024959 -0.00019357 0.00007281
0.02868671 -0.02877600 -0.01725690
6.25908140 13.39007003 3.14250359
0.00001209 0.00050019 0.00009464
-0.05033350 0.04113401 0.01216826
21.83138288 -12.14793427 -11.79248482
-0.00016183 0.00016152 -0.00004849
-0.00186897 -0.02167294 0.03462346
16.84354781 -6.29599371 3.39342624
0.00030865 -0.00003783 -0.00010059
-0.01843105 -0.03717051 0.00723567
15.37849408 7.04336083 9.64940058
0.00009937 -0.00027445 -0.00030007
-0.02307948 0.01781915 0.00670332
3.00615675 -13.70748736 16.22862340
-0.00000396 -0.00000061 -0.00044965
0.00264322 -0.02717727 -0.01261791
-3.59605090 -1.17153042 -10.87536220
-0.00005993 -0.00031962 -0.00007522
0.02971353 0.02275369 -0.02250033
15.33783048 -7.80098711 -9.53541602
-0.00008277 0.00018841 -0.00009566
0.00484958 -0.00285861 0.06040378
9.20277240 -3.73051878 6.37006124
0.00023671 -0.00044630 0.00008946
-0.01498880 -0.00581778 0.00148117
-21.62756827 1.57655504 24.43645354
-0.00025475 -0.00002249 -0.00006449
0.00541846 0.01964314 0.02328440
24.89547981 -1.74767299 -6.53379440
-0.00006985 0.00000767 -0.00014421
0.00222136 -0.00236554 -0.00727208
11.89433057 -11.90352885 -10.05641241
0.00029803 -0.00020525 -0.00022656
0.00795973 0.00386906 0.00638057
-4.71163332 -10.44475099 16.57680900
0.00012837 -0.00037120 0.00018371
-0.01686511 -0.00235296 0.00394662
8.22165011 2.52909051 -30.93706914
0.00003288 0.00030558 -0.00047163
0.01822928 -0.02152529 -0.00063308
10.98979186 16.94454029 14.60861570
0.00017435 -0.00031102 -0.00017435
-0.01385322 0.00889849 0.01913447
30.62862860 7.23894518 -7.43091882
0.00007379 -0.00016604 0.00034885
0.05288576 0.00013538 0.00014282
5.53305572 -30.13945421 -5.11291431
-0.00069103 -0.00046489 0.00051225
0.00810175 0.00733231 -0.01878878
4.08404280 -30.52531807 -2.75946516
0.00029909 0.00102621 0.00067118
-0.00295576 -0.00334083 0.00777207
-12.66026451 -1.88772413 -13.24484871
0.00007954 -0.00034521 0.00046518
0.01037867 0.00512905 0.00450298
-11.72756644 0.85455949 -12.39729095
-0.00034127 -0.00044159 -0.00051104
-0.00330381 -0.02320169 -0.01189910
-37.89973153 4.21535110 2.69675670
0.00064741 0.00141191 0.00043852
-0.00990079 -0.01571269 0.00054796
-39.57391040 1.77515656 3.44148410
0.00042061 -0.00067574 0.00026556
0.00268106 0.00686134 -0.00536310
-10.07608047 -3.49032187 0.88411967
-0.00095060 0.00019853 0.00021038
-0.00221635 0.01058860 0.00675765
-8.52914066 -3.48793838 3.48145851
-0.00044135 0.00025905 -0.00047863
-0.02921758 0.02047210 -0.02873444
0.52750808 -0.65891235 7.24072203
0.00132620 0.00019816 0.00004972
-0.00982968 -0.01159633 -0.04403206
1.85015858 1.20096135 8.87369283
-0.00030144 -0.00001171 -0.00031381
-0.00868383 -0.01321611 0.00935550
-32.69285770 0.82820032 2.00922235
-0.00093688 0.00012545 -0.00092192
0.01131882 0.02822943 0.00275337
-34.03535054 3.34838648 1.60700819
-0.00025193 -0.00003356 -0.00073938
-0.03147527 0.01298499 0.00046833
12.67383608 13.00300615 -15.32235438
-0.00090976 -0.00024480 -0.00046553
0.01872757 -0.00105986 0.00271590
15.60710410 12.72164365 -14.54303430
-0.00066111 0.00027944 0.00011997
-0.01267808 0.00106501 -0.01853251
-3.97300396 8.80038086 4.33653665
-0.00033729 -0.00013483 -0.00015330
-0.00730185 -0.00732086 0.01247922
-3.69565598 6.95249689 2.20466702
-0.00079504 -0.00065867 0.00101056
-0.01118733 -0.01416446 0.02230841
6.13444002 15.76051910 -9.84710743
0.00014025 -0.00018978 0.00013702
0.00663915 -0.01149153 -0.03175011
7.62320306 17.02856057 -7.73548985
0.00004731 0.00017001 0.00027815
0.01067757 -0.00208402 -0.00122366
7.61143115 7.32243554 -22.64087469
-0.00002747 0.00020541 -0.00053244
-0.00747065 -0.00679224 0.01194412
7.80451942 8.47195822 -19.98706860
-0.00013626 0.00113038 -0.00087580
-0.00770104 -0.01216134 -0.00360097
21.60862021 17.57004401 -2.46662310
-0.00012772 -0.00081944 0.00043454
-0.01001507 0.00152440 0.00647127
24.36369876 17.79880299 -3.46007743
-0.00061715 -0.00002926 -0.00028394
-0.01545381 -0.00422748 0.01709228
1.08042408 11.16768035 -21.03469850
-0.00027897 0.00039042 0.00130751
-0.00495567 -0.01095023 -0.00259965
0.67072888 13.85078666 -22.25837399
0.00041959 0.00025941 0.00045251
0.00385371 -0.00089166 0.00583115
9.88488034 -5.39503281 -1.72370631
0.00087886 0.00064344 -0.00007597
0.02019575 0.04841020 0.00072161
9.81518985 -2.85457832 -3.30035310
0.00120291 -0.00063926 -0.00047081
-0.00413021 0.00095599 0.00600974
-18.58809934 -4.29147237 5.33165120
0.00083207 0.00018313 0.00033847
0.00186545 0.01186694 0.00895529
-17.43053678 -3.23937998 3.07826222
-0.00097833 -0.00006190 -0.00000682
0.00383353 0.00658610 -0.01411304
-15.38596632 0.45569047 16.73014041
0.00012940 0.00038608 0.00025287
0.00048068 0.00112071 -0.00490420
-13.80839584 1.03057563 19.01628888
-0.00033690 0.00013110 0.00044166
0.01072102 0.01151842 0.00842718
3.12950947 4.00883734 -4.00941564
0.00017722 0.00037930 0.00079772
0.00084749 0.01215096 -0.00349871
3.36064427 1.31825895 -3.27787290
0.00070591 0.00108041 -0.00066051
0.01073066 -0.01345846 -0.00047055
23.35022236 -9.63151200 -10.38869833
0.00054044 0.00014502 -0.00011959
-0.01251882 -0.02980248 -0.01211830
24.97927413 -7.97277760 -8.67828046
0.00057385 0.00007982 -0.00001839
-0.01085115 0.00712421 -0.00991022
2.39759754 -9.18525468 5.76742729
-0.00013308 -0.00019672 -0.00001760
-0.00491541 0.01425814 0.00539485
2.07058646 -8.19968072 8.47750679
-0.00101005 0.00042615 0.00128066
0.00614764 0.00493721 0.00703790
-3.38769637 -2.73148171 -17.95846515
0.00044622 -0.00041010 -0.00041694
-0.00316427 -0.00183439 0.00239964
-5.08183683 -0.51365651 -17.01885628
0.00007001 -0.00051756 0.00028569
0.01126967 -0.00004473 0.00105815
2.03997252 4.82856869 -11.85615484
0.00038747 0.00058404 -0.00047743
-0.00987975 0.01339477 -0.03646769
1.73734745 4.29195671 -9.22468549
-0.00005103 0.00058193 0.00045707
0.00084973 -0.00734914 0.01452413
-1.02406430 16.11293485 13.47090053
-0.00064371 -0.00102193 0.00120633
0.00397635 -0.00934493 -0.00832306
-2.38462265 17.08316533 15.84515128
0.00027853 -0.00032001 0.00043571
-0.01230329 -0.00482200 -0.03269376
-1.99998761 1.23969774 -5.43038202
-0.00072268 0.00069239 0.00009549
-0.00077861 0.00964702 -0.00563869
-3.03072059 0.82263274 -8.13719669
-0.00102600 -0.00059514 -0.00039893
0.00534456 0.01439429 -0.00024228
-8.35672379 -3.08745329 -4.44305006
-0.00116887 -0.00014486 0.00094796
0.01732180 0.01012344 -0.00337681
-7.33998704 -0.44670726 -3.92740930
-0.00030479 0.00037528 0.00009212
-0.00507150 0.02296460 0.00386935
1.27040890 28.19706944 5.68939690
0.00075895 -0.00007199 -0.00038176
-0.01030773 0.00644062 0.02788753
-1.41906753 28.14425420 6.68436810
-0.00152041 -0.00060777 0.00008117
0.02273514 0.00693658 0.01257742
8.32612457 -9.38224694 -1.97399460
0.00031187 -0.00033779 0.00034224
0.01586886 0.00660927 -0.00424896
10.27122800 -9.75811229 0.11364783
0.00086667 0.00072650 0.00039343
0.01110520 -0.00327513 0.01934460
-5.82255491 0.43262333 9.24931081
-0.00026569 -0.00021108 -0.00097104
-0.02081863 -0.01209381 -0.01392589
-8.61329108 -0.19313475 8.00766876
-0.00020353 -0.00012410 -0.00030100
0.01973210 0.00301576 0.01067673
19.50615080 11.33877742 8.19332410
0.00005645 -0.00027632 0.00076211
-0.00420724 -0.00978591 -0.02768325
19.57697209 13.31834811 6.15120993
0.00053930 0.00052811 0.00073483
-0.00377666 -0.01355198 -0.00917644
-2.73341383 -2.08022940 -22.61843166
-0.00044816 0.00145350 -0.00055886
-0.01507307 -0.03323233 -0.00661144
-4.81154768 -3.29773982 -24.23270192
0.00014293 0.00135789 0.00000387
-0.02568303 0.00888139 -0.02115082
-12.46118110 9.12697456 9.67107466
-0.00001870 -0.00017732 0.00039220
-0.00135868 -0.00098966 0.00930430
-12.90032315 8.94853912 6.93497388
0.00043195 0.00057496 0.00070690
-0.00356935 -0.00141011 -0.01059991
-12.96961608 7.38567950 -4.61722910
-0.00088773 0.00044279 -0.00021935
-0.00656158 0.00141514 -0.01591646
-11.84185921 9.14610841 -2.49660102
-0.00087626 -0.00029031 -0.00034523
-0.00666663 -0.03150092 -0.00972862
-5.01847975 -17.29692193 19.82851964
0.00017691 0.00074698 0.00072095
-0.00706107 -0.00419750 0.00281143
-2.22003435 -16.51947557 19.35228863
-0.00030770 0.00120223 -0.00019339
0.01128170 -0.00147913 -0.00788203
-3.38738904 5.43483358 -7.19073235
0.00064466 0.00041507 -0.00049477
0.00005074 -0.00702734 0.00335785
-4.11671085 8.23583879 -6.60312795
-0.00122975 -0.00029038 0.00093503
-0.01784335 0.04076898 0.04306039
-21.16198556 28.00389835 0.80410405
-0.00011565 0.00009818 0.00135834
0.00141541 0.01369339 0.00477618
-18.74469897 29.74072414 0.99466746
-0.00064276 0.00084201 -0.00097153
-0.03921155 -0.00015653 0.01073728
8.27130664 2.70230032 6.49257114
-0.00089295 -0.00025351 -0.00025086
0.02579603 -0.00143135 -0.00088496
9.42234829 4.62351826 8.18065159
0.00076351 0.00040800 0.00107048
-0.00812396 0.04556751 0.02209380
7.33901436 15.84258416 -13.97021765
-0.00014107 0.00006682 0.00234294
-0.00723445 -0.00948892 0.00758335
7.21193919 13.10081509 -13.17696388
0.00187843 0.00032752 -0.00046434
0.01740281 -0.04012510 -0.00791255
12.98326754 5.07675321 -3.15627118
-0.00093538 0.00004287 0.00056655
0.01860981 -0.01669372 0.00116477
13.02035585 2.87044720 -1.32402880
0.00004801 -0.00040324 -0.00019552
0.03773542 0.01897670 -0.01732346
-4.85713230 9.62805402 -0.58443932
0.00049620 0.00042954 -0.00120357
-0.03142771 0.02440664 0.00441619
-7.79435865 9.99579494 -0.44570755
-0.00004832 -0.00078814 0.00002973
0.00852496 0.00554691 0.00884925
4.75016346 13.19400669 2.06194566
0.00095097 0.00033579 -0.00026428
0.01150342 -0.00452096 0.00658694
7.57321666 12.34201752 2.71809600
0.00077602 -0.00044860 -0.00002011
0.03583196 -0.03316519 -0.01324956
21.21202818 -13.08739341 -10.25551110
0.00017691 -0.00060088 -0.00002445
0.00107077 0.01338764 -0.02721154
22.70535404 -13.44552290 -12.80953435
0.00118826 0.00021265 -0.00055798
-0.01005782 0.00510228 -0.00200252
17.61237667 -5.87209843 1.85699537
-0.00100614 0.00097494 -0.00067944
0.01881769 0.02170563 -0.03185708
16.38427081 -8.06174342 2.90430524
-0.00011266 0.00060491 0.00020720
-0.00105545 0.02026113 0.01900605
14.34773469 8.24063055 10.71511432
0.00033711 -0.00010983 -0.00091873
0.01185225 -0.01840944 -0.01736325
16.71631682 6.55199016 10.75989762
0.00014895 0.00004034 -0.00034647
0.00584035 -0.00108015 0.00815384
1.44512651 -13.38976461 15.35976644
-0.00090464 0.00028726 0.00178810
0.00006565 0.00672169 0.00624868
3.43524977 -12.34707945 17.31603362
-0.00083210 0.00052402 -0.00041959
-0.00032491 0.01912344 0.00708663
-3.47847197 -2.65226148 -9.84808746
-0.00014874 0.00024442 0.00037007
-0.00339236 -0.02065021 0.01094971
-1.89691143 -1.16570818 -11.79956353
0.00015820 -0.00087544 -0.00041747
-0.02683804 0.00883356 0.01454178
15.08232216 -7.92776513 -11.24655402
-0.00076689 -0.00083449 -0.00001427
-0.01412348 -0.00019377 -0.06576410
17.01669174 -7.06771144 -9.25446088
0.00036019 -0.00002014 0.00035086
-0.00132726 0.00389394 0.00593367
7.53384293 -3.18163178 5.61653244
0.00079583 -0.00096325 0.00021590
0.02322593 -0.00870980 0.00112498
10.49493431 -4.11642464 5.05185326
0.00076368 -0.00086500 -0.00018486
-0.02670073 0.01438777 0.00859009
-20.97110610 0.94552764 22.91684007
0.00048506 -0.00035965 0.00037372
0.00597211 -0.00749778 -0.02374336
-23.20300831 0.76014071 24.83367847
-0.00002151 0.00040310 -0.00089491
-0.00836733 -0.00610219 0.00456305
25.85138559 -2.50474431 -7.92034129
0.00097928 -0.00029945 0.00019630
-0.00021592 -0.00539185 0.00794229
23.64747461 -0.72518531 -7.36256965
-0.00023864 -0.00006871 -0.00027814
-0.00381777 0.00386254 -0.00120058
11.00548649 -12.77052045 -8.68138479
-0.00105325 0.00078806 0.00050086
0.00249164 0.00733029 -0.00340355
12.97754524 -10.51075508 -9.44973082
0.00105086 -0.00012967 0.00032389
-0.01091974 -0.01371142 -0.00256759
-5.62068874 -10.40870140 18.19554712
0.00064429 -0.00019245 -0.00021825
0.00660017 0.00035016 -0.00467946
-5.95903620 -9.94059025 15.29247143
0.00042437 0.00036310 -0.00144884
0.01298508 -0.00037697 0.00814793
9.22272305 1.14882437 -31.77528025
-0.00018524 -0.00049202 0.00015968
-0.01476626 0.00885531 0.01328546
6.82699010 2.75638991 -32.06099896
0.00078576 0.00020428 -0.00110748
-0.01319205 0.00345353 -0.00448524
11.39576683 17.71734166 13.05325595
0.00006213 -0.00056810 -0.00065933
0.00379332 0.02114303 -0.02059940
11.91740792 15.42918522 14.44762270
0.00010838 0.00023344 -0.00049371
0.01392090 -0.01962553 0.00386489
31.05121113 5.47999107 -7.85682197
0.00033568 0.00043192 -0.00007985
-0.00477520 -0.00236573 -0.00480568
28.89590405 7.35569232 -7.56398514
-0.00102476 0.00008699 -0.00058668
-0.05330930 0.00723027 -0.00592195
-8.38402410 4.82117793 5.65970678
0.00011692 -0.00004239 0.00003969
0.00758010 0.00336255 0.00034675
-10.73076908 10.12961957 3.35508705
-0.00000432 -0.00005154 -0.00007206
-0.00818718 -0.00351922 0.00493754
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08270440
0.33270509
443.31284816
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3465528859 (a.u.)
total exchange computation time: 2.7129712105 s
-154.0655297064
-931.41739849
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3460905642 (a.u.)
total exchange computation time: 2.7253201008 s
-154.0696330742
Anderson extrapolation: theta=1.3473596676 (1.3473596676)
-931.41764726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3453658972 (a.u.)
total exchange computation time: 2.7097380161 s
-154.0757749615
Anderson extrapolation: theta=0.0539034155 (0.0539034155)
-931.41779507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3452436092 (a.u.)
total exchange computation time: 2.7087061405 s
-154.0766742402
Anderson extrapolation: theta=2.0380590874 (2.0000000000)
-931.41780106
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3449704161 (a.u.)
total exchange computation time: 2.7091059685 s
-154.0786300596
Anderson extrapolation: theta=0.2604007843 (0.2604007843)
-931.41780780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3448911642 (a.u.)
total exchange computation time: 2.7115490437 s
-154.0791468441
Anderson extrapolation: theta=1.7522100834 (1.7522100834)
-931.41780926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3447738204 (a.u.)
total exchange computation time: 2.7088758945 s
-154.0798470175
Anderson extrapolation: theta=0.3157685447 (0.3157685447)
-931.41781090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3447600457 (a.u.)
total exchange computation time: 2.7083239555 s
-154.0798614530
Anderson extrapolation: theta=1.1847735144 (1.1847735144)
-931.41781131
-122.728660 76.179888 -35.883125
566.881039 1066.642319 -418.222863
444.152379 1142.822207 -454.105988
1307.488501
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3447621772 (a.u.)
total exchange computation time: 2.7135601044 s
678.26436739
-1082.95171093
89.98227981
-389.63081022
-174.73717545
77.85613561
551.60419304
0.00000000
-931.41781158
5.36080734 -31.34709689 -3.77440657
-0.00036268 -0.00014703 -0.00008707
-0.01266809 -0.00281311 0.01677578
-11.86827810 -0.93194765 -11.81374836
0.00004010 0.00021712 0.00007851
0.00357872 0.00889267 0.00228097
-37.86597861 2.40701203 3.19396238
0.00001480 0.00013968 -0.00018643
0.00511594 0.01630212 0.00705414
-10.01806759 -2.64325829 2.54161562
-0.00024512 0.00018035 0.00030072
0.04709866 -0.02468383 0.02704900
0.89834421 -0.39128302 8.93126378
0.00019258 -0.00030484 -0.00003775
0.01813810 0.02084065 0.03522551
-32.39040474 2.72505184 1.80549000
0.00010193 -0.00016864 0.00001359
0.01381401 -0.04744660 -0.00120892
14.14033322 13.86332052 -14.57287288
0.00047143 0.00027980 -0.00015803
-0.01692504 -0.00292709 0.00764517
-4.36186688 7.01261910 3.96775028
-0.00036295 -0.00008824 -0.00030811
0.01640394 0.01255564 -0.01900935
5.93468485 16.65450684 -8.30175353
0.00023003 -0.00012928 0.00036708
-0.02016404 0.01086965 0.03413374
6.69228509 7.31790380 -20.97571362
-0.00024336 0.00013282 0.00018980
0.02247305 0.01253054 -0.01315678
23.31792664 17.08793157 -2.06118496
-0.00003488 -0.00007485 0.00017224
0.03703812 0.00102392 -0.02567579
1.43416248 12.94025089 -20.85348627
0.00002587 -0.00008215 0.00006765
0.00510813 0.01166193 -0.00358299
10.44823328 -3.49234877 -1.70635426
-0.00008538 -0.00008820 -0.00028646
-0.01777981 -0.06045264 -0.01623912
-17.76118603 -2.70975158 4.77710768
0.00015568 -0.00022084 0.00006453
-0.00746076 -0.02216906 0.00423936
-15.22294966 0.06570774 18.49991564
0.00021847 -0.00016726 -0.00027602
-0.00641413 -0.01293600 -0.00522027
2.48538712 2.82826230 -2.80263336
-0.00060923 0.00012582 0.00023634
-0.01305278 0.00443450 0.00237911
23.48000715 -7.96447517 -9.76704300
0.00012255 -0.00019879 -0.00023303
0.02766609 0.03032054 0.02863991
1.61718565 -7.83993561 6.76752999
0.00031117 0.00014033 0.00005496
-0.00134798 -0.00581438 -0.01260198
-3.50031964 -0.90752156 -17.94562633
0.00044545 0.00042936 0.00025106
-0.00594115 -0.00678935 -0.00061434
3.01671775 4.23829921 -10.49544108
-0.00046822 -0.00008349 0.00033586
0.00830046 -0.00736718 0.01600784
-2.63598460 16.86437914 13.98160786
0.00004302 0.00013197 -0.00001903
0.00452700 0.00964175 0.04471764
-2.25689125 2.13776751 -7.01202787
0.00012577 0.00008402 0.00019277
-0.00644873 -0.02386483 -0.00494084
-6.80858156 -2.04019795 -4.55264361
-0.00006522 -0.00007677 -0.00017159
-0.01949717 -0.02925534 0.00258944
0.35857943 28.33632701 7.35618856
0.00003654 0.00009099 -0.00001117
-0.01549905 -0.01664740 -0.05228894
10.15787926 -9.15858745 -1.59188552
0.00009176 -0.00007474 -0.00029768
-0.02330830 -0.00148934 -0.01728119
-6.95952788 0.61144797 7.74745098
-0.00018325 0.00040304 0.00036004
-0.00518235 0.00510111 -0.00578471
18.86665564 11.61833771 6.42425328
0.00018463 -0.00015017 0.00018018
0.01144900 0.02319734 0.03655648
-3.39765279 -3.75338183 -23.23409403
-0.00015414 0.00010012 0.00005636
0.03208498 0.03376982 0.02561306
-13.64398178 8.35616427 8.50474691
0.00000934 0.00005823 0.00021486
0.00607214 0.00216312 -0.00108210
-12.28274916 7.32617177 -2.92186403
-0.00019161 -0.00019058 -0.00028054
0.01748345 0.03388692 0.03647879
-3.55566391 -16.46786224 20.55302547
-0.00044485 -0.00032825 0.00006486
0.00659843 0.01575166 0.01582902
-3.61676021 7.12945306 -7.83485965
-0.00039500 0.00028030 -0.00003101
0.02355164 -0.02575396 -0.04996374
-20.67713175 29.72999304 1.31166508
0.00017121 0.00015827 -0.00008057
0.03535011 -0.01254011 -0.00894892
9.88640344 3.11189422 7.40389714
0.00003649 -0.00003571 -0.00015548
-0.02467386 -0.02708276 -0.02354896
6.41178492 14.63186800 -12.87387191
0.00012053 0.00035559 0.00030362
-0.00218127 0.03020296 0.00235038
14.16528966 3.64746506 -2.72066931
0.00001340 -0.00035628 0.00013046
-0.05726352 0.00303594 0.01174396
-6.22190688 10.95406986 -0.32120582
0.00026334 -0.00020867 0.00006381
0.02479972 -0.02993182 -0.01774191
6.25906857 13.39773160 3.14397012
-0.00001039 0.00051931 0.00010046
-0.03706986 0.03318408 0.01048708
21.82894821 -12.14559509 -11.79307858
-0.00016213 0.00014926 -0.00003122
0.00070877 -0.02599289 0.03251387
16.84810651 -6.29670448 3.39194527
0.00029964 -0.00005575 -0.00009711
-0.01662845 -0.03253558 0.00630831
15.37989563 7.03931275 9.64492532
0.00008775 -0.00026558 -0.00029710
-0.02209359 0.01667703 0.00485569
3.00610755 -13.70760132 16.22182992
-0.00000228 -0.00001377 -0.00045551
0.00388550 -0.02401996 -0.01014356
-3.59683521 -1.17623697 -10.87657722
-0.00004439 -0.00030771 -0.00008708
0.03070961 0.02356075 -0.02363247
15.33660770 -7.79817201 -9.53661797
-0.00007992 0.00018705 -0.00006480
0.00619573 -0.00241019 0.05959925
9.20626528 -3.73723577 6.37140881
0.00023055 -0.00044974 0.00009006
-0.00898935 -0.00755551 0.00087260
-21.63136860 1.57629342 24.43557595
-0.00025097 -0.00001196 -0.00005297
0.00926961 0.02130624 0.02154556
24.89444064 -1.74756711 -6.53598563
-0.00006846 0.00000626 -0.00014837
0.00317965 -0.00312075 -0.00887710
11.89883167 -11.90659273 -10.05978626
0.00030209 -0.00020295 -0.00022190
0.00785507 0.00509626 0.01175938
-4.70977279 -10.45032814 16.57957989
0.00011940 -0.00037202 0.00018344
-0.01803711 -0.00080633 -0.00499449
8.22221369 2.53359119 -30.94414602
0.00004264 0.00029426 -0.00047190
0.01972280 -0.02248962 -0.00041066
10.99235371 16.93990925 14.60607427
0.00016696 -0.00030529 -0.00016522
-0.01490246 0.01338426 0.01636654
30.62993945 7.23645511 -7.42568559
0.00009746 -0.00016488 0.00034879
0.03916029 0.00437718 -0.00037110
5.52293859 -30.14620294 -5.10580629
-0.00065609 -0.00042811 0.00042688
0.00899848 0.01067410 -0.02300296
4.08843863 -30.51002723 -2.74915937
0.00029188 0.00100827 0.00069923
-0.00057326 -0.00544254 0.00596041
-12.65875342 -1.89274507 -13.23773298
0.00012170 -0.00032442 0.00048330
0.01025898 0.00504675 0.00436588
-11.73278677 0.84722467 -12.40532122
-0.00035409 -0.00052965 -0.00056064
-0.00297100 -0.01990472 -0.01237802
-37.89032385 4.23604831 2.70335126
0.00060486 0.00133585 0.00044342
-0.01092610 -0.02152036 0.00184927
-39.56751915 1.76523067 3.44530319
0.00043054 -0.00064583 0.00024327
0.00218040 0.00778311 -0.00554828
-10.09040741 -3.48701948 0.88748250
-0.00095924 0.00024243 0.00023881
-0.00201268 0.01090275 0.00715641
-8.53665617 -3.48342537 3.47339857
-0.00055591 0.00034044 -0.00059241
-0.02686055 0.01936984 -0.02696411
0.54709981 -0.65629523 7.24011857
0.00128423 0.00014802 -0.00013680
-0.01071062 -0.01294991 -0.04727179
1.84537083 1.20038072 8.86927235
-0.00033637 -0.00006490 -0.00027331
-0.00841164 -0.01282249 0.01047020
-32.70656400 0.83094709 1.99547797
-0.00088917 0.00023819 -0.00090891
0.01203361 0.02695999 0.00361384
-34.04009402 3.34828098 1.59593181
-0.00037118 0.00001730 -0.00073644
-0.02689515 0.01191373 0.00097374
12.66076351 12.99930161 -15.32925410
-0.00081762 -0.00024007 -0.00044670
0.02637682 0.00337904 0.00650378
15.59679891 12.72586794 -14.54180270
-0.00070240 0.00027595 0.00004432
-0.00753154 -0.00277353 -0.01849552
-3.97828704 8.79813404 4.33461958
-0.00036688 -0.00016443 -0.00010271
-0.00718208 -0.00716721 0.01228635
-3.70792439 6.94218280 2.22050904
-0.00083454 -0.00071627 0.00108466
-0.00814615 -0.01402984 0.01396280
6.13674724 15.75732029 -9.84602499
0.00016725 -0.00023438 0.00001144
0.00657536 -0.01033977 -0.02972319
7.62423992 17.03104685 -7.73135504
0.00009242 0.00016134 0.00027353
0.01140604 -0.00215725 -0.00103863
7.61079017 7.32530860 -22.64849522
-0.00006181 0.00017664 -0.00047711
-0.00933907 -0.00729140 0.01514039
7.80223959 8.48854124 -20.00031597
-0.00016868 0.00107913 -0.00088961
-0.00816895 -0.01292449 -0.00315676
21.60639756 17.55779919 -2.45990673
-0.00017097 -0.00081223 0.00046065
-0.01115769 0.00200283 0.00630842
24.35396802 17.79823461 -3.46381269
-0.00067978 -0.00004623 -0.00021403
-0.01520609 -0.00408206 0.01712525
1.07608762 11.17320104 -21.01516548
-0.00030158 0.00033900 0.00129485
-0.00610774 -0.01421854 -0.00359657
0.67714076 13.85465044 -22.25140759
0.00043281 0.00025624 0.00047289
0.00261817 -0.00065623 0.00414466
9.89868215 -5.38389778 -1.72482374
0.00095758 0.00083253 -0.00007361
0.01833429 0.04414989 0.00043575
9.83310690 -2.86413795 -3.30723115
0.00118321 -0.00063271 -0.00045252
-0.00551157 0.00225089 0.00294354
-18.57556106 -4.28836181 5.33700267
0.00083608 0.00022529 0.00037754
0.00009518 0.00877311 0.01017193
-17.44509423 -3.24010671 3.07772739
-0.00096200 -0.00003548 -0.00006685
0.00415824 0.00634928 -0.01526831
-15.38401066 0.46151601 16.73378315
0.00013102 0.00039199 0.00022697
0.00031396 0.00177470 -0.00777457
-13.81312081 1.03289516 19.02317209
-0.00029275 0.00017844 0.00047612
0.01088843 0.01165411 0.00844044
3.13219377 4.01489917 -3.99755704
0.00017895 0.00043021 0.00078488
-0.00000315 0.01276787 -0.00278651
3.37156175 1.33405276 -3.28779502
0.00074798 0.00102454 -0.00066042
0.00986175 -0.01389443 0.00051559
23.35794542 -9.63024994 -10.39086353
0.00048881 0.00001718 -0.00017060
-0.01275559 -0.03277764 -0.01285129
24.98754941 -7.97136202 -8.67886004
0.00052415 0.00010882 -0.00006279
-0.01347676 0.00707417 -0.01182134
2.39545072 -9.18776861 5.76732866
-0.00015290 -0.00013806 0.00000700
-0.00478553 0.01445587 0.00664471
2.05562414 -8.19313724 8.49693229
-0.00098742 0.00044726 0.00129581
0.00492983 0.00539839 0.00038029
-3.38109996 -2.73768938 -17.96464573
0.00043299 -0.00040463 -0.00040714
-0.00331511 0.00451026 0.00239994
-5.08044137 -0.52142124 -17.01453844
0.00011751 -0.00051708 0.00028888
0.01198229 0.00027774 0.00049975
2.04548176 4.83773975 -11.86443374
0.00035040 0.00063582 -0.00061822
-0.00826388 0.01194973 -0.03245183
1.73660801 4.30046039 -9.21738440
-0.00005036 0.00055253 0.00051628
-0.00052275 -0.00704235 0.01446042
-1.03359810 16.09731954 13.48874043
-0.00062210 -0.00106189 0.00116829
0.00660218 -0.01021731 -0.01029877
-2.38082172 17.07821749 15.85068506
0.00022624 -0.00033904 0.00029838
-0.01329203 -0.00449437 -0.03452674
-2.01085171 1.25037926 -5.42912239
-0.00072465 0.00072761 0.00007900
-0.00018273 0.00758995 -0.00243503
-3.04594683 0.81414679 -8.14318805
-0.00099727 -0.00052660 -0.00039157
0.00872161 0.01915371 0.00384379
-8.37372598 -3.08931595 -4.42893415
-0.00108707 -0.00009746 0.00093287
0.02271896 0.01307612 -0.00400881
-7.34471426 -0.44037437 -3.92590889
-0.00032194 0.00046061 0.00010413
-0.00332565 0.01880615 0.00200682
1.28147733 28.19618696 5.68452510
0.00071069 -0.00004521 -0.00026202
-0.01331899 0.00666800 0.03072346
-1.44117694 28.13535025 6.68597101
-0.00141095 -0.00057722 0.00013572
0.03084399 0.00801750 0.01412628
8.33128885 -9.38711122 -1.96899122
0.00037307 -0.00031103 0.00032439
0.01409060 0.00649048 -0.00448672
10.28456839 -9.74731521 0.12014210
0.00091112 0.00071533 0.00046471
0.01065300 -0.00218982 0.01554431
-5.82717825 0.42908654 9.23431848
-0.00034386 -0.00026129 -0.00101687
-0.01744660 -0.01248391 -0.00850730
-8.61573939 -0.19490390 8.00348099
-0.00012099 -0.00011086 -0.00025688
0.02067417 0.00346992 0.01091600
19.50686861 11.33433274 8.20390744
0.00003778 -0.00031571 0.00064411
-0.00493063 -0.00949364 -0.03007654
19.58494589 13.32585450 6.16195114
0.00052062 0.00046459 0.00069821
-0.00536881 -0.01754095 -0.00874911
-2.74059805 -2.05944523 -22.62701714
-0.00051016 0.00130840 -0.00058683
-0.01527956 -0.03779551 -0.00708012
-4.81019080 -3.27709938 -24.23329200
0.00003902 0.00139083 -0.00008241
-0.02518230 0.00724619 -0.02108524
-12.46150323 9.12428443 9.67724280
-0.00002440 -0.00018160 0.00043096
-0.00143024 -0.00110488 0.00966880
-12.89395328 8.95712030 6.94525260
0.00041716 0.00056879 0.00066190
-0.00366939 -0.00160901 -0.01142857
-12.98313305 7.39236467 -4.62100710
-0.00091335 0.00044679 -0.00028206
-0.00598019 0.00054550 -0.01478202
-11.85520748 9.14078841 -2.50207763
-0.00090130 -0.00041554 -0.00038317
-0.00558890 -0.02979829 -0.00884307
-5.01604253 -17.28584590 19.83942005
0.00013473 0.00072131 0.00072373
-0.01358332 -0.00836529 -0.00144897
-2.22430412 -16.50148742 19.34914621
-0.00026630 0.00119570 -0.00022284
0.00898516 -0.00171823 -0.00653237
-3.37771765 5.44084427 -7.19805106
0.00064484 0.00038350 -0.00048037
0.00004123 -0.00842555 0.00369263
-4.13570389 8.23273233 -6.58778293
-0.00129861 -0.00013310 0.00110053
-0.01586152 0.03622131 0.03795105
-21.16367698 28.00579071 0.82462551
-0.00011002 0.00015048 0.00137614
0.00134053 0.01190811 0.00393699
-18.75554194 29.75334947 0.98042356
-0.00079721 0.00083985 -0.00092785
-0.03639081 -0.00090230 0.01064127
8.25870285 2.69845386 6.48878114
-0.00077959 -0.00025497 -0.00024942
0.02969377 0.00071561 0.00159108
9.43355200 4.63103466 8.19738575
0.00073277 0.00057951 0.00115258
-0.00692470 0.03838390 0.01809879
7.33667668 15.84329567 -13.93484124
-0.00016206 0.00004203 0.00236184
-0.00304236 -0.00264313 0.00166929
7.24064890 13.10449839 -13.18417152
0.00193933 0.00018152 -0.00049236
0.01240834 -0.03134669 -0.00580128
12.96980704 5.07688470 -3.14773731
-0.00085367 -0.00003110 0.00057221
0.02139019 -0.01951429 0.00160937
13.02223235 2.86498009 -1.32749238
0.00020130 -0.00032715 -0.00026445
0.03730223 0.01826785 -0.01642180
-4.85065230 9.63524496 -0.60235751
0.00036873 0.00052718 -0.00118432
-0.03097043 0.02339270 0.00500410
-7.79482226 9.98414280 -0.44499042
-0.00000637 -0.00076142 0.00006611
0.01200960 0.00753342 0.00895751
4.76478051 13.19890503 2.05818334
0.00099137 0.00031675 -0.00024097
0.00827121 -0.00479960 0.00482131
7.58595499 12.33427230 2.71738827
0.00090241 -0.00056749 -0.00006688
0.02603565 -0.02503492 -0.00964177
21.21471468 -13.09599642 -10.25671173
0.00018212 -0.00054459 -0.00013743
0.00147767 0.01416605 -0.02809060
22.72286966 -13.44217685 -12.81796547
0.00114074 0.00024049 -0.00056008
-0.01320266 0.00852579 0.00097877
17.59786120 -5.85680918 1.84582756
-0.00093222 0.00106147 -0.00080521
0.01736548 0.02065145 -0.02970612
16.38254853 -8.05204885 2.90799564
-0.00011749 0.00068053 0.00028233
-0.00130642 0.01675153 0.01776927
14.35315453 8.23841904 10.70080132
0.00038303 -0.00018259 -0.00098634
0.01062594 -0.01721086 -0.01573032
16.71873007 6.55256215 10.75495044
0.00017327 0.00003573 -0.00031248
0.00606430 -0.00117380 0.00848467
1.43155893 -13.38524969 15.38677949
-0.00090839 0.00031289 0.00180987
-0.00189920 0.00582484 0.00440350
3.42275825 -12.33863319 17.30995700
-0.00083196 0.00059770 -0.00039182
0.00039430 0.01694408 0.00650687
-3.48080705 -2.64922803 -9.84220092
-0.00016213 0.00015828 0.00041564
-0.00315957 -0.02151412 0.01136001
-1.89536075 -1.17856911 -11.80537991
0.00004628 -0.00083880 -0.00035640
-0.02795113 0.00910481 0.01534942
15.07038601 -7.94028840 -11.24878328
-0.00082216 -0.00083464 -0.00027828
-0.01293139 0.00011889 -0.06347201
17.02205385 -7.06789419 -9.24901611
0.00035033 -0.00000552 0.00037204
-0.00349813 0.00326031 0.00443350
7.54649211 -3.19634739 5.61980542
0.00088450 -0.00099646 0.00021702
0.02017643 -0.00754945 -0.00057634
10.50557130 -4.12895879 5.04934364
0.00064914 -0.00080421 -0.00014464
-0.02936499 0.01537267 0.01109735
-20.96364722 0.93990308 22.92171834
0.00050937 -0.00038960 0.00027805
0.00592764 -0.00716179 -0.02308671
-23.20358739 0.76600024 24.82039460
-0.00006299 0.00037443 -0.00087402
-0.01193774 -0.00793083 0.00566245
25.86606813 -2.50940122 -7.91715341
0.00097399 -0.00031830 0.00023225
-0.00237193 -0.00383836 0.00965729
23.64377802 -0.72609765 -7.36677846
-0.00025193 -0.00005475 -0.00028302
-0.00268543 0.00297056 -0.00118922
10.98976403 -12.75847496 -8.67397621
-0.00103800 0.00082104 0.00047927
0.00497491 0.00881512 -0.00716501
12.99297349 -10.51312026 -9.44495120
0.00100125 -0.00019124 0.00031032
-0.01336405 -0.01643071 -0.00407264
-5.61082208 -10.41157742 18.19212998
0.00066512 -0.00018989 -0.00023141
0.00359278 0.00090470 -0.00176172
-5.95227282 -9.93515528 15.27098856
0.00048535 0.00035763 -0.00140354
0.01686601 -0.00229925 0.01402338
9.21949195 1.14171549 -31.77247797
-0.00024536 -0.00045435 0.00021409
-0.01466246 0.00958008 0.01335091
6.83837231 2.75956001 -32.07774856
0.00072916 0.00021912 -0.00112748
-0.01451687 0.00381050 -0.00530533
11.39681507 17.70946798 13.04273479
0.00007577 -0.00048349 -0.00073785
0.00288310 0.02027798 -0.01783754
11.91946013 15.43208537 14.44033542
0.00016930 0.00014599 -0.00047760
0.01590222 -0.02317815 0.00402264
31.05609995 5.48639738 -7.85816695
0.00031697 0.00041704 -0.00010052
-0.00438337 -0.00491933 -0.00531573
28.87889908 7.35721875 -7.57296682
-0.00121592 0.00011407 -0.00060937
-0.04026405 0.00602451 -0.00518454
-8.38224998 4.82055114 5.66030300
0.00011961 -0.00004122 0.00003981
0.00744336 0.00317229 0.00031918
-10.73084811 10.12884037 3.35401472
-0.00000622 -0.00005232 -0.00007091
-0.00819162 -0.00317429 0.00498929
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08299453
0.33481705
446.12692674
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3363832552 (a.u.)
total exchange computation time: 2.7127020359 s
-154.0315011380
-931.41922300
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3361193264 (a.u.)
total exchange computation time: 2.7140109539 s
-154.0341469393
Anderson extrapolation: theta=1.3494720555 (1.3494720555)
-931.41945830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.239 s
total exchange = -52.3356908001 (a.u.)
total exchange computation time: 2.7136461735 s
-154.0381923585
Anderson extrapolation: theta=0.0536814330 (0.0536814330)
-931.41959790
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.239 s
total exchange = -52.3356089352 (a.u.)
total exchange computation time: 2.7134969234 s
-154.0388572506
Anderson extrapolation: theta=2.0098263813 (2.0000000000)
-931.41960338
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3354293046 (a.u.)
total exchange computation time: 2.7144229412 s
-154.0402791725
Anderson extrapolation: theta=0.2370285391 (0.2370285391)
-931.41960938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3353863351 (a.u.)
total exchange computation time: 2.7139360905 s
-154.0405880956
Anderson extrapolation: theta=1.8136046822 (1.8136046822)
-931.41961058
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3353299174 (a.u.)
total exchange computation time: 2.7136800289 s
-154.0409516013
Anderson extrapolation: theta=0.2863914396 (0.2863914396)
-931.41961197
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3353347375 (a.u.)
total exchange computation time: 2.7127649784 s
-154.0408703865
Anderson extrapolation: theta=1.2628526510 (1.2628526510)
-931.41961230
-122.740277 76.211657 -35.923371
566.886187 1066.682829 -418.208928
444.145910 1142.894486 -454.132299
1307.558619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3353554170 (a.u.)
total exchange computation time: 2.7139949799 s
678.11500085
-1082.63735215
89.99625306
-389.84571996
-174.71243892
77.68287569
551.60419304
0.00000000
-931.41961254
5.35531833 -31.34931318 -3.77564789
-0.00037000 -0.00014870 -0.00007701
-0.01580197 -0.00368940 0.02234322
-11.86766284 -0.92865656 -11.81256187
0.00004184 0.00022076 0.00007990
0.00318278 0.00526148 0.00311993
-37.86573685 2.40917009 3.19119311
0.00001785 0.00014920 -0.00018305
0.00672831 0.02072330 0.00609364
-10.02156272 -2.64064832 2.54623080
-0.00022175 0.00016795 0.00031387
0.04378925 -0.02352154 0.02407243
0.90130290 -0.39577525 8.93083347
0.00020183 -0.00029413 -0.00001964
0.01783406 0.02083060 0.03519723
-32.38882256 2.72233927 1.80568923
0.00010742 -0.00019208 0.00001267
0.00756210 -0.04370310 -0.00236280
14.14733940 13.86750625 -14.57521390
0.00045965 0.00027831 -0.00015494
-0.02890247 -0.00288083 0.00439432
-4.36724779 7.01134395 3.96305529
-0.00035543 -0.00008182 -0.00031535
0.01283376 0.01242331 -0.00912930
5.93805758 16.65260962 -8.29611570
0.00021955 -0.00012410 0.00038382
-0.02060671 0.00927632 0.03097714
6.68872139 7.31994449 -20.97291742
-0.00023121 0.00013944 0.00018220
0.02476654 0.01321047 -0.01638398
23.31754634 17.08681271 -2.05870036
-0.00001580 -0.00007446 0.00015918
0.03714740 0.00049992 -0.02512300
1.43457030 12.93906362 -20.85248538
0.00002908 -0.00007550 0.00006647
0.00737030 0.01418083 -0.00098849
10.44688396 -3.49390490 -1.71071377
-0.00009366 -0.00011818 -0.00029394
-0.01439148 -0.05613087 -0.01286679
-17.75887956 -2.71314971 4.77809194
0.00015223 -0.00023133 0.00006657
-0.00595877 -0.01860631 0.00369261
-15.21969741 0.06314887 18.49575527
0.00021526 -0.00017396 -0.00027797
-0.00605665 -0.01310722 -0.00238410
2.47619836 2.83016672 -2.79907905
-0.00061532 0.00012791 0.00023701
-0.01064657 0.00368382 0.00020769
23.48195210 -7.96734005 -9.77042793
0.00013728 -0.00018278 -0.00021777
0.02962488 0.03192443 0.03070501
1.62184794 -7.83785309 6.76830579
0.00031063 0.00013728 0.00004995
-0.00073834 -0.00602715 -0.00689275
-3.49366075 -0.90110736 -17.94186279
0.00044222 0.00042425 0.00025086
-0.00663148 -0.01309724 -0.00016611
3.00972649 4.23701838 -10.49034150
-0.00046421 -0.00008688 0.00034285
0.00727751 -0.00579578 0.01117855
-2.63532176 16.86639582 13.98149489
0.00004498 0.00013693 0.00000464
0.00308535 0.00966112 0.04734994
-2.25502956 2.13893577 -7.00915543
0.00012156 0.00007125 0.00018832
-0.00991296 -0.02578017 -0.01234953
-6.80963509 -2.04146241 -4.55520748
-0.00007685 -0.00009118 -0.00016953
-0.02572738 -0.02675417 0.00543625
0.35906771 28.33762759 7.35581925
0.00002753 0.00008219 -0.00003886
-0.01953416 -0.01753983 -0.05535956
10.15916570 -9.15971425 -1.59641733
0.00008052 -0.00007579 -0.00030537
-0.02037653 -0.00261764 -0.01263117
-6.96229669 0.61751328 7.75282926
-0.00018708 0.00040580 0.00035550
-0.00969915 0.00561890 -0.01188029
18.86946932 11.61617469 6.42709693
0.00019100 -0.00013747 0.00019924
0.01329954 0.02616458 0.03756918
-3.39984115 -3.75174972 -23.23314980
-0.00013813 0.00011884 0.00006930
0.03018738 0.03901865 0.02469586
-13.64381828 8.35704611 8.50796557
0.00001255 0.00005942 0.00021439
0.00643391 0.00246125 -0.00072520
-12.28555584 7.32344384 -2.92593149
-0.00018308 -0.00017361 -0.00026235
0.01566885 0.03208617 0.03427018
-3.56231118 -16.47272525 20.55405949
-0.00043896 -0.00031905 0.00007360
0.01629377 0.02001748 0.01814810
-3.62259437 7.13355824 -7.83551755
-0.00038358 0.00026881 -0.00005505
0.02085878 -0.01892937 -0.04350859
-20.67442719 29.73231873 1.31042195
0.00018838 0.00015245 -0.00008486
0.03139642 -0.01009973 -0.00773101
9.88685559 3.11125413 7.40147416
0.00002261 -0.00004800 -0.00016692
-0.02931207 -0.02070180 -0.02096230
6.41358452 14.63731828 -12.86930854
0.00011959 0.00036669 0.00030583
-0.00150199 0.01299564 0.00625635
14.16526983 3.64213250 -2.71866712
-0.00001644 -0.00035390 0.00013601
-0.05880229 0.00624563 0.00985455
-6.21786106 10.95082435 -0.32031716
0.00027503 -0.00022415 0.00005461
0.02064950 -0.03026263 -0.01801991
6.25876975 13.40564918 3.14551754
-0.00002581 0.00053419 0.00010546
-0.02290818 0.02471415 0.00893644
21.82651901 -12.14345644 -11.79342150
-0.00016108 0.00013498 -0.00001516
0.00337169 -0.02953637 0.02996302
16.85253692 -6.29766625 3.39051297
0.00029178 -0.00007096 -0.00009442
-0.01393409 -0.02661806 0.00415437
15.38112673 7.03539332 9.64048753
0.00007683 -0.00025746 -0.00029512
-0.02037187 0.01492823 0.00286385
3.00608833 -13.70790058 16.21495819
-0.00000003 -0.00002515 -0.00046003
0.00485970 -0.02022493 -0.00742953
-3.59738261 -1.18076175 -10.87797455
-0.00002851 -0.00029559 -0.00009930
0.03103894 0.02358642 -0.02387535
15.33543273 -7.79537550 -9.53736013
-0.00007655 0.00018583 -0.00003513
0.00692842 -0.00234379 0.05579307
9.20968882 -3.74401105 6.37276311
0.00022748 -0.00045408 0.00009053
-0.00295529 -0.00931037 0.00094113
-21.63509742 1.57619616 24.43486458
-0.00024520 -0.00000074 -0.00004253
0.01317319 0.02235143 0.01903224
24.89342600 -1.74748532 -6.53824535
-0.00006663 0.00000450 -0.00015330
0.00395317 -0.00370344 -0.01030303
11.90339337 -11.90961730 -10.06306940
0.00030602 -0.00020009 -0.00021458
0.00741746 0.00601131 0.01669629
-4.70805141 -10.45591151 16.58231224
0.00011003 -0.00037210 0.00017867
-0.01837374 0.00046508 -0.01356655
8.22292942 2.53791837 -30.95122608
0.00005293 0.00028254 -0.00047203
0.02026184 -0.02310444 -0.00010980
10.99480058 16.93538147 14.60365909
0.00015919 -0.00029739 -0.00015772
-0.01528259 0.01735997 0.01281541
30.63155240 7.23399880 -7.42045522
0.00011384 -0.00016153 0.00034839
0.02453860 0.00865240 -0.00115903
5.51337294 -30.15229750 -5.10010803
-0.00061783 -0.00037860 0.00032551
0.00972977 0.01356019 -0.02661551
4.09279933 -30.49506995 -2.73848829
0.00029432 0.00098177 0.00071968
0.00176732 -0.00753100 0.00405281
-12.65661360 -1.89745671 -13.23034968
0.00016318 -0.00030425 0.00050067
0.01004953 0.00482614 0.00413852
-11.73818919 0.83866998 -12.41411009
-0.00036538 -0.00060343 -0.00061247
-0.00255466 -0.01620867 -0.01299331
-37.88158578 4.25542662 2.71005916
0.00055819 0.00123768 0.00045305
-0.01191689 -0.02653588 0.00286813
-39.56099426 1.75578178 3.44878225
0.00043828 -0.00061239 0.00022033
0.00161026 0.00858366 -0.00567951
-10.10485771 -3.48304891 0.89128393
-0.00096710 0.00028743 0.00026849
-0.00183406 0.01112319 0.00737053
-8.54581785 -3.47772525 3.46368610
-0.00065909 0.00041633 -0.00069781
-0.02365049 0.01777826 -0.02462625
0.56603512 -0.65447176 7.23661800
0.00123982 0.00009325 -0.00033183
-0.01102987 -0.01386206 -0.04819744
1.84006756 1.19901425 8.86549355
-0.00036965 -0.00011558 -0.00022845
-0.00787860 -0.01198178 0.01148685
-32.71953281 0.83534614 1.98195507
-0.00083892 0.00034449 -0.00089235
0.01256363 0.02507288 0.00448969
-34.04648581 3.34890563 1.58491511
-0.00046960 0.00006293 -0.00073104
-0.02128432 0.01041941 0.00166739
12.64930748 12.99580417 -15.33575523
-0.00069657 -0.00021840 -0.00041359
0.03287639 0.00722814 0.00969932
15.58603215 12.72992226 -14.54170461
-0.00072199 0.00025629 -0.00003103
-0.00205642 -0.00684970 -0.01839134
-3.98401029 8.79544797 4.33345549
-0.00039584 -0.00019308 -0.00005306
-0.00699285 -0.00685786 0.01201308
-3.72069204 6.93100888 2.23720679
-0.00086067 -0.00077341 0.00112235
-0.00464911 -0.01394203 0.00448839
6.13945744 15.75348780 -9.84676418
0.00019371 -0.00027316 -0.00010388
0.00637769 -0.00864357 -0.02672872
7.62597581 17.03340092 -7.72728388
0.00013994 0.00015227 0.00026949
0.01185503 -0.00228419 -0.00093982
7.60957682 7.32773479 -22.65518785
-0.00010319 0.00014590 -0.00040973
-0.01091547 -0.00775845 0.01783794
7.79945912 8.50433217 -20.01375681
-0.00020270 0.00102509 -0.00090136
-0.00848662 -0.01352890 -0.00259636
21.60349111 17.54567711 -2.45280375
-0.00021802 -0.00080334 0.00048629
-0.01187577 0.00234889 0.00624528
24.34330535 17.79741607 -3.46649842
-0.00074060 -0.00006213 -0.00014504
-0.01456645 -0.00370157 0.01664873
1.07137683 11.17785033 -20.99585287
-0.00032870 0.00027536 0.00127836
-0.00716893 -0.01693136 -0.00447550
0.68371310 13.85847400 -22.24418718
0.00044082 0.00025426 0.00048610
0.00130524 -0.00031447 0.00232181
9.91360761 -5.37005698 -1.72591446
0.00102795 0.00100155 -0.00007241
0.01611290 0.03858966 0.00015045
9.85068616 -2.87355963 -3.31392880
0.00115800 -0.00062091 -0.00044677
-0.00682942 0.00352718 -0.00012723
-18.56301695 -4.28471358 5.34297754
0.00083272 0.00025428 0.00042160
-0.00173922 0.00541428 0.01139337
-17.45939683 -3.24044431 3.07625682
-0.00094469 -0.00000988 -0.00013047
0.00431440 0.00618327 -0.01587548
-15.38203576 0.46745030 16.73694941
0.00013204 0.00040060 0.00018973
0.00018621 0.00243858 -0.01045110
-13.81717846 1.03592893 19.03057259
-0.00024917 0.00022552 0.00051012
0.01044801 0.01138878 0.00820267
3.13487789 4.02174349 -3.98586921
0.00017691 0.00048297 0.00077547
-0.00099612 0.01306191 -0.00182186
3.38308362 1.34899503 -3.29768555
0.00078570 0.00096823 -0.00065597
0.00860137 -0.01366964 0.00166509
23.36488674 -9.63099670 -10.39381634
0.00043648 -0.00012010 -0.00022356
-0.01286256 -0.03441993 -0.01307442
24.99499874 -7.96951288 -8.68016411
0.00046490 0.00013754 -0.00011414
-0.01552616 0.00698005 -0.01331581
2.39301061 -9.18939659 5.76763727
-0.00017178 -0.00007935 0.00003605
-0.00445601 0.01428468 0.00757621
2.04096395 -8.18626291 8.51638109
-0.00096947 0.00047022 0.00128385
0.00385461 0.00583848 -0.00623257
-3.37470673 -2.74362063 -17.97067923
0.00041922 -0.00037412 -0.00039722
-0.00342377 0.01042485 0.00245567
-5.07831156 -0.52916896 -17.01018997
0.00016756 -0.00051518 0.00028994
0.01251971 0.00065235 0.00002191
2.05048453 4.84764316 -11.87470149
0.00032103 0.00068070 -0.00074033
-0.00611065 0.01002340 -0.02732077
1.73583653 4.30853247 -9.20919709
-0.00005489 0.00052447 0.00057458
-0.00169386 -0.00668963 0.01407657
-1.04272727 16.08107806 13.50594915
-0.00059057 -0.00110515 0.00112256
0.00883098 -0.01095609 -0.01208331
-2.37783541 17.07299421 15.85410283
0.00017028 -0.00035642 0.00015569
-0.01410325 -0.00401231 -0.03532117
-2.02172700 1.26152594 -5.42801199
-0.00072422 0.00075417 0.00007607
0.00039206 0.00541067 0.00100211
-3.06063856 0.80683470 -8.14894385
-0.00095539 -0.00044004 -0.00036860
0.01177515 0.02321890 0.00739873
-8.38933581 -3.09037723 -4.41506393
-0.00098491 -0.00003921 0.00091515
0.02728744 0.01544222 -0.00466553
-7.34964530 -0.43288892 -3.92428549
-0.00033166 0.00052794 0.00010811
-0.00143150 0.01415332 -0.00005598
1.29172949 28.19571314 5.68153623
0.00065119 -0.00001770 -0.00013243
-0.01580256 0.00679932 0.03271218
-1.46139604 28.12693765 6.68843966
-0.00127101 -0.00054251 0.00019566
0.03765735 0.00897356 0.01521385
8.33731668 -9.39157771 -1.96426282
0.00042612 -0.00028492 0.00030557
0.01187805 0.00628699 -0.00472963
10.29856166 -9.73665234 0.12758901
0.00095341 0.00070882 0.00051919
0.01004706 -0.00099636 0.01112766
-5.83287083 0.42478466 9.21880477
-0.00040698 -0.00031329 -0.00103946
-0.01345012 -0.01296936 -0.00255224
-8.61692067 -0.19646040 7.99996222
-0.00003554 -0.00009613 -0.00021187
0.02115092 0.00373816 0.01111763
19.50728425 11.32930622 8.21264751
0.00001665 -0.00035395 0.00051777
-0.00541534 -0.00922604 -0.03176748
19.59259066 13.33228588 6.17215614
0.00049592 0.00038596 0.00066316
-0.00672167 -0.02095233 -0.00840880
-2.74871868 -2.04097741 -22.63603653
-0.00057208 0.00114685 -0.00061583
-0.01503192 -0.04128658 -0.00711641
-4.81037723 -3.25601485 -24.23517432
-0.00006075 0.00141634 -0.00016695
-0.02365130 0.00523800 -0.02029716
-12.46191301 9.12152658 9.68400351
-0.00003051 -0.00018642 0.00047089
-0.00156150 -0.00125448 0.00987491
-12.88780830 8.96560287 6.95483090
0.00040187 0.00056171 0.00061404
-0.00381742 -0.00185572 -0.01200038
-12.99701652 7.39908327 -4.62569103
-0.00093610 0.00044709 -0.00033914
-0.00515914 -0.00039910 -0.01315451
-11.86889826 9.13364220 -2.50809619
-0.00092156 -0.00053213 -0.00041704
-0.00432550 -0.02727264 -0.00773336
-5.01443778 -17.27528256 19.85023166
0.00006577 0.00067877 0.00070908
-0.02017221 -0.01245719 -0.00572251
-2.22802322 -16.48360457 19.34560346
-0.00023513 0.00118806 -0.00024603
0.00626891 -0.00202137 -0.00482157
-3.36804374 5.44633858 -7.20514346
0.00064494 0.00034686 -0.00046478
0.00000465 -0.00950926 0.00393835
-4.15566902 8.23184574 -6.57011203
-0.00135772 0.00000286 0.00124157
-0.01307663 0.03033095 0.03108673
-21.16528624 28.00841287 0.84538825
-0.00010486 0.00019493 0.00139042
0.00118883 0.00984858 0.00305315
-18.76861515 29.76591950 0.96683182
-0.00093834 0.00083470 -0.00088505
-0.03269284 -0.00161477 0.01031001
8.24791887 2.69465125 6.48508865
-0.00065182 -0.00024803 -0.00023870
0.03285357 0.00267894 0.00365542
9.44433133 4.64090347 8.21522913
0.00070739 0.00071919 0.00121669
-0.00549717 0.02999389 0.01328063
7.33415254 15.84384518 -13.89936253
-0.00016478 0.00004665 0.00235586
0.00171083 0.00490185 -0.00459668
7.27011908 13.10626057 -13.19173470
0.00197842 0.00007296 -0.00051126
0.00672535 -0.02179457 -0.00344951
12.95765746 5.07582024 -3.13910480
-0.00076170 -0.00011523 0.00057921
0.02363150 -0.02166890 0.00181702
13.02639497 2.86063255 -1.33196239
0.00035171 -0.00025471 -0.00032857
0.03632328 0.01719485 -0.01496232
-4.84607036 9.64386954 -0.61996902
0.00024454 0.00061951 -0.00116294
-0.02982065 0.02180165 0.00546121
-7.79454985 9.97295235 -0.44372431
0.00004887 -0.00072701 0.00010283
0.01503159 0.00930976 0.00901697
4.77990447 13.20350922 2.05471649
0.00101795 0.00029649 -0.00022549
0.00473963 -0.00511922 0.00275907
7.60028894 12.32499278 2.71608964
0.00098769 -0.00065210 -0.00009858
0.01571122 -0.01638390 -0.00587777
21.21749174 -13.10373125 -10.25963393
0.00018849 -0.00048592 -0.00025262
0.00164124 0.01455676 -0.02829618
22.73957614 -13.43830829 -12.82633660
0.00108078 0.00028154 -0.00055048
-0.01614669 0.01157134 0.00371948
17.58440998 -5.84025428 1.83283918
-0.00086562 0.00114250 -0.00091911
0.01523785 0.01901415 -0.02605187
16.38074620 -8.04132765 2.91277505
-0.00012373 0.00074045 0.00035181
-0.00174742 0.01258048 0.01624340
14.35922559 8.23515275 10.68552427
0.00042319 -0.00024948 -0.00104649
0.00903104 -0.01553120 -0.01371609
16.72151498 6.55306220 10.75052326
0.00019788 0.00003098 -0.00027763
0.00598206 -0.00115584 0.00857264
1.41787495 -13.38037778 15.41406241
-0.00091956 0.00033463 0.00182445
-0.00357322 0.00481497 0.00273598
3.41029090 -12.32914849 17.30427915
-0.00082890 0.00066146 -0.00036726
0.00110482 0.01426524 0.00551356
-3.48333578 -2.64751309 -9.83561817
-0.00017458 0.00007019 0.00046181
-0.00293627 -0.02160706 0.01123770
-1.89552310 -1.19087205 -11.81025559
-0.00006893 -0.00080114 -0.00029272
-0.02844520 0.00932609 0.01582423
15.05765734 -7.95280438 -11.25490250
-0.00087160 -0.00083288 -0.00052694
-0.01127099 0.00074351 -0.05824593
17.02720156 -7.06787713 -9.24329964
0.00033183 0.00000661 0.00038707
-0.00555598 0.00268116 0.00292213
7.56037783 -3.21152568 5.62304309
0.00095946 -0.00102458 0.00021079
0.01651958 -0.00621342 -0.00247329
10.51440861 -4.14055080 5.04751414
0.00052501 -0.00073981 -0.00009522
-0.03139971 0.01614754 0.01309362
-20.95582506 0.93383961 22.92518172
0.00053258 -0.00041736 0.00018696
0.00543259 -0.00642857 -0.02150482
-23.20489810 0.77137371 24.80745775
-0.00011828 0.00033872 -0.00084900
-0.01512402 -0.00955294 0.00658872
25.88060529 -2.51429337 -7.91337367
0.00096007 -0.00033100 0.00027477
-0.00444051 -0.00237575 0.01115345
23.63991684 -0.72682793 -7.37106016
-0.00026036 -0.00004459 -0.00028775
-0.00144355 0.00200550 -0.00112747
10.97434645 -12.74588922 -8.66700675
-0.00101281 0.00085956 0.00044283
0.00735639 0.01003976 -0.01067222
13.00758272 -10.51649242 -9.44042118
0.00094246 -0.00026284 0.00029103
-0.01541285 -0.01861397 -0.00537140
-5.60073524 -10.41439798 18.18860487
0.00067344 -0.00018499 -0.00023213
0.00048332 0.00149183 0.00141016
-5.94447578 -9.92986123 15.25036513
0.00056066 0.00034478 -0.00133554
0.02000019 -0.00399237 0.01926376
9.21536225 1.13519373 -31.76885746
-0.00030461 -0.00041426 0.00026844
-0.01434262 0.01004627 0.01325252
6.84886483 2.76296364 -32.09482331
0.00066839 0.00023520 -0.00114973
-0.01522975 0.00405819 -0.00558786
11.39804001 17.70283706 13.03112044
0.00008540 -0.00040335 -0.00080346
0.00182747 0.01895178 -0.01427982
11.92248693 15.43356501 14.43329467
0.00023727 0.00004603 -0.00046087
0.01737070 -0.02575217 0.00416743
31.06072013 5.49250219 -7.85983771
0.00029985 0.00039180 -0.00012326
-0.00399458 -0.00743268 -0.00581421
28.85942649 7.35911440 -7.58226625
-0.00135207 0.00013601 -0.00062845
-0.02638190 0.00471521 -0.00415405
-8.38043590 4.81994137 5.66090094
0.00012224 -0.00004012 0.00003991
0.00728884 0.00297087 0.00028819
-10.73095566 10.12805011 3.35295976
-0.00000812 -0.00005301 -0.00006974
-0.00816855 -0.00282470 0.00505596
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08299679
0.33661574
448.52360141
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3274117866 (a.u.)
total exchange computation time: 2.7139298916 s
-153.9974663636
-931.42023099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3272800420 (a.u.)
total exchange computation time: 2.7148981094 s
-153.9989911471
Anderson extrapolation: theta=1.3441858305 (1.3441858305)
-931.42045224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3270187592 (a.u.)
total exchange computation time: 2.7144708633 s
-154.0015820290
Anderson extrapolation: theta=0.0499920993 (0.0499920993)
-931.42058203
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.239 s
total exchange = -52.3269357573 (a.u.)
total exchange computation time: 2.7144610882 s
-154.0022154830
Anderson extrapolation: theta=1.8880722057 (1.8880722057)
-931.42058651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3267533541 (a.u.)
total exchange computation time: 2.7139408588 s
-154.0035588607
Anderson extrapolation: theta=0.2136150324 (0.2136150324)
-931.42059094
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3267048092 (a.u.)
total exchange computation time: 2.7150709629 s
-154.0038728818
Anderson extrapolation: theta=1.9006109364 (1.9006109364)
-931.42059175
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3266283065 (a.u.)
total exchange computation time: 2.7153699398 s
-154.0043120155
Anderson extrapolation: theta=0.2884492086 (0.2884492086)
-931.42059273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3266232012 (a.u.)
total exchange computation time: 2.7159190178 s
-154.0042814379
Anderson extrapolation: theta=1.3205819908 (1.3205819908)
-931.42059297
-122.757489 76.244339 -35.968013
566.890186 1066.724142 -418.198079
444.132697 1142.968481 -454.166092
1307.630544
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0580668605
ExchangeOperator: pair fraction: ispin=0: 0.1416765819
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3266297102 (a.u.)
total exchange computation time: 2.7156779766 s
677.97836381
-1082.34804471
90.00843214
-390.04312121
-174.68959347
77.52355325
551.60419304
0.00000000
-931.42059315
5.34970742 -31.35155793 -3.77671683
-0.00037885 -0.00015068 -0.00006429
-0.01862883 -0.00401005 0.02710345
-11.86702303 -0.92532488 -11.81135131
0.00004338 0.00022248 0.00008176
0.00281192 0.00144939 0.00412399
-37.86544320 2.41148802 3.18847085
0.00002172 0.00016081 -0.00018011
0.00832539 0.02442870 0.00532846
-10.02472003 -2.63821982 2.55103170
-0.00020030 0.00015630 0.00032540
0.03961829 -0.02176899 0.02074749
0.90439917 -0.40010679 8.93067470
0.00021074 -0.00028363 -0.00000212
0.01680995 0.01999174 0.03290958
-32.38718204 2.71928955 1.80587022
0.00010959 -0.00021335 0.00001112
0.00084577 -0.03903639 -0.00368181
14.15412261 13.87166975 -14.57752102
0.00044198 0.00027701 -0.00015336
-0.03979230 -0.00214765 0.00173022
-4.37252970 7.01016465 3.95828987
-0.00034986 -0.00007547 -0.00031725
0.00880966 0.01223358 0.00171498
5.94127133 16.65078396 -8.29023889
0.00020894 -0.00011984 0.00039877
-0.02063813 0.00728883 0.02715175
6.68534875 7.32208709 -20.97024762
-0.00021801 0.00014636 0.00017305
0.02658437 0.01369122 -0.01920467
23.31745261 17.08569771 -2.05640958
0.00000312 -0.00007437 0.00014650
0.03643303 -0.00013198 -0.02418614
1.43503497 12.93798576 -20.85149212
0.00003343 -0.00006777 0.00006662
0.00954264 0.01590146 0.00158211
10.44542362 -3.49589405 -1.71517254
-0.00010013 -0.00014555 -0.00029972
-0.01078275 -0.05033451 -0.00961208
-17.75661906 -2.71669139 4.77910469
0.00014960 -0.00023995 0.00006818
-0.00427560 -0.01494614 0.00258186
-15.21649189 0.06048889 18.49157650
0.00021237 -0.00018064 -0.00027848
-0.00517139 -0.01288249 0.00039798
2.46692746 2.83209956 -2.79552314
-0.00062004 0.00012954 0.00023646
-0.00771160 0.00266178 -0.00234329
23.48412560 -7.96995863 -9.77357599
0.00015283 -0.00016630 -0.00020170
0.03083526 0.03215303 0.03177451
1.62650455 -7.83581708 6.76902842
0.00031031 0.00013424 0.00004788
-0.00051129 -0.00581176 -0.00114455
-3.48705302 -0.89479420 -17.93810053
0.00043867 0.00041602 0.00025086
-0.00717970 -0.01889511 0.00015015
3.00279138 4.23569283 -10.48515569
-0.00046087 -0.00008937 0.00034722
0.00571354 -0.00387762 0.00583207
-2.63463512 16.86848703 13.98174721
0.00004629 0.00014182 0.00002936
0.00199958 0.00935072 0.04875783
-2.25324434 2.13990515 -7.00637826
0.00011568 0.00005769 0.00018018
-0.01298082 -0.02697027 -0.01931073
-6.81088709 -2.04293327 -4.55772941
-0.00009148 -0.00010408 -0.00016597
-0.03117256 -0.02343029 0.00839915
0.35940529 28.33879284 7.35502285
0.00001663 0.00007300 -0.00006780
-0.02285703 -0.01821537 -0.05717643
10.16029494 -9.16086125 -1.60104659
0.00007094 -0.00007742 -0.00031056
-0.01689549 -0.00369021 -0.00756482
-6.96514033 0.62362193 7.75811590
-0.00019324 0.00040891 0.00034772
-0.01423343 0.00647624 -0.01837128
18.87238560 11.61421351 6.43023041
0.00019818 -0.00012340 0.00021867
0.01463018 0.02856729 0.03799627
-3.40179663 -3.74981658 -23.23201504
-0.00012342 0.00014008 0.00008150
0.02699368 0.04358681 0.02275537
-13.64360514 8.35794695 8.51117864
0.00001599 0.00006078 0.00021409
0.00691898 0.00281813 -0.00045509
-12.28824164 7.32096345 -2.92973455
-0.00017558 -0.00015777 -0.00024546
0.01349810 0.02951404 0.03142892
-3.56883275 -16.47743383 20.55523350
-0.00042809 -0.00030772 0.00008343
0.02597219 0.02407264 0.02005607
-3.62826760 7.13751739 -7.83651110
-0.00037369 0.00026095 -0.00007544
0.01760743 -0.01164673 -0.03577622
-20.67148042 29.73456651 1.30911918
0.00020329 0.00014793 -0.00008846
0.02658685 -0.00749008 -0.00626643
9.88708161 3.11045433 7.39888947
0.00000653 -0.00005678 -0.00017683
-0.03319789 -0.01345936 -0.01755900
6.41537253 14.64286883 -12.86469691
0.00011897 0.00036881 0.00031007
-0.00090644 -0.00477603 0.01020180
14.16479637 3.63684813 -2.71658892
-0.00004680 -0.00034993 0.00014050
-0.05926220 0.00916763 0.00759013
-6.21365593 10.94734538 -0.31956751
0.00028454 -0.00023959 0.00004532
0.01633342 -0.02977154 -0.01809161
6.25829421 13.41375742 3.14713391
-0.00003394 0.00054474 0.00010973
-0.00869841 0.01631281 0.00768046
21.82411582 -12.14154565 -11.79353327
-0.00015865 0.00011909 -0.00000049
0.00605869 -0.03227372 0.02708005
16.85685983 -6.29883337 3.38911272
0.00028548 -0.00008284 -0.00009309
-0.01055275 -0.01958181 0.00101894
15.38220067 7.03158906 9.63607183
0.00006697 -0.00025038 -0.00029418
-0.01797145 0.01260171 0.00076495
3.00610660 -13.70835588 16.20802915
0.00000262 -0.00003445 -0.00046312
0.00543634 -0.01593993 -0.00462184
-3.59769055 -1.18510457 -10.87955608
-0.00001262 -0.00028364 -0.00011142
0.03075214 0.02287906 -0.02326032
15.33431121 -7.79259707 -9.53767186
-0.00007296 0.00018453 -0.00000804
0.00704671 -0.00269887 0.04956943
9.21308955 -3.75085815 6.37412467
0.00022749 -0.00045932 0.00009121
0.00301217 -0.01106815 0.00171762
-21.63872461 1.57627134 24.43430004
-0.00023746 0.00001087 -0.00003354
0.01693887 0.02276229 0.01593232
24.89244185 -1.74743209 -6.54058455
-0.00006445 0.00000249 -0.00015891
0.00452058 -0.00411793 -0.01150568
11.90801230 -11.91259549 -10.06622373
0.00030965 -0.00019683 -0.00020486
0.00669373 0.00667716 0.02109433
-4.70647177 -10.46149129 16.58493994
0.00010069 -0.00037162 0.00016963
-0.01796612 0.00143037 -0.02156858
8.22380147 2.54206731 -30.95830697
0.00006329 0.00027061 -0.00047204
0.02003223 -0.02327855 0.00006916
10.99712956 16.93098761 14.60134278
0.00015142 -0.00028763 -0.00015219
-0.01496767 0.02059600 0.00866410
30.63335466 7.23160924 -7.41523379
0.00012272 -0.00015601 0.00034753
0.00998995 0.01281288 -0.00218654
5.50440359 -30.15756101 -5.09604094
-0.00057696 -0.00031860 0.00021101
0.01027905 0.01581335 -0.02943316
4.09726834 -30.48057421 -2.72756883
0.00030606 0.00094689 0.00073230
0.00397639 -0.00954245 0.00212083
-12.65385788 -1.90187257 -13.22271275
0.00020366 -0.00028523 0.00051696
0.00976127 0.00448234 0.00383460
-11.74374817 0.82912191 -12.42369527
-0.00037493 -0.00066131 -0.00066694
-0.00212216 -0.01212481 -0.01367241
-37.87357805 4.27317864 2.71694283
0.00050757 0.00112068 0.00046632
-0.01286130 -0.03073702 0.00362465
-39.55437070 1.74685895 3.45191324
0.00044359 -0.00057592 0.00019697
0.00098910 0.00926938 -0.00576015
-10.11942041 -3.47839664 0.89553706
-0.00097429 0.00033313 0.00029864
-0.00168514 0.01124623 0.00739233
-8.55642898 -3.47093558 3.45246438
-0.00074735 0.00048466 -0.00079250
-0.01955342 0.01567335 -0.02172538
0.58429445 -0.65349784 7.23016360
0.00119516 0.00003565 -0.00052577
-0.01083163 -0.01433309 -0.04673767
1.83428144 1.19691347 8.86241874
-0.00040025 -0.00016194 -0.00017968
-0.00710234 -0.01071490 0.01238992
-32.73173164 0.84128181 1.96870732
-0.00078691 0.00044181 -0.00087222
0.01289753 0.02256398 0.00536752
-34.05418203 3.35016884 1.57400060
-0.00054371 0.00010185 -0.00072249
-0.01499386 0.00863062 0.00251572
12.63986631 12.99274970 -15.34166192
-0.00055142 -0.00018223 -0.00036864
0.03817935 0.01047645 0.01230538
15.57513935 12.73355679 -14.54273365
-0.00071892 0.00021979 -0.00010586
0.00355887 -0.01102131 -0.01823566
-3.99016210 8.79234161 4.33302764
-0.00042388 -0.00022018 -0.00000472
-0.00673358 -0.00640532 0.01165313
-3.73374462 6.91898050 2.25417962
-0.00087174 -0.00083033 0.00111944
-0.00076907 -0.01392264 -0.00591602
6.14255850 15.74912558 -9.84914147
0.00021913 -0.00030413 -0.00020538
0.00606748 -0.00651913 -0.02295506
7.62843824 17.03561500 -7.72327031
0.00018869 0.00014255 0.00026566
0.01200592 -0.00247281 -0.00093504
7.60769451 7.32968550 -22.66078726
-0.00015041 0.00011332 -0.00033238
-0.01219872 -0.00818803 0.02002592
7.79615853 8.51929396 -20.02735676
-0.00023770 0.00096895 -0.00091058
-0.00864591 -0.01395410 -0.00191919
21.59985684 17.53369899 -2.44531801
-0.00026707 -0.00079331 0.00051190
-0.01213307 0.00256030 0.00628827
24.33174996 17.79637066 -3.46816380
-0.00079806 -0.00007601 -0.00007901
-0.01355900 -0.00309429 0.01567216
1.06622669 11.18146196 -20.97681455
-0.00035989 0.00020207 0.00125852
-0.00809935 -0.01894527 -0.00523827
0.69036543 13.86227829 -22.23682448
0.00044338 0.00025384 0.00049169
-0.00005462 0.00011023 0.00041203
9.92952056 -5.35385116 -1.72699596
0.00108852 0.00114497 -0.00007236
0.01353674 0.03161447 -0.00012579
9.86784688 -2.88276514 -3.32063425
0.00112762 -0.00060403 -0.00045332
-0.00804190 0.00473483 -0.00307943
-18.55057943 -4.28073353 5.34965066
0.00082184 0.00026919 0.00047059
-0.00358629 0.00188760 0.01258658
-17.47343501 -3.24040296 3.07381330
-0.00092708 0.00001520 -0.00019539
0.00430937 0.00609061 -0.01590119
-15.38004945 0.47353405 16.73947516
0.00013263 0.00041185 0.00014226
0.00010016 0.00306640 -0.01278852
-13.82059580 1.03966068 19.03847579
-0.00020854 0.00027071 0.00054265
0.00944026 0.01073541 0.00772056
3.13750096 4.02938833 -3.97429304
0.00017054 0.00053632 0.00077044
-0.00211785 0.01305044 -0.00064034
3.39513264 1.36309954 -3.30747402
0.00081751 0.00091404 -0.00064651
0.00697019 -0.01285549 0.00296643
23.37103976 -9.63385292 -10.39757043
0.00038395 -0.00026118 -0.00027634
-0.01285096 -0.03463816 -0.01275961
25.00149654 -7.96723597 -8.68228425
0.00039851 0.00016578 -0.00017071
-0.01697259 0.00684758 -0.01437783
2.39029741 -9.19014911 5.76841019
-0.00018892 -0.00002208 0.00006826
-0.00393515 0.01375002 0.00818823
2.02654000 -8.17903076 8.53544792
-0.00095553 0.00049484 0.00124547
0.00296904 0.00621520 -0.01255533
-3.36852332 -2.74891297 -17.97656223
0.00040512 -0.00032066 -0.00038698
-0.00347974 0.01574641 0.00255361
-5.07541446 -0.53687670 -17.00584016
0.00021943 -0.00051164 0.00028925
0.01286722 0.00107950 -0.00036302
2.05511280 4.85816086 -11.88664363
0.00030114 0.00071696 -0.00083977
-0.00362669 0.00772611 -0.02135461
1.73496124 4.31619457 -9.20014708
-0.00006372 0.00049793 0.00063064
-0.00262831 -0.00630510 0.01336687
-1.05131523 16.06416512 13.52241733
-0.00055095 -0.00115101 0.00106998
0.01056181 -0.01149557 -0.01365664
-2.37571343 17.06752503 15.85535589
0.00011137 -0.00037154 0.00001184
-0.01473350 -0.00339282 -0.03509700
-2.03257827 1.27300421 -5.42684017
-0.00072153 0.00077174 0.00008740
0.00092237 0.00319044 0.00454409
-3.07460863 0.80094560 -8.15424620
-0.00090176 -0.00033829 -0.00033219
0.01447931 0.02658647 0.01042809
-8.40327330 -3.09049211 -4.40147964
-0.00086582 0.00002752 0.00089475
0.03100904 0.01722035 -0.00532005
-7.35466406 -0.42453606 -3.92266553
-0.00033349 0.00057574 0.00010346
0.00053365 0.00924475 -0.00222254
1.30101318 28.19565602 5.68055216
0.00058264 0.00001015 0.00000359
-0.01775667 0.00683483 0.03387198
-1.47930726 28.11907502 6.69184071
-0.00110575 -0.00050418 0.00025919
0.04323818 0.00979028 0.01588591
8.34407247 -9.39565891 -1.95982427
0.00046932 -0.00025982 0.00028575
0.00926767 0.00600246 -0.00497189
10.31317068 -9.72605053 0.13571790
0.00099292 0.00070725 0.00055481
0.00929273 0.00022749 0.00630861
-5.83938772 0.41968793 9.20313465
-0.00045267 -0.00036750 -0.00103689
-0.00891543 -0.01356617 0.00381000
-8.61680568 -0.19778780 7.99712481
0.00005085 -0.00008072 -0.00016611
0.02114099 0.00380478 0.01128225
19.50736800 11.32371428 8.21944067
-0.00000600 -0.00039115 0.00038595
-0.00567100 -0.00898628 -0.03276334
19.59982349 13.33743317 6.18184581
0.00046622 0.00029468 0.00062932
-0.00781499 -0.02373004 -0.00815441
-2.75776057 -2.02503988 -22.64549206
-0.00063215 0.00097316 -0.00064418
-0.01436898 -0.04373461 -0.00676324
-4.81201317 -3.23460930 -24.23830057
-0.00015246 0.00143292 -0.00024699
-0.02124145 0.00287935 -0.01888268
-12.46241849 9.11869185 9.69136941
-0.00003727 -0.00019191 0.00051134
-0.00174726 -0.00143447 0.00992650
-12.88189726 8.97397171 6.96367374
0.00038586 0.00055352 0.00056439
-0.00401671 -0.00215515 -0.01230250
-13.01121618 7.40577742 -4.63118115
-0.00095507 0.00044339 -0.00038873
-0.00412565 -0.00141052 -0.01112280
-11.88285414 9.12482454 -2.51458870
-0.00093631 -0.00063675 -0.00044593
-0.00289692 -0.02393831 -0.00640848
-5.01406931 -17.26548267 19.86069256
-0.00002956 0.00062006 0.00067732
-0.02649427 -0.01628244 -0.00982531
-2.23135813 -16.46584560 19.34176520
-0.00021564 0.00117903 -0.00026174
0.00327416 -0.00239877 -0.00286544
-3.35836955 5.45125012 -7.21199449
0.00064479 0.00030654 -0.00044840
-0.00007481 -0.01022689 0.00407947
-4.17643557 8.23281801 -6.55053594
-0.00140425 0.00011311 0.00135209
-0.00969752 0.02364098 0.02301672
-21.16682264 28.01163862 0.86633811
-0.00010044 0.00023053 0.00140105
0.00097441 0.00757679 0.00215264
-18.78369199 29.77839056 0.95387194
-0.00106248 0.00082675 -0.00084413
-0.02807635 -0.00227611 0.00972086
8.23914837 2.69101283 6.48162018
-0.00051271 -0.00023350 -0.00022033
0.03523871 0.00443378 0.00533432
9.45477376 4.65261048 8.23388642
0.00068792 0.00082336 0.00126011
-0.00403379 0.02099687 0.00797263
7.33173325 15.84469512 -13.86416552
-0.00014722 0.00008306 0.00232400
0.00688431 0.01292419 -0.01099712
7.30000142 13.10668704 -13.19950929
0.00199361 0.00000367 -0.00052033
0.00071237 -0.01211986 -0.00099139
12.94695617 5.07342777 -3.13036093
-0.00066167 -0.00020682 0.00058660
0.02533083 -0.02316374 0.00180148
13.03278369 2.85733882 -1.33734939
0.00049699 -0.00018742 -0.00038551
0.03479172 0.01574495 -0.01291189
-4.84331602 9.65383027 -0.63724583
0.00012646 0.00070419 -0.00114002
-0.02798206 0.01965082 0.00575894
-7.79335622 9.96233247 -0.44190559
0.00011539 -0.00068586 0.00013969
0.01753035 0.01083160 0.00902669
4.79531891 13.20779967 2.05141874
0.00102971 0.00027485 -0.00021888
0.00101750 -0.00547061 0.00047622
7.61558578 12.31470916 2.71443079
0.00103110 -0.00070141 -0.00011504
0.00553516 -0.00775227 -0.00217625
21.22036939 -13.11057394 -10.26429029
0.00019505 -0.00042645 -0.00036731
0.00157122 0.01455484 -0.02784459
22.75529306 -13.43373057 -12.83447978
0.00100933 0.00033417 -0.00053026
-0.01882674 0.01419094 0.00617808
17.57189264 -5.82253408 1.81825418
-0.00080870 0.00121575 -0.00101556
0.01262609 0.01684033 -0.02116018
16.37883676 -8.02983544 2.91854995
-0.00013216 0.00078211 0.00041452
-0.00238299 0.00781517 0.01445415
14.36585013 8.23093461 10.66940661
0.00045609 -0.00030854 -0.00109768
0.00707580 -0.01337964 -0.01134348
16.72466651 6.55349141 10.74662146
0.00022152 0.00002651 -0.00024292
0.00559150 -0.00103003 0.00841903
1.40397198 -13.37521078 15.44151301
-0.00093678 0.00035200 0.00183266
-0.00485289 0.00368595 0.00128219
3.39789125 -12.31878953 17.29893921
-0.00082289 0.00071348 -0.00034744
0.00183826 0.01120112 0.00419044
-3.48604445 -2.64712237 -9.82834671
-0.00018615 -0.00001673 0.00050636
-0.00272583 -0.02093879 0.01057089
-1.89742874 -1.20260342 -11.81416145
-0.00018492 -0.00076270 -0.00022777
-0.02833191 0.00949007 0.01596658
15.04423791 -7.96527479 -11.26459140
-0.00091342 -0.00082790 -0.00074935
-0.00919705 0.00169472 -0.05062460
17.03200878 -7.06769575 -9.23740407
0.00030525 0.00001653 0.00039595
-0.00745640 0.00217313 0.00142527
7.57527597 -3.22708477 5.62612918
0.00101832 -0.00104691 0.00019646
0.01229373 -0.00471771 -0.00454414
10.52132156 -4.15115319 5.04648710
0.00039389 -0.00067271 -0.00003870
-0.03278562 0.01669941 0.01457447
-20.94766996 0.92738216 22.92732714
0.00055290 -0.00044140 0.00010397
0.00451667 -0.00533754 -0.01911944
-23.20713569 0.77616172 24.79492470
-0.00018546 0.00029696 -0.00082059
-0.01776068 -0.01088888 0.00731502
25.89487032 -2.51933113 -7.90891038
0.00093797 -0.00033797 0.00032285
-0.00637759 -0.00103782 0.01238369
23.63596720 -0.72743530 -7.37541096
-0.00026358 -0.00003845 -0.00029217
-0.00013275 0.00099781 -0.00103602
10.95937972 -12.73268818 -8.66069135
-0.00097821 0.00090250 0.00039274
0.00958022 0.01098143 -0.01384847
13.02124734 -10.52100535 -9.43622035
0.00087618 -0.00034222 0.00026686
-0.01703362 -0.02024311 -0.00645816
-5.59061877 -10.41712712 18.18516618
0.00066903 -0.00017764 -0.00021962
-0.00264426 0.00210640 0.00471170
-5.93545301 -9.92481185 15.23092230
0.00064724 0.00032552 -0.00124755
0.02238012 -0.00543455 0.02381040
9.21035354 1.12928768 -31.76442475
-0.00036203 -0.00037292 0.00032194
-0.01376451 0.01019049 0.01293700
6.85842398 2.76661597 -32.11224052
0.00060578 0.00025207 -0.00117226
-0.01541806 0.00419810 -0.00543850
11.39937694 17.69736762 13.01863094
0.00009053 -0.00032936 -0.00085333
0.00068591 0.01726573 -0.01013210
11.92657832 15.43346640 14.42650933
0.00031001 -0.00006214 -0.00044354
0.01823236 -0.02719868 0.00431660
31.06509550 5.49815149 -7.86186480
0.00028428 0.00035664 -0.00014798
-0.00362736 -0.00978030 -0.00628582
28.83833704 7.36129902 -7.59182025
-0.00143161 0.00015254 -0.00064288
-0.01255577 0.00337515 -0.00291149
-8.37858269 4.81934756 5.66150043
0.00012482 -0.00003909 0.00004001
0.00712893 0.00276419 0.00025486
-10.73109165 10.12725002 3.35192241
-0.00001001 -0.00005363 -0.00006856
-0.00812499 -0.00246447 0.00515711
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08298978
0.33760337
449.83955946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3194351466 (a.u.)
total exchange computation time: 2.7572700977 s
-153.9681659946
-931.42009946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3194405598 (a.u.)
total exchange computation time: 2.7540590763 s
-153.9685891855
Anderson extrapolation: theta=1.3501221164 (1.3501221164)
-931.42031287
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3193637200 (a.u.)
total exchange computation time: 2.7551460266 s
-153.9697002372
Anderson extrapolation: theta=0.0510712671 (0.0510712671)
-931.42043883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3192891969 (a.u.)
total exchange computation time: 2.7557430267 s
-153.9702586370
Anderson extrapolation: theta=1.9117823583 (1.9117823583)
-931.42044329
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3191196517 (a.u.)
total exchange computation time: 2.7539188862 s
-153.9714732363
Anderson extrapolation: theta=0.2135834735 (0.2135834735)
-931.42044781
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3190724547 (a.u.)
total exchange computation time: 2.7555308342 s
-153.9717617331
Anderson extrapolation: theta=1.8842532623 (1.8842532623)
-931.42044864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3189975567 (a.u.)
total exchange computation time: 2.7541849613 s
-153.9721570532
Anderson extrapolation: theta=0.2845528337 (0.2845528337)
-931.42044966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3189914629 (a.u.)
total exchange computation time: 2.7549750805 s
-153.9721234781
Anderson extrapolation: theta=1.3235392316 (1.3235392316)
-931.42044991
-122.779430 76.276964 -36.015631
566.893370 1066.765860 -418.190145
444.113940 1143.042824 -454.205776
1307.702939
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3189951852 (a.u.)
total exchange computation time: 2.7568840981 s
677.86012401
-1082.09693086
90.01875772
-390.21385355
-174.66955223
77.38561180
551.60419304
0.00000000
-931.42045010
5.34395279 -31.35383361 -3.77757667
-0.00038906 -0.00015266 -0.00004940
-0.02105526 -0.00367857 0.03082919
-11.86636152 -0.92198202 -11.81010894
0.00004474 0.00022221 0.00008419
0.00249818 -0.00253030 0.00529991
-37.86508531 2.41399441 3.18578970
0.00002640 0.00017414 -0.00017753
0.00988323 0.02740510 0.00473254
-10.02757169 -2.63595925 2.55599266
-0.00018123 0.00014572 0.00033512
0.03453803 -0.01937827 0.01706687
0.90762512 -0.40428409 8.93076981
0.00021896 -0.00027376 0.00001366
0.01516284 0.01837790 0.02847892
-32.38553499 2.71593868 1.80602281
0.00010826 -0.00023202 0.00000886
-0.00599324 -0.03355724 -0.00511040
14.16059883 13.87581669 -14.57981479
0.00041905 0.00027623 -0.00015301
-0.04937279 -0.00091914 -0.00035010
-4.37774364 7.00907972 3.95353768
-0.00034648 -0.00006925 -0.00031342
0.00432882 0.01195276 0.01320342
5.94432586 16.64901454 -8.28415261
0.00019842 -0.00011667 0.00041163
-0.02026354 0.00503126 0.02286284
6.68218121 7.32433531 -20.96772598
-0.00020399 0.00015347 0.00016255
0.02790823 0.01395540 -0.02161500
23.31763996 17.08458168 -2.05430538
0.00002146 -0.00007462 0.00013440
0.03488838 -0.00086884 -0.02286415
1.43557327 12.93703057 -20.85048665
0.00003886 -0.00005938 0.00006808
0.01156223 0.01673238 0.00408665
10.44388010 -3.49827152 -1.71970546
-0.00010470 -0.00016953 -0.00030389
-0.00699339 -0.04288440 -0.00660301
-17.75439155 -2.72034836 4.78013736
0.00014786 -0.00024670 0.00006909
-0.00247587 -0.01128327 0.00093549
-15.21332626 0.05772953 18.48740081
0.00021006 -0.00018710 -0.00027761
-0.00382093 -0.01223538 0.00297617
2.45759707 2.83405293 -2.79198530
-0.00062313 0.00013059 0.00023452
-0.00431043 0.00142891 -0.00520119
23.48653699 -7.97232916 -9.77647891
0.00016880 -0.00015007 -0.00018534
0.03128263 0.03099075 0.03183572
1.63115720 -7.83382590 6.76974221
0.00031000 0.00013142 0.00004873
-0.00067653 -0.00514899 0.00444976
-3.48050068 -0.88862682 -17.93433712
0.00043487 0.00040497 0.00025098
-0.00758468 -0.02406586 0.00032878
2.99590035 4.23433737 -10.47992489
-0.00045843 -0.00009081 0.00034879
0.00377093 -0.00171531 0.00026455
-2.63393306 16.87065038 13.98237568
0.00004715 0.00014645 0.00005448
0.00134281 0.00866399 0.04892601
-2.25155926 2.14066647 -7.00375007
0.00010832 0.00004367 0.00016861
-0.01562317 -0.02752871 -0.02569468
-6.81237958 -2.04458489 -4.56018654
-0.00010869 -0.00011512 -0.00016089
-0.03575690 -0.01949798 0.01136594
0.35956654 28.33981758 7.35378535
0.00000418 0.00006352 -0.00009736
-0.02554687 -0.01866561 -0.05778281
10.16129384 -9.16203672 -1.60573420
0.00006327 -0.00007956 -0.00031310
-0.01292069 -0.00463022 -0.00229199
-6.96809377 0.62978054 7.76326081
-0.00020168 0.00041252 0.00033654
-0.01859840 0.00756061 -0.02509584
18.87541475 11.61247273 6.43365702
0.00020591 -0.00010824 0.00023817
0.01542759 0.03036954 0.03782903
-3.40354385 -3.74754719 -23.23070473
-0.00011064 0.00016349 0.00009248
0.02271827 0.04743954 0.01994660
-13.64333862 8.35886953 8.51438819
0.00001970 0.00006234 0.00021390
0.00752735 0.00324598 -0.00028891
-12.29082331 7.31871076 -2.93329516
-0.00016928 -0.00014345 -0.00023016
0.01102499 0.02616712 0.02804749
-3.57515395 -16.48195670 20.55656225
-0.00041239 -0.00029440 0.00009410
0.03509230 0.02770349 0.02146674
-3.63380500 7.14138668 -7.83778066
-0.00036555 0.00025681 -0.00009165
0.01403565 -0.00445000 -0.02728627
-20.66832853 29.73675650 1.30776806
0.00021549 0.00014477 -0.00009124
0.02086099 -0.00478747 -0.00454837
9.88705152 3.10955069 7.39616931
-0.00001133 -0.00006175 -0.00018482
-0.03624282 -0.00586595 -0.01351497
6.41715354 14.64838253 -12.86000657
0.00011861 0.00036185 0.00031629
-0.00047837 -0.02229488 0.01401952
14.16386572 3.63163448 -2.71445215
-0.00007711 -0.00034453 0.00014371
-0.05860304 0.01183557 0.00489664
-6.20932479 10.94363673 -0.31895744
0.00029180 -0.00025455 0.00003606
0.01188091 -0.02842284 -0.01792942
6.25775156 13.42199151 3.14880953
-0.00003491 0.00055109 0.00011345
0.00494240 0.00836095 0.00677160
21.82175937 -12.13988385 -11.79343612
-0.00015485 0.00010200 0.00001262
0.00872085 -0.03416111 0.02389079
16.86110134 -6.30015156 3.38772033
0.00028105 -0.00009086 -0.00009355
-0.00668285 -0.01158159 -0.00281150
15.38313596 7.02788202 9.63166204
0.00005852 -0.00024464 -0.00029435
-0.01491600 0.00972126 -0.00143038
3.00616681 -13.70893415 16.20106444
0.00000543 -0.00004145 -0.00046478
0.00549981 -0.01127068 -0.00182332
-3.59776125 -1.18927089 -10.88131705
0.00000296 -0.00027223 -0.00012301
0.02983817 0.02148614 -0.02180458
15.33324405 -7.78983946 -9.53760118
-0.00006945 0.00018295 0.00001540
0.00660420 -0.00345967 0.04155978
9.21651352 -3.75779064 6.37549949
0.00023053 -0.00046546 0.00009247
0.00882184 -0.01280664 0.00316106
-21.64222112 1.57652213 24.43385840
-0.00022787 0.00002251 -0.00002625
0.02035924 0.02251603 0.01241083
24.89149259 -1.74741063 -6.54301251
-0.00006203 0.00000031 -0.00016506
0.00488651 -0.00436341 -0.01242809
11.91268287 -11.91552217 -10.06921532
0.00031284 -0.00019329 -0.00019304
0.00571787 0.00708310 0.02489061
-4.70503074 -10.46706004 16.58740124
0.00009172 -0.00037071 0.00015668
-0.01691798 0.00209026 -0.02882104
8.22482806 2.54603666 -30.96538734
0.00007333 0.00025870 -0.00047200
0.01900988 -0.02301842 0.00008047
10.99934306 16.92675265 14.59909332
0.00014398 -0.00027644 -0.00014891
-0.01394713 0.02289897 0.00410158
30.63523400 7.22931853 -7.41002923
0.00012431 -0.00014843 0.00034609
-0.00380801 0.01666312 -0.00340788
5.49606421 -30.16185537 -5.09377769
-0.00053423 -0.00025098 0.00008696
0.01063512 0.01728475 -0.03129081
4.10198105 -30.46666330 -2.71651939
0.00032641 0.00090406 0.00073709
0.00598405 -0.01142014 0.00022619
-12.65050393 -1.90601373 -13.21484082
0.00024278 -0.00026789 0.00053186
0.00939233 0.00400969 0.00345811
-11.74943721 0.81883077 -12.43411839
-0.00038270 -0.00070195 -0.00072431
-0.00167918 -0.00776895 -0.01440855
-37.86635854 4.28904691 2.72404864
0.00045322 0.00098817 0.00048218
-0.01374586 -0.03412635 0.00414237
-39.54768651 1.73850420 3.45469120
0.00044630 -0.00053686 0.00017336
0.00033747 0.00984859 -0.00579523
-10.13408639 -3.47305513 0.90024325
-0.00098094 0.00037912 0.00032848
-0.00157008 0.01126773 0.00721474
-8.56823846 -3.46318534 3.43991119
-0.00081700 0.00054331 -0.00087420
-0.01453662 0.01303343 -0.01826781
0.60188995 -0.65340235 7.22084482
0.00115220 -0.00002303 -0.00070912
-0.01019815 -0.01438987 -0.04301154
1.82806005 1.19415600 8.86010325
-0.00042725 -0.00020233 -0.00012747
-0.00611239 -0.00905746 0.01316675
-32.74314003 0.84860033 1.95578853
-0.00073395 0.00052759 -0.00084851
0.01302489 0.01942877 0.00623526
-34.06279717 3.35196099 1.56324027
-0.00059143 0.00013311 -0.00071025
-0.00836371 0.00667324 0.00347663
12.63276502 12.99033730 -15.34681447
-0.00038702 -0.00013398 -0.00031420
0.04229201 0.01314144 0.01434401
15.56446467 12.73651587 -14.54488030
-0.00069307 0.00016640 -0.00017997
0.00909082 -0.01510979 -0.01804545
-3.99672658 8.78884270 4.33331397
-0.00045077 -0.00024509 0.00004202
-0.00643040 -0.00579237 0.01122701
-3.74684434 6.90609886 2.27078987
-0.00086641 -0.00088733 0.00107274
0.00337869 -0.01397673 -0.01694348
6.14603142 15.74436382 -9.85292559
0.00024310 -0.00032581 -0.00029028
0.00566519 -0.00409337 -0.01860597
7.63163648 17.03767753 -7.71931406
0.00023742 0.00013193 0.00026166
0.01184806 -0.00272519 -0.00102500
7.60506459 7.33113439 -22.66515936
-0.00020228 0.00007907 -0.00024715
-0.01319087 -0.00857543 0.02169720
7.79232807 8.53340056 -20.04107434
-0.00027301 0.00091147 -0.00091681
-0.00863996 -0.01418223 -0.00112769
21.59547898 17.52187778 -2.43744689
-0.00031619 -0.00078268 0.00053789
-0.01191116 0.00264228 0.00643474
24.31936359 17.79513562 -3.46886871
-0.00085070 -0.00008697 -0.00001797
-0.01220711 -0.00226771 0.01420596
1.06058017 11.18391251 -20.95809726
-0.00039454 0.00012222 0.00123578
-0.00886103 -0.02014371 -0.00589462
0.69701441 13.86608933 -22.22943652
0.00044035 0.00025527 0.00048940
-0.00142822 0.00058951 -0.00153073
9.94626313 -5.33570781 -1.72808518
0.00113786 0.00125678 -0.00007340
0.01061553 0.02311445 -0.00038511
9.88451474 -2.89168047 -3.32752842
0.00109257 -0.00058245 -0.00047145
-0.00911345 0.00582732 -0.00579510
-18.53836171 -4.27663780 5.35709517
0.00080351 0.00026959 0.00052431
-0.00538919 -0.00169445 0.01370911
-17.48720909 -3.23998835 3.07039527
-0.00090978 0.00004003 -0.00025921
0.00415681 0.00606383 -0.01533980
-15.37805700 0.47980573 16.74121716
0.00013297 0.00042553 0.00008613
0.00006669 0.00363082 -0.01468515
-13.82343458 1.04405035 19.04685215
-0.00017306 0.00031251 0.00057272
0.00792518 0.00972259 0.00699920
3.13999423 4.03783298 -3.96275612
0.00015938 0.00058904 0.00077059
-0.00334567 0.01275697 0.00071380
3.40760883 1.37641619 -3.31708070
0.00084198 0.00086418 -0.00063147
0.00500959 -0.01154880 0.00439447
23.37640519 -9.63883199 -10.40210651
0.00033168 -0.00040023 -0.00032673
-0.01273241 -0.03342821 -0.01190917
25.00695415 -7.96453939 -8.68528555
0.00032748 0.00019342 -0.00023072
-0.01779957 0.00668217 -0.01499744
2.38734304 -9.19005895 5.76968493
-0.00020357 0.00003229 0.00010232
-0.00323415 0.01286369 0.00848530
2.01229801 -8.17141770 8.55374529
-0.00094477 0.00052081 0.00118225
0.00229792 0.00649718 -0.01839468
-3.36255318 -2.75324029 -17.98228872
0.00039091 -0.00024689 -0.00037629
-0.00347463 0.02036297 0.00267849
-5.07172877 -0.54451828 -17.00151259
0.00027229 -0.00050625 0.00028719
0.01301030 0.00156078 -0.00064539
2.05951881 4.86915207 -11.89989451
0.00029167 0.00074332 -0.00091371
-0.00101066 0.00517567 -0.01484003
1.73392487 4.32347025 -9.19027787
-0.00007585 0.00047299 0.00068315
-0.00330799 -0.00589952 0.01233562
-1.05925589 16.04654766 13.53804856
-0.00050544 -0.00119855 0.00101143
0.01171831 -0.01177249 -0.01500380
-2.37449441 17.06184792 15.85445800
0.00005026 -0.00038389 -0.00012904
-0.01517668 -0.00265231 -0.03386379
-2.04337301 1.28467802 -5.42538987
-0.00071682 0.00078033 0.00011313
0.00138741 0.00101436 0.00804720
-3.08769131 0.79668589 -8.15890946
-0.00083781 -0.00022418 -0.00028441
0.01682317 0.02927505 0.01295715
-8.41531037 -3.08955163 -4.38822139
-0.00073326 0.00010033 0.00087173
0.03387943 0.01842088 -0.00594827
-7.35965013 -0.41561663 -3.92118178
-0.00032731 0.00060340 0.00008992
0.00249567 0.00429540 -0.00440373
1.30920862 28.19601778 5.68164398
0.00050718 0.00003796 0.00014268
-0.01918002 0.00677415 0.03421395
-1.49456858 28.11181239 6.69621535
-0.00092005 -0.00046282 0.00032472
0.04766439 0.01045569 0.01619145
8.35139624 -9.39937223 -1.95569043
0.00050113 -0.00023603 0.00026495
0.00630502 0.00564222 -0.00520776
10.32834921 -9.71543477 0.14423342
0.00102906 0.00071061 0.00057033
0.00840016 0.00141465 0.00128856
-5.84645100 0.41375979 9.18769802
-0.00047900 -0.00042437 -0.00100787
-0.00397298 -0.01427628 0.01039663
-8.61539505 -0.19888202 7.99497885
0.00013619 -0.00006548 -0.00011977
0.02063007 0.00365674 0.01140381
19.50710420 11.31757160 8.22422589
-0.00002924 -0.00042744 0.00025147
-0.00570587 -0.00877750 -0.03306580
19.60657736 13.34112614 6.19103572
0.00043262 0.00019342 0.00059635
-0.00863569 -0.02583442 -0.00798216
-2.76768308 -2.01178268 -22.65536208
-0.00068872 0.00079156 -0.00067038
-0.01332395 -0.04516035 -0.00605872
-4.81495091 -3.21302729 -24.24258406
-0.00023291 0.00143925 -0.00032023
-0.01814322 0.00021866 -0.01696653
-12.46303105 9.11576921 9.69934367
-0.00004490 -0.00019819 0.00055166
-0.00198977 -0.00164083 0.00981253
-12.87623240 8.98220846 6.97176261
0.00036894 0.00054400 0.00051405
-0.00426634 -0.00250408 -0.01233766
-13.02566868 7.41238511 -4.63735294
-0.00096945 0.00043545 -0.00042940
-0.00291386 -0.00247921 -0.00878523
-11.89698755 9.11453980 -2.52147397
-0.00094494 -0.00072613 -0.00046899
-0.00132553 -0.01981605 -0.00488066
-5.01532457 -17.25668066 19.87055130
-0.00014938 0.00054670 0.00062957
-0.03215757 -0.01962936 -0.01355141
-2.23449237 -16.44823365 19.33775133
-0.00020866 0.00116831 -0.00026918
0.00014322 -0.00285133 -0.00077954
-3.34869994 5.45553488 -7.21859551
0.00064420 0.00026412 -0.00043169
-0.00021341 -0.01053741 0.00410308
-4.19779644 8.23523915 -6.52954925
-0.00143621 0.00019543 0.00142832
-0.00594810 0.01665571 0.01429550
-21.16829933 28.01532872 0.88741990
-0.00009699 0.00025654 0.00140802
0.00071425 0.00515704 0.00125924
-18.80048952 29.79072213 0.94150781
-0.00116580 0.00081625 -0.00080620
-0.02250108 -0.00286799 0.00884825
8.23253751 2.68764613 6.47847863
-0.00036539 -0.00021224 -0.00019588
0.03687518 0.00597560 0.00663494
9.46496897 4.66560431 8.25303233
0.00067424 0.00089051 0.00128136
-0.00266423 0.01187387 0.00243306
7.32973587 15.84633712 -13.82964249
-0.00010813 0.00015258 0.00226630
0.01225243 0.02110166 -0.01724880
7.32992742 13.10637074 -13.20734463
0.00198421 -0.00002686 -0.00051938
-0.00531672 -0.00282749 0.00145532
12.93780730 5.06961568 -3.12150666
-0.00055582 -0.00030318 0.00059351
0.02648428 -0.02400748 0.00157665
13.04130467 2.85501004 -1.34352770
0.00063485 -0.00012686 -0.00043278
0.03269057 0.01389971 -0.01022877
-4.84227659 9.66499532 -0.65416970
0.00001730 0.00077897 -0.00111627
-0.02545410 0.01695223 0.00586805
-7.79108822 9.95237641 -0.43953365
0.00019096 -0.00063910 0.00017649
0.01946116 0.01206098 0.00898752
4.81079571 13.21175485 2.04815017
0.00102613 0.00025175 -0.00022186
-0.00277052 -0.00583842 -0.00193422
7.63122184 12.30395043 2.71263856
0.00103424 -0.00071632 -0.00011682
-0.00399821 0.00045683 0.00130263
21.22334332 -13.11652463 -10.27065314
0.00020087 -0.00036780 -0.00047883
0.00127458 0.01415185 -0.02674519
22.76985615 -13.42828314 -12.84224433
0.00092757 0.00039658 -0.00050062
-0.02119481 0.01635951 0.00832996
17.56014911 -5.80378180 1.80237235
-0.00076303 0.00127917 -0.00109015
0.00972631 0.01420199 -0.01535370
16.37678129 -8.01786426 2.92521070
-0.00014359 0.00080329 0.00046945
-0.00320897 0.00254891 0.01243564
14.37290832 8.22589649 10.65259376
0.00048031 -0.00035788 -0.00113851
0.00477800 -0.01077300 -0.00864079
16.72816072 6.55385749 10.74323563
0.00024297 0.00002276 -0.00020931
0.00490747 -0.00080542 0.00803594
1.38977159 -13.36981788 15.46904219
-0.00095824 0.00036450 0.00183540
-0.00565091 0.00243308 0.00006171
3.38560427 -12.30774410 17.29385609
-0.00081378 0.00075245 -0.00033351
0.00262043 0.00787272 0.00262782
-3.48892018 -2.64801490 -9.82042740
-0.00019688 -0.00009945 0.00054711
-0.00252714 -0.01955465 0.00937658
-1.90107074 -1.21375319 -11.81708879
-0.00029921 -0.00072373 -0.00016294
-0.02761072 0.00958915 0.01577118
15.03025483 -7.97764134 -11.27738288
-0.00094609 -0.00081841 -0.00093711
-0.00679583 0.00294915 -0.04128735
17.03635902 -7.06738119 -9.23142116
0.00027129 0.00002454 0.00039879
-0.00916728 0.00174596 -0.00003421
7.59092755 -3.24293299 5.62893677
0.00105889 -0.00106285 0.00017336
0.00756203 -0.00308707 -0.00676111
10.52622520 -4.16073214 5.04635327
0.00025847 -0.00060384 0.00002281
-0.03350243 0.01701461 0.01553177
-20.93923805 0.92059759 22.92830081
0.00056873 -0.00046036 0.00003205
0.00323306 -0.00394555 -0.01608797
-23.21046177 0.78028239 24.78283996
-0.00026198 0.00025047 -0.00078967
-0.01969629 -0.01186630 0.00782213
25.90874449 -2.52443249 -7.90368814
0.00090831 -0.00033978 0.00037535
-0.00814382 0.00015139 0.01331612
23.63200942 -0.72798152 -7.37982525
-0.00026138 -0.00003646 -0.00029619
0.00121116 -0.00002427 -0.00093157
10.94500012 -12.71881413 -8.65522467
-0.00093493 0.00094869 0.00033046
0.01160433 0.01162960 -0.01663755
13.03386804 -10.52675891 -9.43241532
0.00080417 -0.00042712 0.00023872
-0.01821340 -0.02131548 -0.00731952
-5.58066435 -10.41972717 18.18201625
0.00065198 -0.00016773 -0.00019366
-0.00569908 0.00274235 0.00799782
-5.92505864 -9.92009553 15.21293871
0.00074204 0.00030090 -0.00114245
0.02402409 -0.00661663 0.02763596
9.20450125 1.12400616 -31.75919919
-0.00041659 -0.00033164 0.00037370
-0.01294125 0.01001524 0.01239805
6.86703822 2.77052560 -32.12999103
0.00054345 0.00026929 -0.00119331
-0.01509256 0.00423474 -0.00486893
11.40075591 17.69295633 13.00552048
0.00009094 -0.00026279 -0.00088547
-0.00048542 0.01531992 -0.00559898
11.93178710 15.43170089 14.41998853
0.00038489 -0.00017374 -0.00042555
0.01842563 -0.02743195 0.00448896
31.06924856 5.50320139 -7.86427713
0.00027011 0.00031245 -0.00017450
-0.00330889 -0.01185232 -0.00669476
28.81647811 7.36369049 -7.60155270
-0.00145613 0.00016364 -0.00065197
0.00055297 0.00205975 -0.00153514
-8.37669120 4.81876859 5.66210128
0.00012736 -0.00003814 0.00004009
0.00702403 0.00256633 0.00019583
-10.73125592 10.12644136 3.35090301
-0.00001188 -0.00005416 -0.00006735
-0.00803972 -0.00210890 0.00528324
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08304676
0.33740334
449.57303085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3127319589 (a.u.)
total exchange computation time: 2.7541389465 s
-153.9439775254
-931.41849781
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3128602361 (a.u.)
total exchange computation time: 2.7539889812 s
-153.9434687006
Anderson extrapolation: theta=1.3523459962 (1.3523459962)
-931.41870719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3129589995 (a.u.)
total exchange computation time: 2.7576811314 s
-153.9432799438
Anderson extrapolation: theta=0.0510662359 (0.0510662359)
-931.41883117
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3129008114 (a.u.)
total exchange computation time: 2.7542860508 s
-153.9437382594
Anderson extrapolation: theta=1.9080859052 (1.9080859052)
-931.41883559
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3127657959 (a.u.)
total exchange computation time: 2.7551589012 s
-153.9447442781
Anderson extrapolation: theta=0.2107256881 (0.2107256881)
-931.41884012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3127282149 (a.u.)
total exchange computation time: 2.7570807934 s
-153.9449765328
Anderson extrapolation: theta=1.8810910767 (1.8810910767)
-931.41884097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3126711305 (a.u.)
total exchange computation time: 2.7555742264 s
-153.9452691181
Anderson extrapolation: theta=0.2837734850 (0.2837734850)
-931.41884203
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3126692908 (a.u.)
total exchange computation time: 2.7544360161 s
-153.9452122160
Anderson extrapolation: theta=1.3324732785 (1.3324732785)
-931.41884230
-122.805991 76.307803 -36.064738
566.896089 1066.807563 -418.184849
444.090098 1143.115365 -454.249587
1307.773467
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3126775039 (a.u.)
total exchange computation time: 2.7551350594 s
677.76620247
-1081.89529708
90.02654872
-390.35032566
-174.65329346
77.27491534
551.60419304
0.00000000
-931.41884252
5.33803573 -31.35613767 -3.77819868
-0.00040039 -0.00015428 -0.00003289
-0.02301408 -0.00263830 0.03335595
-11.86568074 -0.91865868 -11.80882568
0.00004596 0.00021988 0.00008725
0.00224667 -0.00652986 0.00661504
-37.86465118 2.41671222 3.18314506
0.00003187 0.00018881 -0.00017521
0.01137130 0.02965381 0.00428976
-10.03015691 -2.63384819 2.56108528
-0.00016501 0.00013654 0.00034287
0.02853693 -0.01632953 0.01305650
0.91096805 -0.40831962 8.93108462
0.00022621 -0.00026490 0.00002670
0.01303345 0.01608494 0.02221699
-32.38393418 2.71232892 1.80613597
0.00010347 -0.00024770 0.00000585
-0.01262982 -0.02739393 -0.00659891
14.16669416 13.87995653 -14.58211126
0.00039159 0.00027614 -0.00015358
-0.05742631 0.00057109 -0.00186441
-4.38292418 7.00808700 3.94888735
-0.00034542 -0.00006318 -0.00030362
-0.00021101 0.01166366 0.02489283
5.94722406 16.64728393 -8.27788995
0.00018820 -0.00011470 0.00042222
-0.01950271 0.00263239 0.01832575
6.67922897 7.32669120 -20.96537110
-0.00018943 0.00016066 0.00015092
0.02873132 0.01399482 -0.02361462
23.31809646 17.08345896 -2.05237758
0.00003880 -0.00007529 0.00012308
0.03254654 -0.00171102 -0.02116561
1.43620076 12.93620446 -20.84944966
0.00004527 -0.00005080 0.00007080
0.01337145 0.01663477 0.00648064
10.44228262 -3.50097983 -1.72428932
-0.00010729 -0.00018922 -0.00030661
-0.00306907 -0.03368071 -0.00396750
-17.75218314 -2.72409238 4.78117725
0.00014706 -0.00025159 0.00006902
-0.00063759 -0.00773487 -0.00117544
-15.21019011 0.05487577 18.48324807
0.00020854 -0.00019313 -0.00027550
-0.00210224 -0.01118558 0.00524354
2.44823343 2.83601733 -2.78848759
-0.00062438 0.00013098 0.00023105
-0.00054422 0.00006533 -0.00827772
23.48918971 -7.97446061 -9.77913623
0.00018481 -0.00013476 -0.00016920
0.03097283 0.02852609 0.03092588
1.63580464 -7.83187444 6.77049033
0.00030952 0.00012906 0.00005238
-0.00122155 -0.00403976 0.00973034
-3.47400686 -0.88264509 -17.93057117
0.00043091 0.00039144 0.00025116
-0.00784081 -0.02853462 0.00037829
2.98903841 4.23296867 -10.47469204
-0.00045705 -0.00009110 0.00034750
0.00162080 0.00057941 -0.00525741
-2.63322063 16.87288057 13.98338160
0.00004779 0.00015063 0.00007937
0.00115834 0.00756778 0.04785803
-2.24999471 2.14121540 -7.00132010
0.00009972 0.00002951 0.00015393
-0.01782097 -0.02757197 -0.03136646
-6.81414793 -2.04638693 -4.56255599
-0.00012803 -0.00012403 -0.00015430
-0.03942394 -0.01516111 0.01423419
0.35953070 28.34069831 7.35210208
-0.00000951 0.00005386 -0.00012694
-0.02768416 -0.01889090 -0.05723100
10.16219306 -9.16324791 -1.61043950
0.00005775 -0.00008213 -0.00031292
-0.00853704 -0.00538420 0.00298006
-6.97119069 0.63599748 7.76821211
-0.00021228 0.00041673 0.00032193
-0.02262097 0.00882092 -0.03170706
18.87856292 11.61096623 6.43737547
0.00021391 -0.00009232 0.00025743
0.01569515 0.03155469 0.03706757
-3.40511582 -3.74491181 -23.22924054
-0.00010027 0.00018868 0.00010184
0.01760496 0.05051934 0.01644661
-13.64301403 8.35981715 8.51759552
0.00002376 0.00006413 0.00021377
0.00825006 0.00373362 -0.00021622
-12.29331992 7.31665993 -2.93663938
-0.00016430 -0.00013105 -0.00021671
0.00831653 0.02207357 0.02424812
-3.58120443 -16.48626585 20.55805660
-0.00039228 -0.00027938 0.00010536
0.04309477 0.03069581 0.02229015
-3.63923412 7.14522165 -7.83926072
-0.00035927 0.00025623 -0.00010344
0.01037834 0.00220525 -0.01853408
-20.66501572 29.73890956 1.30638185
0.00022451 0.00014300 -0.00009308
0.01419893 -0.00208000 -0.00257769
9.88674183 3.10860180 7.39334488
-0.00003051 -0.00006283 -0.00019063
-0.03835603 0.00167109 -0.00909497
6.41893087 14.65372423 -12.85520808
0.00011845 0.00034614 0.00032439
-0.00015579 -0.03876680 0.01745862
14.16248296 3.62651214 -2.71227762
-0.00010679 -0.00033782 0.00014541
-0.05680878 0.01428101 0.00172498
-6.20490200 10.93970880 -0.31848568
0.00029674 -0.00026860 0.00002695
0.00732323 -0.02621168 -0.01751822
6.25724703 13.43029010 3.15053739
-0.00002912 0.00055353 0.00011678
0.01753762 0.00111837 0.00619601
21.81947020 -12.13848558 -11.79315466
-0.00014970 0.00008417 0.00002402
0.01131946 -0.03517982 0.02042451
16.86529129 -6.30155910 3.38630625
0.00027868 -0.00009457 -0.00009608
-0.00253349 -0.00284761 -0.00703378
15.38395618 7.02424998 9.62724121
0.00005178 -0.00024051 -0.00029567
-0.01127088 0.00633767 -0.00369864
3.00626944 -13.70959937 16.19408568
0.00000812 -0.00004598 -0.00046503
0.00496726 -0.00634284 0.00087124
-3.59760176 -1.19327144 -10.88324623
0.00001791 -0.00026169 -0.00013364
0.02829101 0.01949808 -0.01955765
15.33222784 -7.78710854 -9.53720988
-0.00006629 0.00018089 0.00003444
0.00568639 -0.00457359 0.03246535
9.22000555 -3.76482192 6.37689869
0.00023649 -0.00047248 0.00009463
0.01434419 -0.01448810 0.00523404
-21.64556057 1.57694661 24.43351252
-0.00021665 0.00003386 -0.00002083
0.02324161 0.02162480 0.00865628
24.89058102 -1.74742283 -6.54553636
-0.00005947 -0.00000196 -0.00017161
0.00505623 -0.00444812 -0.01303285
11.91739754 -11.91839421 -10.07201489
0.00031547 -0.00018961 -0.00017943
0.00452217 0.00723747 0.02803554
-4.70372023 -10.47261266 16.58964019
0.00008342 -0.00036954 0.00014023
-0.01536236 0.00245611 -0.03514775
8.22600131 2.54982843 -30.97246709
0.00008266 0.00024705 -0.00047201
0.01727142 -0.02229556 -0.00011836
11.00144896 16.92269434 14.59687549
0.00013724 -0.00026434 -0.00014803
-0.01225648 0.02415950 -0.00068206
30.63708395 7.22715637 -7.40485097
0.00011912 -0.00013899 0.00034399
-0.01638473 0.02005186 -0.00478388
5.48837661 -30.16509043 -5.09343214
-0.00049046 -0.00017916 -0.00004249
0.01079400 0.01787048 -0.03207410
4.10706051 -30.45345228 -2.70545609
0.00035443 0.00085394 0.00073433
0.00773540 -0.01311543 -0.00157587
-12.64657435 -1.90990915 -13.20675694
0.00028025 -0.00025272 0.00054508
0.00894740 0.00341171 0.00301290
-11.75522916 0.80806349 -12.44542454
-0.00038866 -0.00072451 -0.00078473
-0.00124076 -0.00327341 -0.01517004
-37.85998146 4.30282371 2.73140833
0.00039539 0.00084344 0.00049973
-0.01456079 -0.03672028 0.00444707
-39.54098164 1.73075304 3.45711400
0.00044633 -0.00049564 0.00014969
-0.00032567 0.01033142 -0.00579043
-10.14884858 -3.46702306 0.90539159
-0.00098720 0.00042499 0.00035718
-0.00149341 0.01118458 0.00683359
-8.58093884 -3.45463633 3.42623844
-0.00086424 0.00059005 -0.00094068
-0.00858860 0.00984864 -0.01427770
0.61886045 -0.65418875 7.20889003
0.00111250 -0.00008119 -0.00087322
-0.00923515 -0.01408179 -0.03731627
1.82146405 1.19084344 8.85859471
-0.00044983 -0.00023524 -0.00007236
-0.00494116 -0.00705253 0.01380831
-32.75375017 0.85710958 1.94325187
-0.00068091 0.00059930 -0.00082131
0.01293687 0.01567319 0.00708008
-34.07192489 3.35416212 1.55269300
-0.00061200 0.00015627 -0.00069395
-0.00170624 0.00466244 0.00450373
12.62825563 12.98873029 -15.35108792
-0.00020820 -0.00007598 -0.00025253
0.04524211 0.01525056 0.01584552
15.55434712 12.73854892 -14.54813287
-0.00064531 0.00009692 -0.00025327
0.01428941 -0.01890313 -0.01783459
-4.00368517 8.78498879 4.33428836
-0.00047623 -0.00026733 0.00008676
-0.00603109 -0.00509009 0.01066989
-3.75973699 6.89236063 2.28636173
-0.00084396 -0.00094471 0.00098071
0.00760980 -0.01411082 -0.02810465
6.14985153 15.73935120 -9.85784999
0.00026528 -0.00033724 -0.00035668
0.00519185 -0.00149893 -0.01389636
7.63556083 17.03957304 -7.71542062
0.00028487 0.00012016 0.00025710
0.01138131 -0.00304107 -0.00120658
7.60162625 7.33205773 -22.66820173
-0.00025761 0.00004334 -0.00015614
-0.01389725 -0.00891647 0.02285236
7.78796810 8.54663799 -20.05486103
-0.00030795 0.00085350 -0.00091957
-0.00845987 -0.01419386 -0.00022346
21.59037112 17.51021851 -2.42918140
-0.00036343 -0.00077196 0.00056467
-0.01121281 0.00260598 0.00667566
24.30622909 17.79376160 -3.46870298
-0.00089717 -0.00009412 0.00003611
-0.01054187 -0.00123298 0.01226986
1.05439059 11.18512853 -20.93974123
-0.00043189 0.00003928 0.00121054
-0.00942397 -0.02045475 -0.00645977
0.70357586 13.86993650 -22.22214238
0.00043175 0.00025870 0.00047924
-0.00277911 0.00108874 -0.00344561
9.96365628 -5.31614787 -1.72919799
0.00117461 0.00133061 -0.00007545
0.00737738 0.01302575 -0.00061955
9.90062407 -2.90023867 -3.33477776
0.00105350 -0.00055674 -0.00049995
-0.01001413 0.00675808 -0.00815652
-18.52647426 -4.27264592 5.36537986
0.00077802 0.00025550 0.00058237
-0.00708592 -0.00520266 0.01471270
-17.50072842 -3.23920210 3.06603711
-0.00089337 0.00006486 -0.00031958
0.00387526 0.00608907 -0.01421119
-15.37606046 0.48629993 16.74205915
0.00013329 0.00044133 0.00002335
0.00009304 0.00410160 -0.01604526
-13.82578765 1.04903589 19.05565747
-0.00014464 0.00034952 0.00059940
0.00598907 0.00839776 0.00606025
3.14228246 4.04705946 -3.95117544
0.00014304 0.00064005 0.00077652
-0.00465365 0.01221605 0.00219165
3.42039204 1.38902506 -3.32641806
0.00085789 0.00082044 -0.00061041
0.00277762 -0.00986344 0.00591581
23.38099030 -9.64585974 -10.40737245
0.00028010 -0.00053161 -0.00037264
-0.01252045 -0.03088427 -0.01056217
25.01132090 -7.96143329 -8.68920599
0.00025434 0.00022033 -0.00029236
-0.01800027 0.00648906 -0.01517208
2.38419046 -9.18918042 5.77147971
-0.00021501 0.00008236 0.00013697
-0.00236812 0.01164470 0.00847931
1.99819685 -8.16340646 8.57091531
-0.00093630 0.00054769 0.00109645
0.00184966 0.00666320 -0.02360278
-3.35679598 -2.75631963 -17.98785107
0.00037686 -0.00015586 -0.00036507
-0.00340281 0.02419803 0.00281565
-5.06724574 -0.55206420 -16.99722458
0.00032531 -0.00049879 0.00028420
0.01294085 0.00209189 -0.00081754
2.06386288 4.88046047 -11.91405488
0.00029279 0.00075899 -0.00096050
0.00155799 0.00249439 -0.00806570
1.73268577 4.33038438 -9.17965265
-0.00009021 0.00044974 0.00073081
-0.00372160 -0.00548428 0.01099701
-1.06647838 16.02820871 13.55276025
-0.00045646 -0.00124657 0.00094785
0.01225479 -0.01173425 -0.01611834
-2.37420552 17.05600825 15.85148472
-0.00001226 -0.00039300 -0.00026283
-0.01542787 -0.00180805 -0.03162970
-2.05408273 1.29641399 -5.42344638
-0.00071037 0.00078030 0.00015276
0.00176895 -0.00102703 0.01135131
-3.09974298 0.79422033 -8.16277862
-0.00076503 -0.00010040 -0.00022726
0.01880420 0.03131559 0.01501909
-8.42527109 -3.08748220 -4.37532769
-0.00059070 0.00017690 0.00084624
0.03590206 0.01905944 -0.00652758
-7.36448324 -0.40643395 -3.91996791
-0.00031324 0.00061114 0.00006760
0.00438963 -0.00050937 -0.00652196
1.31622860 28.19679471 5.68483263
0.00042699 0.00006532 0.00028151
-0.02007243 0.00661931 0.03374455
-1.50690874 28.10519055 6.70158231
-0.00071849 -0.00041905 0.00039081
0.05100214 0.01096674 0.01616137
8.35910642 -9.40273976 -1.95187576
0.00052025 -0.00021385 0.00024322
0.00305347 0.00521430 -0.00542906
10.34404256 -9.70473232 0.15282791
0.00106131 0.00071862 0.00056533
0.00738452 0.00250696 -0.00373978
-5.85375776 0.40695671 9.17289857
-0.00048469 -0.00048436 -0.00095197
0.00119036 -0.01508659 0.01696713
-8.61272007 -0.19975213 7.99353178
0.00021839 -0.00005130 -0.00007302
0.01960808 0.00328274 0.01148080
19.50649071 11.31089098 8.22698464
-0.00005219 -0.00046296 0.00011716
-0.00552498 -0.00860628 -0.03267730
19.61280199 13.34323581 6.19973643
0.00039623 0.00008499 0.00056394
-0.00917529 -0.02724200 -0.00788621
-2.77842216 -2.00129318 -22.66560341
-0.00074030 0.00060619 -0.00069304
-0.01192508 -0.04557543 -0.00503527
-4.81900058 -3.19143187 -24.24790737
-0.00029974 0.00143423 -0.00038490
-0.01456953 -0.00267416 -0.01469127
-12.46376556 9.11274601 9.70791930
-0.00005364 -0.00020536 0.00059118
-0.00228691 -0.00186751 0.00953133
-12.87082901 8.99029175 6.97909535
0.00035090 0.00053297 0.00046410
-0.00456317 -0.00289764 -0.01211689
-13.04029977 7.41884087 -4.64406315
-0.00097860 0.00042305 -0.00046010
-0.00156361 -0.00359103 -0.00624352
-11.91120221 9.10304061 -2.52865835
-0.00094690 -0.00079714 -0.00048543
0.00036172 -0.01494339 -0.00316662
-5.01855064 -17.24908167 19.87957952
-0.00029014 0.00046107 0.00056778
-0.03674542 -0.02228626 -0.01669221
-2.23761784 -16.43079644 19.33368969
-0.00021446 0.00115559 -0.00026807
-0.00298462 -0.00337076 0.00132470
-3.33904341 5.45917385 -7.22494506
0.00064290 0.00022132 -0.00041513
-0.00042474 -0.01041789 0.00400149
-4.21952184 8.23868105 -6.50768643
-0.00145253 0.00024948 0.00146861
-0.00204316 0.00980150 0.00542867
-21.16973225 28.01933487 0.90857886
-0.00009465 0.00027252 0.00141141
0.00042765 0.00266445 0.00039779
-18.81866606 29.80287794 0.92968596
-0.00124437 0.00080350 -0.00077245
-0.01595842 -0.00337191 0.00767208
8.22818659 2.68464565 6.47574372
-0.00021291 -0.00018513 -0.00016686
0.03776740 0.00729660 0.00757153
9.47500090 4.67932584 8.27232735
0.00066575 0.00092097 0.00128002
-0.00149158 0.00303774 -0.00309264
7.32848940 15.84927237 -13.79617658
-0.00004734 0.00025494 0.00218405
0.01750352 0.02900599 -0.02300986
7.35952758 13.10588114 -13.21509079
0.00195066 -0.00002096 -0.00050866
-0.01110619 0.00571807 0.00379471
12.93028156 5.06433226 -3.11255576
-0.00044638 -0.00040169 0.00059909
0.02708994 -0.02421094 0.00115644
13.05182913 2.85353311 -1.35033289
0.00076293 -0.00007468 -0.00046772
0.03000806 0.01164335 -0.00687498
-4.84279714 9.67719931 -0.67073394
-0.00008013 0.00084163 -0.00109251
-0.02223871 0.01372128 0.00576099
-7.78762751 9.94315952 -0.43661091
0.00027318 -0.00058796 0.00021303
0.02078959 0.01297039 0.00889825
4.82610271 13.21535221 2.04476306
0.00100722 0.00022715 -0.00023471
-0.00648288 -0.00620323 -0.00435955
7.64661287 12.29321969 2.71092616
0.00100041 -0.00069911 -0.00010506
-0.01255913 0.00796610 0.00445554
21.22639538 -13.12160800 -10.27865511
0.00020502 -0.00031164 -0.00058456
0.00075848 0.01334125 -0.02501122
22.78312030 -13.42183310 -12.84949837
0.00083685 0.00046691 -0.00046285
-0.02321403 0.01806466 0.01015717
17.54900166 -5.78415913 1.78554955
-0.00072942 0.00133105 -0.00113987
0.00672608 0.01119414 -0.00898221
16.37452915 -8.00573687 2.93263358
-0.00015874 0.00080220 0.00051577
-0.00420725 -0.00308097 0.01023600
14.38025933 8.22019812 10.63525134
0.00049449 -0.00039571 -0.00116770
0.00216618 -0.00774412 -0.00564862
16.73195569 6.55417421 10.74034229
0.00026109 0.00002010 -0.00017768
0.00395889 -0.00049481 0.00744635
1.37522489 -13.36427587 15.49657515
-0.00098185 0.00037163 0.00183364
-0.00590681 0.00105750 -0.00092386
3.37347788 -12.29621617 17.28893402
-0.00080133 0.00077753 -0.00032626
0.00347108 0.00440473 0.00091836
-3.49195079 -2.65010587 -9.81193343
-0.00020681 -0.00017523 0.00058200
-0.00233559 -0.01753837 0.00770184
-1.90640489 -1.22431527 -11.81904957
-0.00040929 -0.00068449 -0.00009960
-0.02627531 0.00961696 0.01523048
15.01585526 -7.98982715 -11.29270470
-0.00096851 -0.00080329 -0.00108471
-0.00417751 0.00445134 -0.03096369
17.04014743 -7.06695962 -9.22544034
0.00023077 0.00003097 0.00039579
-0.01066606 0.00140515 -0.00143718
7.60704257 -3.25897040 5.63133000
0.00107929 -0.00107193 0.00014100
0.00242403 -0.00135702 -0.00907882
10.52907560 -4.16926833 5.04717132
0.00012152 -0.00053418 0.00008714
-0.03353259 0.01708265 0.01595746
-20.93060799 0.91357121 22.92828852
0.00057871 -0.00047317 -0.00002654
0.00165351 -0.00232193 -0.01259018
-23.21499496 0.78367582 24.77123461
-0.00034472 0.00020084 -0.00075714
-0.02080707 -0.01242638 0.00810270
25.92211955 -2.52952456 -7.89764981
0.00087184 -0.00033708 0.00043101
-0.00970661 0.00117242 0.01392834
23.62812587 -0.72852922 -7.38429663
-0.00025369 -0.00003862 -0.00029979
0.00255124 -0.00103300 -0.00083233
10.93133171 -12.70422735 -8.65077765
-0.00088387 0.00099694 0.00025766
0.01339216 0.01198487 -0.01899738
13.04537252 -10.53381882 -9.42905888
0.00072827 -0.00051526 0.00020753
-0.01894078 -0.02183245 -0.00794786
-5.57105922 -10.42215915 18.17935648
0.00062281 -0.00015520 -0.00015464
-0.00858281 0.00339186 0.01110312
-5.91319193 -9.91578472 15.19664884
0.00084212 0.00027199 -0.00102321
0.02496717 -0.00753758 0.03073378
9.19785585 1.11933843 -31.75321379
-0.00046729 -0.00029175 0.00042281
-0.01187601 0.00951071 0.01164177
6.87472749 2.77469476 -32.14803994
0.00048343 0.00028647 -0.00121123
-0.01428907 0.00417516 -0.00390288
11.40210513 17.68948395 12.99206687
0.00008661 -0.00020450 -0.00089872
-0.00163467 0.01321489 -0.00088546
11.93812511 15.42825418 14.41374285
0.00045917 -0.00028380 -0.00040678
0.01793326 -0.02644345 0.00469682
31.07319883 5.50752491 -7.86709975
0.00025710 0.00026055 -0.00020250
-0.00306082 -0.01355006 -0.00701264
28.79465306 7.36620820 -7.61137922
-0.00142948 0.00016951 -0.00065530
0.01249486 0.00081367 -0.00009814
-8.37476200 4.81820340 5.66270318
0.00012984 -0.00003726 0.00004015
0.00685546 0.00235980 0.00015622
-10.73144819 10.12562535 3.34990200
-0.00001374 -0.00005460 -0.00006610
-0.00792875 -0.00175757 0.00542728
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08301302
0.33582950
447.47597617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3077924615 (a.u.)
total exchange computation time: 2.7555050850 s
-153.9250353494
-931.41554099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3079973102 (a.u.)
total exchange computation time: 2.7556509972 s
-153.9239158213
Anderson extrapolation: theta=1.3493612343 (1.3493612343)
-931.41574981
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3081996235 (a.u.)
total exchange computation time: 2.7567269802 s
-153.9228974538
Anderson extrapolation: theta=0.0496573414 (0.0496573414)
-931.41587323
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3081464591 (a.u.)
total exchange computation time: 2.7551329136 s
-153.9233094882
Anderson extrapolation: theta=1.8819458925 (1.8819458925)
-931.41587752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3080212322 (a.u.)
total exchange computation time: 2.7585649490 s
-153.9242189276
Anderson extrapolation: theta=0.2076818155 (0.2076818155)
-931.41588187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3079846779 (a.u.)
total exchange computation time: 2.7539801598 s
-153.9244335564
Anderson extrapolation: theta=1.9108754756 (1.9108754756)
-931.41588267
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3079271981 (a.u.)
total exchange computation time: 2.7557520866 s
-153.9247066485
Anderson extrapolation: theta=0.2879390238 (0.2879390238)
-931.41588373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3079240659 (a.u.)
total exchange computation time: 2.7565169334 s
-153.9246513904
Anderson extrapolation: theta=1.3362162080 (1.3362162080)
-931.41588400
-122.835675 76.335683 -36.114047
566.898713 1066.848823 -418.181816
444.063038 1143.184506 -454.295863
1307.840788
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3079301215 (a.u.)
total exchange computation time: 2.7564210892 s
677.69929736
-1081.74981119
90.03174107
-390.44789738
-174.64128398
77.19537478
551.60419304
0.00000000
-931.41588423
5.33194112 -31.35846209 -3.77856336
-0.00041260 -0.00015519 -0.00001542
-0.02446630 -0.00088321 0.03459532
-11.86498262 -0.91538571 -11.80749138
0.00004707 0.00021552 0.00009102
0.00207077 -0.01040040 0.00802433
-37.86412932 2.41965880 3.18053351
0.00003807 0.00020446 -0.00017308
0.01276393 0.03118242 0.00398608
-10.03252197 -2.63186310 2.56627863
-0.00015210 0.00012909 0.00034848
0.02164733 -0.01263018 0.00877042
0.91441153 -0.41223105 8.93157084
0.00023228 -0.00025736 0.00003616
0.01057417 0.01323423 0.01455963
-32.38243080 2.70850783 1.80619822
0.00009539 -0.00026006 0.00000207
-0.01879999 -0.02068591 -0.00809764
14.17234646 13.88410078 -14.58442211
0.00036043 0.00027681 -0.00015479
-0.06373846 0.00206613 -0.00283195
-4.38810635 7.00718427 3.94442905
-0.00034669 -0.00005727 -0.00028792
-0.00471645 0.01131754 0.03616797
5.94997181 16.64557363 -8.27148592
0.00017845 -0.00011397 0.00043047
-0.01838683 0.00021226 0.01374569
6.67649838 7.32915505 -20.96319839
-0.00017457 0.00016781 0.00013836
0.02905053 0.01380152 -0.02521042
23.31880404 17.08232303 -2.05061306
0.00005475 -0.00007641 0.00011272
0.02947237 -0.00265782 -0.01910778
1.43693141 12.93550669 -20.84836267
0.00005255 -0.00004250 0.00007471
0.01491758 0.01562805 0.00872104
10.44066147 -3.50394797 -1.72890380
-0.00010784 -0.00020372 -0.00030810
0.00093083 -0.02271296 -0.00181691
-17.74997964 -2.72789608 4.78220807
0.00014720 -0.00025472 0.00006778
0.00115397 -0.00442529 -0.00364849
-15.20707017 0.05193572 18.47913579
0.00020796 -0.00019851 -0.00027233
-0.00012398 -0.00976566 0.00709515
2.43886559 2.83798223 -2.78505374
-0.00062363 0.00013065 0.00022597
0.00347178 -0.00134873 -0.01147920
23.49208138 -7.97637199 -9.78155497
0.00020047 -0.00012101 -0.00015376
0.02992179 0.02493678 0.02912435
1.64044266 -7.82995415 6.77131352
0.00030866 0.00012738 0.00005863
-0.00211979 -0.00250316 0.01457100
-3.46757352 -0.87688350 -17.92680230
0.00042684 0.00037581 0.00025134
-0.00795130 -0.03225272 0.00031041
2.98218897 4.23160445 -10.46949975
-0.00045678 -0.00009020 0.00034345
-0.00058922 0.00289793 -0.01049979
-2.63249927 16.87516915 13.98475673
0.00004846 0.00015413 0.00010339
0.00145266 0.00604818 0.04557161
-2.24856765 2.14155163 -6.99913212
0.00009011 0.00001541 0.00013656
-0.01956621 -0.02722354 -0.03618951
-6.81622042 -2.04830594 -4.56481562
-0.00014900 -0.00013066 -0.00014629
-0.04213292 -0.01059088 0.01691917
0.35928129 28.34143330 7.34997729
-0.00002417 0.00004414 -0.00015594
-0.02933478 -0.01889593 -0.05556098
10.16302642 -9.16450063 -1.61512181
0.00005457 -0.00008504 -0.00031008
-0.00385225 -0.00591982 0.00805803
-6.97446213 0.64228247 7.77291880
-0.00022481 0.00042167 0.00030405
-0.02612851 0.01036726 -0.03781908
18.88183217 11.60970318 6.44137988
0.00022192 -0.00007594 0.00027615
0.01541840 0.03213172 0.03571822
-3.40655197 -3.74188670 -23.22764947
-0.00009268 0.00021524 0.00010927
0.01189540 0.05275037 0.01243364
-13.64262579 8.36079357 8.52080118
0.00002821 0.00006619 0.00021365
0.00907014 0.00426664 -0.00022097
-12.29575237 7.31477939 -2.93979654
-0.00016076 -0.00012092 -0.00020529
0.00545077 0.01728887 0.02015698
-3.58692244 -16.49033819 20.55972292
-0.00036848 -0.00026304 0.00011686
0.04946581 0.03285640 0.02244498
-3.64458317 7.14907363 -7.84088377
-0.00035485 0.00025885 -0.00011076
0.00683470 0.00798939 -0.00993047
-20.66159336 29.74104658 1.30497575
0.00022986 0.00014261 -0.00009383
0.00662461 0.00053794 -0.00036308
9.88613624 3.10766580 7.39045029
-0.00005053 -0.00006013 -0.00019413
-0.03948785 0.00884406 -0.00449319
6.42070699 14.65876686 -12.85027490
0.00011847 0.00032243 0.00033408
0.00025474 -0.05345372 0.02022039
14.16066194 3.62149998 -2.71008977
-0.00013526 -0.00032989 0.00014535
-0.05388008 0.01652649 -0.00196017
-6.20042270 10.93557867 -0.31814908
0.00029931 -0.00028130 0.00001811
0.00270472 -0.02316172 -0.01683113
6.25687781 13.43859732 3.15231305
-0.00001722 0.00055246 0.00011989
0.02874312 -0.00526969 0.00587915
21.81726836 -12.13735872 -11.79271563
-0.00014323 0.00006604 0.00003357
0.01382326 -0.03532555 0.01671209
16.86946169 -6.30298861 3.38483791
0.00027846 -0.00009367 -0.00010081
0.00169545 0.00632803 -0.01137080
15.38468945 7.02066682 9.62279184
0.00004705 -0.00023823 -0.00029817
-0.00712894 0.00252277 -0.00601723
3.00641040 -13.71031352 16.18711363
0.00001037 -0.00004794 -0.00046393
0.00379293 -0.00128283 0.00339026
-3.59722401 -1.19712158 -10.88532630
0.00003190 -0.00025229 -0.00014294
0.02610048 0.01703787 -0.01659883
15.33125550 -7.78441291 -9.53656811
-0.00006369 0.00017818 0.00004868
0.00439727 -0.00596398 0.02294666
9.22360824 -3.77196498 6.37833826
0.00024517 -0.00048033 0.00009800
0.01941149 -0.01605909 0.00788143
-21.64872072 1.57753793 24.43323341
-0.00020414 0.00004460 -0.00001736
0.02542306 0.02012917 0.00485206
24.88970846 -1.74746935 -6.54816075
-0.00005687 -0.00000423 -0.00017838
0.00503946 -0.00438411 -0.01329216
11.92214711 -11.92121041 -10.07459817
0.00031745 -0.00018591 -0.00016438
0.00314107 0.00713661 0.03049885
-4.70252823 -10.47814633 16.59160799
0.00007601 -0.00036826 0.00012080
-0.01344290 0.00254430 -0.04037582
8.22730779 2.55344820 -30.97954774
0.00009093 0.00023589 -0.00047217
0.01489054 -0.02112333 -0.00050304
11.00346032 16.91882242 14.59465241
0.00013153 -0.00025187 -0.00014962
-0.00997063 0.02435544 -0.00550399
30.63880750 7.22514890 -7.39970961
0.00010784 -0.00012795 0.00034114
-0.02746360 0.02286076 -0.00628902
5.48135053 -30.16723026 -5.09505228
-0.00044642 -0.00010685 -0.00017284
0.01075965 0.01752835 -0.03173592
4.11261403 -30.44104505 -2.69448937
0.00038901 0.00079735 0.00072450
0.00919081 -0.01458814 -0.00323897
-12.64209643 -1.91359548 -13.19848842
0.00031576 -0.00024026 0.00055635
0.00843329 0.00269242 0.00250305
-11.76109715 0.79709560 -12.45766042
-0.00039287 -0.00072872 -0.00084825
-0.00081757 0.00120930 -0.01592268
-37.85449676 4.31435006 2.73904055
0.00033440 0.00068968 0.00051814
-0.01529730 -0.03854339 0.00456403
-39.53429673 1.72363505 3.45918193
0.00044366 -0.00045262 0.00012611
-0.00098020 0.01072837 -0.00575159
-10.16370231 -3.46030553 0.91095875
-0.00099323 0.00047030 0.00038391
-0.00145827 0.01099624 0.00624841
-8.59416558 -3.44548374 3.41169066
-0.00088534 0.00062271 -0.00098989
-0.00173910 0.00613484 -0.00980903
0.63526496 -0.65583817 7.19464826
0.00107717 -0.00013749 -0.00101091
-0.00805882 -0.01347377 -0.03008331
1.81456522 1.18709866 8.85793243
-0.00046733 -0.00025937 -0.00001492
-0.00362802 -0.00475757 0.01431042
-32.76356746 0.86657937 1.93114913
-0.00062868 0.00065445 -0.00079073
0.01263203 0.01132271 0.00789133
-34.08115717 3.35664899 1.54242175
-0.00060586 0.00017130 -0.00067341
0.00471402 0.00269764 0.00555204
12.62651897 12.98805793 -15.35439027
-0.00001962 -0.00001044 -0.00018575
0.04707174 0.01683353 0.01684328
15.54510532 12.73942347 -14.55247847
-0.00057752 0.00001301 -0.00032570
0.01889412 -0.02217338 -0.01761696
-4.01101337 8.78082293 4.33591666
-0.00049991 -0.00028648 0.00012900
-0.00556287 -0.00428707 0.01000904
-3.77216326 6.87775761 2.30021116
-0.00080451 -0.00100272 0.00084401
0.01170254 -0.01428778 -0.03880899
6.15398983 15.73424672 -9.86362605
0.00028542 -0.00033797 -0.00040352
0.00466726 0.00113841 -0.00903242
7.64018271 17.04128218 -7.71160113
0.00032982 0.00010696 0.00025163
0.01061848 -0.00341648 -0.00147120
7.59733620 7.33243462 -22.66984355
-0.00031526 0.00000631 -0.00006146
-0.01432299 -0.00920975 0.02349276
7.78308966 8.55900552 -20.06866142
-0.00034178 0.00079595 -0.00091841
-0.00810091 -0.01397599 0.00078868
21.58457608 17.49871895 -2.42050679
-0.00040690 -0.00076159 0.00059260
-0.01006415 0.00246858 0.00699600
24.29244852 17.79231202 -3.46778528
-0.00093628 -0.00009665 0.00008140
-0.00860365 -0.00000555 0.00989568
1.04762345 11.18509095 -20.92178110
-0.00047109 -0.00004307 0.00118313
-0.00976629 -0.01985567 -0.00695516
0.70996700 13.87385040 -22.21505940
0.00041776 0.00026413 0.00046144
-0.00407027 0.00157004 -0.00526867
9.98150156 -5.29578962 -1.73034877
0.00119761 0.00136003 -0.00007840
0.00387869 0.00137689 -0.00082258
9.91611968 -2.90838269 -3.34252697
0.00101113 -0.00052764 -0.00053716
-0.01072366 0.00748597 -0.01005948
-18.51502108 -4.26897288 5.37456623
0.00074595 0.00022751 0.00064418
-0.00861193 -0.00849544 0.01554368
-17.51401025 -3.23804268 3.06080800
-0.00087833 0.00008985 -0.00037427
0.00348742 0.00614675 -0.01256276
-15.37405822 0.49304550 16.74191780
0.00013386 0.00045880 -0.00004374
0.00018479 0.00445205 -0.01679917
-13.82777368 1.05453610 19.06483420
-0.00012477 0.00038062 0.00062186
0.00373545 0.00682246 0.00493539
3.14428548 4.05703461 -3.93946045
0.00012125 0.00068844 0.00078864
-0.00601159 0.01146919 0.00374035
3.43334549 1.40102943 -3.33539286
0.00086427 0.00078411 -0.00058302
0.00034648 -0.00792231 0.00748947
23.38480809 -9.65478027 -10.41328571
0.00022954 -0.00065024 -0.00041217
-0.01222884 -0.02718539 -0.00878861
25.01458447 -7.95792949 -8.69405627
0.00018166 0.00024640 -0.00035380
-0.01757785 0.00627409 -0.01490655
2.38089275 -9.18758823 5.77379415
-0.00022262 0.00012683 0.00017103
-0.00135669 0.01012335 0.00819113
1.98420904 -8.15498686 8.58663881
-0.00092921 0.00057500 0.00099088
0.00161997 0.00670119 -0.02807356
-3.35124733 -2.75791596 -17.99324085
0.00036325 -0.00005084 -0.00035329
-0.00326218 0.02720716 0.00295084
-5.06196961 -0.55948193 -16.99298667
0.00037759 -0.00048906 0.00028074
0.01265151 0.00267192 -0.00087299
2.06830243 4.89192175 -11.92870956
0.00030401 0.00076367 -0.00097962
0.00393523 -0.00020487 -0.00129065
1.73121859 4.33696240 -9.16835347
-0.00010572 0.00042818 0.00077243
-0.00387129 -0.00507020 0.00937704
-1.07294983 16.00915062 13.56648411
-0.00040659 -0.00129371 0.00088019
0.01216152 -0.01134339 -0.01700204
-2.37486213 17.05005778 15.84657298
-0.00007541 -0.00039849 -0.00038548
-0.01548449 -0.00087835 -0.02840731
-2.06468403 1.30808702 -5.42080722
-0.00070256 0.00077239 0.00020513
0.00205252 -0.00284437 0.01428852
-3.11064220 0.79367399 -8.16572732
-0.00068489 0.00003047 -0.00016257
0.02042337 0.03274386 0.01664831
-8.43303151 -3.08424468 -4.36283404
-0.00044160 0.00025497 0.00081854
0.03708464 0.01915490 -0.00703643
-7.36904733 -0.39728249 -3.91915375
-0.00029169 0.00059985 0.00003689
0.00616144 -0.00501751 -0.00851271
1.32201841 28.19797730 5.69008937
0.00034426 0.00009186 0.00041678
-0.02042827 0.00637222 0.03246759
-1.51612316 28.09924081 6.70793973
-0.00050537 -0.00037353 0.00045618
0.05331717 0.01131828 0.01583457
8.36700374 -9.40578773 -1.94839381
0.00052566 -0.00019353 0.00022064
-0.00040345 0.00473076 -0.00562632
10.36018848 -9.69387623 0.16119320
0.00108919 0.00073081 0.00054010
0.00626591 0.00346092 -0.00860826
-5.86099158 0.39922903 9.15913896
-0.00046932 -0.00054778 -0.00086986
0.00633092 -0.01596025 0.02322330
-8.60884339 -0.20042105 7.99278832
0.00029538 -0.00003912 -0.00002605
0.01807851 0.00268020 0.01151150
19.50553861 11.30368291 8.22774071
-0.00007396 -0.00049786 -0.00001415
-0.00513287 -0.00848112 -0.03159782
19.61846430 13.34367593 6.20795383
0.00035822 -0.00002773 0.00053177
-0.00943042 -0.02793864 -0.00786020
-2.78989208 -1.99359683 -22.67615334
-0.00078549 0.00042119 -0.00071093
-0.01019789 -0.04498413 -0.00371985
-4.82394317 -3.17000035 -24.25413106
-0.00035144 0.00141709 -0.00043984
-0.01073523 -0.00571522 -0.01220240
-12.46464023 9.10960835 9.71707907
-0.00006369 -0.00021348 0.00062921
-0.00263329 -0.00210782 0.00908487
-12.86570527 8.99819746 6.98568550
0.00033157 0.00052025 0.00041553
-0.00489959 -0.00332945 -0.01165819
-13.05502668 7.42507655 -4.65115600
-0.00098203 0.00040605 -0.00048020
-0.00011667 -0.00472913 -0.00359665
-11.92539469 9.09062559 -2.53603680
-0.00094181 -0.00084685 -0.00049454
0.00213312 -0.00938902 -0.00129188
-5.02402871 -17.24284851 19.88758475
-0.00044667 0.00036637 0.00049474
-0.03987611 -0.02407317 -0.01906260
-2.24092623 -16.41356581 19.32970924
-0.00023278 0.00114066 -0.00025853
-0.00598108 -0.00394164 0.00334449
-3.32941291 5.46217434 -7.23104938
0.00064056 0.00017988 -0.00039925
-0.00071952 -0.00986592 0.00377281
-4.24137247 8.24272366 -6.48549092
-0.00145297 0.00027645 0.00147322
0.00183206 0.00339713 -0.00317129
-21.17113895 28.02350432 0.92976219
-0.00009350 0.00027833 0.00141138
0.00013920 0.00017936 -0.00041143
-18.83782063 29.81482709 0.91833431
-0.00129430 0.00078890 -0.00074415
-0.00848446 -0.00377183 0.00618178
8.22615030 2.68209236 6.47347283
-0.00005827 -0.00015307 -0.00013474
0.03792857 0.00839325 0.00815171
9.48494142 4.69323355 8.29143283
0.00066153 0.00091655 0.00125651
-0.00057514 -0.00520369 -0.00841279
7.32831565 15.85398528 -13.76412084
0.00003389 0.00038800 0.00208003
0.02225779 0.03612672 -0.02791077
7.38844708 13.10574199 -13.22260438
0.00189433 0.00001787 -0.00048874
-0.01646630 0.01328618 0.00595691
12.92441605 5.05756505 -3.10353398
-0.00033558 -0.00049974 0.00060259
0.02714708 -0.02378627 0.00055557
13.06419267 2.85276976 -1.35755943
0.00087888 -0.00003257 -0.00048753
0.02674735 0.00896875 -0.00282165
-4.84468062 9.69024422 -0.68694511
-0.00016308 0.00089007 -0.00106969
-0.01836178 0.00999151 0.00541334
-7.78289269 9.93473754 -0.43314282
0.00035957 -0.00053381 0.00024911
0.02149722 0.01353748 0.00876463
4.84101240 13.21856940 2.04110877
0.00097362 0.00020112 -0.00025725
-0.00996756 -0.00654038 -0.00667165
7.66123419 12.28297717 2.70948683
0.00093396 -0.00065298 -0.00008119
-0.01996752 0.01461469 0.00722693
21.22949392 -13.12587374 -10.28818991
0.00020663 -0.00025962 -0.00068195
0.00002949 0.01211994 -0.02266105
22.79496174 -13.41427594 -12.85612992
0.00073865 0.00054325 -0.00041830
-0.02485723 0.01930662 0.01165087
17.53826643 -5.76385041 1.76817627
-0.00070794 0.00137010 -0.00116309
0.00378792 0.00792411 -0.00238658
16.37201916 -7.99379830 2.94068378
-0.00017825 0.00077774 0.00055286
-0.00534386 -0.00889332 0.00791864
14.38774310 8.21402515 10.61756274
0.00049746 -0.00042042 -0.00118420
-0.00071145 -0.00435106 -0.00242681
16.73599328 6.55446061 10.73790531
0.00027486 0.00001886 -0.00014882
0.00278399 -0.00011512 0.00668088
1.36031617 -13.35866905 15.52405149
-0.00100534 0.00037290 0.00182830
-0.00559234 -0.00043331 -0.00169008
3.36156422 -12.28441830 17.28406823
-0.00078525 0.00078840 -0.00032612
0.00440231 0.00091790 -0.00084970
-3.49512453 -2.65327169 -9.80296744
-0.00021596 -0.00024171 0.00060921
-0.00214483 -0.01500389 0.00561899
-1.91334936 -1.23428797 -11.82007693
-0.00051265 -0.00064530 -0.00003920
-0.02431953 0.00956885 0.01433647
15.00119966 -8.00174016 -11.30992417
-0.00098002 -0.00078169 -0.00118951
-0.00145838 0.00612613 -0.02033565
17.04328216 -7.06645194 -9.21954760
0.00018459 0.00003620 0.00038719
-0.01193913 0.00115310 -0.00276807
7.62330616 -3.27509098 5.63316683
0.00107816 -0.00107384 0.00009910
-0.00297749 0.00042550 -0.01143260
10.52987092 -4.17675759 5.04896734
-0.00001411 -0.00046476 0.00015210
-0.03285961 0.01689725 0.01584066
-20.92187660 0.90640253 22.92750461
0.00058181 -0.00047902 -0.00007027
-0.00013823 -0.00054363 -0.00881468
-23.22080334 0.78630768 24.76012584
-0.00043016 0.00014985 -0.00072391
-0.02101564 -0.01253477 0.00816380
25.93489973 -2.53454479 -7.89075786
0.00082946 -0.00033057 0.00048849
-0.01103965 0.00201154 0.01420839
23.62439867 -0.72914024 -7.38881903
-0.00024061 -0.00004482 -0.00030304
0.00385176 -0.00200202 -0.00075607
10.91848406 -12.68890606 -8.64749489
-0.00082604 0.00104605 0.00017615
0.01491533 0.01205582 -0.02090011
13.05571618 -10.54221675 -9.42618953
0.00065033 -0.00060440 0.00017426
-0.01920971 -0.02180155 -0.00833741
-5.56198009 -10.42438325 18.17737718
0.00058240 -0.00014001 -0.00010365
-0.01119627 0.00404517 0.01385429
-5.89979508 -9.91193586 15.18224251
0.00094471 0.00023984 -0.00089278
0.02525416 -0.00820125 0.03311114
9.19048261 1.11525358 -31.74651492
-0.00051318 -0.00025459 0.00046842
-0.01058863 0.00868066 0.01068482
6.88154104 2.77911979 -32.16632804
0.00042755 0.00030323 -0.00122446
-0.01306275 0.00402503 -0.00257155
11.40335417 17.68682145 12.97855900
0.00007772 -0.00015494 -0.00089273
-0.00271654 0.01104428 0.00381784
11.94556219 15.42318686 14.40778501
0.00053010 -0.00038747 -0.00038709
0.01678560 -0.02430453 0.00494490
31.07696152 5.51101799 -7.87035215
0.00024491 0.00020266 -0.00023155
-0.00290458 -0.01478883 -0.00720805
28.77359377 7.36877578 -7.62121176
-0.00135694 0.00017049 -0.00065277
0.02301391 -0.00033171 0.00133757
-8.37279599 4.81765087 5.66330593
0.00013227 -0.00003645 0.00004020
0.00669579 0.00215582 0.00011175
-10.73166806 10.12480322 3.34891989
-0.00001556 -0.00005497 -0.00006483
-0.00781472 -0.00141634 0.00558105
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08296717
0.33291706
443.59529787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3045993217 (a.u.)
total exchange computation time: 2.7554569244 s
-153.9124208217
-931.41147191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3048505659 (a.u.)
total exchange computation time: 2.7561268806 s
-153.9109612923
Anderson extrapolation: theta=1.3484997579 (1.3484997579)
-931.41168491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3051196193 (a.u.)
total exchange computation time: 2.7546749115 s
-153.9094617773
Anderson extrapolation: theta=0.0493983672 (0.0493983672)
-931.41181101
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3050727671 (a.u.)
total exchange computation time: 2.7576971054 s
-153.9098338777
Anderson extrapolation: theta=1.8820219947 (1.8820219947)
-931.41181541
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3049601625 (a.u.)
total exchange computation time: 2.7543458939 s
-153.9106626738
Anderson extrapolation: theta=0.2076217346 (0.2076217346)
-931.41181992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3049264917 (a.u.)
total exchange computation time: 2.7537369728 s
-153.9108580932
Anderson extrapolation: theta=1.9171477955 (1.9171477955)
-931.41182076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3048738341 (a.u.)
total exchange computation time: 2.7581639290 s
-153.9110980394
Anderson extrapolation: theta=0.2872615365 (0.2872615365)
-931.41182188
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3048715787 (a.u.)
total exchange computation time: 2.7570359707 s
-153.9110360403
Anderson extrapolation: theta=1.3328508326 (1.3328508326)
-931.41182217
-122.867726 76.359505 -36.162116
566.901619 1066.889218 -418.180579
444.033893 1143.248724 -454.342695
1307.903294
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0583575581
ExchangeOperator: pair fraction: ispin=0: 0.1427582477
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3048783110 (a.u.)
total exchange computation time: 2.7549059391 s
677.66108235
-1081.66393133
90.03408250
-390.50434437
-174.63383325
77.14882790
551.60419304
0.00000000
-931.41182242
5.32565776 -31.36079332 -3.77866114
-0.00042542 -0.00015502 0.00000236
-0.02538638 0.00153608 0.03453003
-11.86426853 -0.91219298 -11.80609518
0.00004811 0.00020926 0.00009552
0.00197454 -0.01396927 0.00946982
-37.86350899 2.42284594 3.17795271
0.00004496 0.00022070 -0.00017107
0.01403616 0.03199133 0.00380788
-10.03472003 -2.62997545 2.57153964
-0.00014295 0.00012370 0.00035184
0.01395147 -0.00832655 0.00429742
0.91793658 -0.41604039 8.93216938
0.00023704 -0.00025139 0.00004145
0.00793521 0.00995985 0.00599870
-32.38107246 2.70452715 1.80619801
0.00008431 -0.00026887 -0.00000247
-0.02429238 -0.01356076 -0.00956037
14.17750704 13.88826097 -14.58675481
0.00032653 0.00027820 -0.00015636
-0.06809831 0.00331645 -0.00327418
-4.39332491 7.00636885 3.94024979
-0.00035019 -0.00005157 -0.00026671
-0.00889295 0.01085019 0.04630066
5.95257771 16.64386497 -8.26497584
0.00016937 -0.00011446 0.00043639
-0.01694882 -0.00212863 0.00929298
6.67399191 7.33172537 -20.96122017
-0.00015968 0.00017479 0.00012509
0.02886106 0.01337322 -0.02639596
23.31973900 17.08116661 -2.04899595
0.00006895 -0.00007805 0.00010351
0.02575392 -0.00370675 -0.01671177
1.43777715 12.93492948 -20.84720840
0.00006054 -0.00003494 0.00007972
0.01615617 0.01378128 0.01076249
10.43904750 -3.50709134 -1.73353229
-0.00010633 -0.00021216 -0.00030863
0.00492144 -0.01010609 -0.00023230
-17.74776725 -2.73173392 4.78321074
0.00014822 -0.00025624 0.00006521
0.00281263 -0.00147955 -0.00635515
-15.20395119 0.04892033 18.47507825
0.00020845 -0.00020309 -0.00026833
0.00199981 -0.00801947 0.00844970
2.42952453 2.83993673 -2.78170845
-0.00062078 0.00012960 0.00021924
0.00761842 -0.00273709 -0.01470790
23.49520388 -7.97809099 -9.78374903
0.00021541 -0.00010934 -0.00013945
0.02814685 0.02044911 0.02652930
1.64506432 -7.82805316 6.77224912
0.00030725 0.00012658 0.00006723
-0.00333018 -0.00057398 0.01886938
-3.46120153 -0.87137073 -17.92303104
0.00042276 0.00035847 0.00025145
-0.00791562 -0.03518780 0.00013181
2.97533498 4.23026258 -10.46438847
-0.00045764 -0.00008813 0.00033682
-0.00274210 0.00514759 -0.01528047
-2.63176670 16.87750438 13.98648343
0.00004940 0.00015674 0.00012594
0.00219996 0.00410611 0.04208516
-2.24729153 2.14167784 -6.99722332
0.00007971 0.00000158 0.00011696
-0.02084920 -0.02658749 -0.04001787
-6.81861795 -2.05030665 -4.56694473
-0.00017111 -0.00013490 -0.00013697
-0.04384338 -0.00591811 0.01934549
0.35880556 28.34202252 7.34742386
-0.00003957 0.00003448 -0.00018380
-0.03055324 -0.01867984 -0.05279410
10.16383006 -9.16579903 -1.61974195
0.00005383 -0.00008816 -0.00030472
0.00100428 -0.00622937 0.01278505
-6.97793514 0.64864745 7.77733372
-0.00023895 0.00042748 0.00028323
-0.02885593 0.01222531 -0.04314333
18.88522037 11.60868800 6.44565985
0.00022964 -0.00005942 0.00029402
0.01460310 0.03209482 0.03376858
-3.40789634 -3.73845463 -23.22596248
-0.00008813 0.00024270 0.00011454
0.00580355 0.05402935 0.00806204
-13.64216759 8.36180291 8.52400514
0.00003311 0.00006853 0.00021352
0.00996369 0.00482960 -0.00029002
-12.29814277 7.31303224 -2.94279820
-0.00015872 -0.00011342 -0.00019602
0.00250455 0.01190327 0.01589880
-3.59225884 -16.49415705 20.56156239
-0.00034193 -0.00024584 0.00012826
0.05379014 0.03403937 0.02188412
-3.64987949 7.15298724 -7.84258342
-0.00035217 0.00026417 -0.00011377
0.00355626 0.01270536 -0.00177356
-20.65811989 29.74318774 1.30356686
0.00023111 0.00014351 -0.00009339
-0.00178365 0.00297344 0.00207969
9.88522600 3.10679803 7.38752104
-0.00007087 -0.00005388 -0.00019525
-0.03961350 0.01544926 0.00014584
6.42248508 14.66339711 -12.84518573
0.00011881 0.00029179 0.00034493
0.00103878 -0.06568652 0.02199281
14.15842526 3.61661531 -2.70791705
-0.00016192 -0.00032087 0.00014326
-0.04982342 0.01857575 -0.00617637
-6.19592255 10.93126984 -0.31794232
0.00029952 -0.00029222 0.00000970
-0.00191303 -0.01930372 -0.01586432
6.25673033 13.44686389 3.15413407
0.00000002 0.00054834 0.00012287
0.03832813 -0.01075799 0.00570137
21.81517316 -12.13650438 -11.79214768
-0.00013551 0.00004806 0.00004115
0.01620141 -0.03459693 0.01278082
16.87364517 -6.30436929 3.38328184
0.00028040 -0.00008803 -0.00010775
0.00581888 0.01560823 -0.01559493
15.38536772 7.01710314 9.61829606
0.00004455 -0.00023800 -0.00030186
-0.00261073 -0.00161670 -0.00834040
3.00658062 -13.71103756 16.18016774
0.00001186 -0.00004730 -0.00046160
0.00197264 0.00378947 0.00568749
-3.59664490 -1.20084027 -10.88753442
0.00004459 -0.00024425 -0.00015055
0.02325271 0.01423798 -0.01301296
15.33031708 -7.78176328 -9.53574933
-0.00006183 0.00017470 0.00005807
0.00283604 -0.00754494 0.01354182
9.22736068 -3.77923193 6.37983865
0.00025629 -0.00048895 0.00010286
0.02381249 -0.01744376 0.01103142
-21.65168473 1.57828454 24.43299174
-0.00019071 0.00005443 -0.00001581
0.02678689 0.01809344 0.00115689
24.88887477 -1.74754969 -6.55088768
-0.00005433 -0.00000643 -0.00018519
0.00484840 -0.00418597 -0.01318361
11.92692091 -11.92397155 -10.07694617
0.00031866 -0.00018233 -0.00014824
0.00160062 0.00677598 0.03225374
-4.70143994 -10.48366037 16.59326431
0.00006965 -0.00036699 0.00009902
-0.01129401 0.00237607 -0.04433479
8.22872916 2.55690501 -30.98663228
0.00009783 0.00022544 -0.00047257
0.01196130 -0.01951379 -0.00104538
11.00539475 16.91513839 14.59238686
0.00012711 -0.00023955 -0.00015366
-0.00719577 0.02353702 -0.01019836
30.64031918 7.22331780 -7.39461676
0.00009128 -0.00011565 0.00033749
-0.03691925 0.02499590 -0.00790766
5.47498388 -30.16829585 -5.09861740
-0.00040291 -0.00003778 -0.00029957
0.01054262 0.01628049 -0.03029851
4.11873082 -30.42953188 -2.68372115
0.00042887 0.00073526 0.00070823
0.01032289 -0.01580570 -0.00472371
-12.63710166 -1.91711680 -13.19006650
0.00034903 -0.00023096 0.00056541
0.00785677 0.00185831 0.00193384
-11.76701525 0.78620182 -12.47087213
-0.00039540 -0.00071500 -0.00091473
-0.00042172 0.00550960 -0.01661756
-37.84994957 4.32351424 2.74695249
0.00027056 0.00053001 0.00053669
-0.01594875 -0.03961593 0.00451563
-39.52767190 1.71717456 3.46089736
0.00043837 -0.00040813 0.00010275
-0.00160881 0.01104979 -0.00568407
-10.17864541 -3.45291409 0.91690884
-0.00099920 0.00051463 0.00040783
-0.00146681 0.01070244 0.00546172
-8.60749891 -3.43595517 3.39654173
-0.00087679 0.00063921 -0.00102005
0.00592001 0.00194347 -0.00495469
0.65117558 -0.65831335 7.17856281
0.00104686 -0.00019082 -0.00111691
-0.00677868 -0.01263498 -0.02180780
1.80744405 1.18306230 8.85814717
-0.00047927 -0.00027367 0.00004429
-0.00221714 -0.00224094 0.01467327
-32.77261058 0.87674309 1.91953001
-0.00057813 0.00069071 -0.00075692
0.01211491 0.00642590 0.00865842
-34.09010056 3.35930119 1.53249077
-0.00057440 0.00017857 -0.00064862
0.01068608 0.00085979 0.00657971
12.62766715 12.98841723 -15.35666035
0.00017423 0.00006055 -0.00011586
0.04781769 0.01791405 0.01736527
15.53702147 12.73893910 -14.55790374
-0.00049264 -0.00008273 -0.00039723
0.02265691 -0.02469087 -0.01739994
-4.01868250 8.77639433 4.33815838
-0.00052155 -0.00030216 0.00016833
-0.00502767 -0.00338890 0.00924333
-3.78387232 6.86227894 2.31168213
-0.00074919 -0.00106143 0.00066601
0.01537991 -0.01445016 -0.04832681
6.15841417 15.72921200 -9.86995568
0.00030335 -0.00032807 -0.00043055
0.00410847 0.00370827 -0.00419647
7.64545535 17.04278194 -7.70787180
0.00037109 0.00009213 0.00024493
0.00958292 -0.00384441 -0.00180629
7.59216834 7.33224707 -22.67004560
-0.00037409 -0.00003182 0.00003478
-0.01447144 -0.00945450 0.02361836
7.77771474 8.57051653 -20.08241346
-0.00037377 0.00073978 -0.00091292
-0.00756141 -0.01351956 0.00190146
21.57816424 17.48737067 -2.41140343
-0.00044484 -0.00075195 0.00062196
-0.00851040 0.00225110 0.00737559
24.27814067 17.79086209 -3.46626111
-0.00096702 -0.00009382 0.00011618
-0.00644211 0.00139288 0.00712955
1.04025778 11.18383650 -20.90424722
-0.00051122 -0.00012118 0.00115380
-0.00987795 -0.01837845 -0.00740318
0.71610868 13.87786052 -22.20829932
0.00039869 0.00027141 0.00043651
-0.00526371 0.00199168 -0.00693325
9.99958456 -5.27534699 -1.73154997
0.00120596 0.00133901 -0.00008210
0.00021135 -0.01166550 -0.00098977
9.93095807 -2.91606793 -3.35089269
0.00096628 -0.00049605 -0.00058105
-0.01123196 0.00797657 -0.01142036
-18.50409570 -4.26582050 5.38470522
0.00070813 0.00018681 0.00070891
-0.00990378 -0.01142710 0.01614485
-17.52707834 -3.23650655 3.05480897
-0.00086504 0.00011510 -0.00042131
0.00301793 0.00621319 -0.01046422
-15.37204466 0.50006392 16.74074689
0.00013494 0.00047741 -0.00011259
0.00034370 0.00465946 -0.01690354
-13.82953078 1.06045442 19.07431340
-0.00011453 0.00040490 0.00063943
0.00127537 0.00506594 0.00366457
3.14592008 4.06771266 -3.92751623
0.00009388 0.00073345 0.00080712
-0.00738769 0.01056226 0.00530726
3.44632016 1.41254827 -3.34390865
0.00086047 0.00075598 -0.00054919
-0.00220587 -0.00584531 0.00907142
23.38787641 -9.66536689 -10.41973759
0.00018031 -0.00075188 -0.00044377
-0.01186954 -0.02256935 -0.00668034
25.01677077 -7.95404119 -8.69982012
0.00011196 0.00027156 -0.00041329
-0.01654261 0.00604272 -0.01421089
2.37751188 -9.18537562 5.77661059
-0.00022585 0.00016454 0.00020339
-0.00022395 0.00833762 0.00764881
1.97032052 -8.14615656 8.60064179
-0.00092264 0.00060218 0.00086870
0.00159566 0.00660519 -0.03173445
-3.34589860 -2.75784488 -17.99844978
0.00035035 0.00006473 -0.00034099
-0.00305148 0.02936419 0.00307063
-5.05591812 -0.56673589 -16.98880226
0.00042823 -0.00047686 0.00027731
0.01214080 0.00329721 -0.00080768
2.07298316 4.90337047 -11.94344335
0.00032434 0.00075748 -0.00097149
0.00601539 -0.00282386 0.00526589
1.72951414 4.34322968 -9.15647960
-0.00012133 0.00040829 0.00080693
-0.00377038 -0.00466581 0.00750969
-1.07867594 15.98939733 13.57916598
-0.00035832 -0.00133850 0.00080938
0.01146439 -0.01058053 -0.01766253
-2.37646774 17.04405347 15.83992026
-0.00013839 -0.00040005 -0.00049298
-0.01534572 0.00011688 -0.02421515
-2.07515953 1.31958573 -5.41729236
-0.00069381 0.00075768 0.00026843
0.00222926 -0.00435557 0.01669401
-3.12028975 0.79513439 -8.16765571
-0.00059888 0.00016598 -0.00009205
0.02168067 0.03359126 0.01787341
-8.43851916 -3.07983324 -4.35077163
-0.00028938 0.00033234 0.00078893
0.03742993 0.01872281 -0.00745364
-7.37323380 -0.38843853 -3.91886130
-0.00026323 0.00057098 -0.00000160
0.00776868 -0.00911209 -0.01032562
1.32655625 28.19955043 5.69733592
0.00026118 0.00011721 0.00054517
-0.02024001 0.00603621 0.03038103
-1.52206998 28.09398474 6.71526759
-0.00028482 -0.00032690 0.00051965
0.05464744 0.01150656 0.01523466
8.37487633 -9.40854577 -1.94525668
0.00051674 -0.00017528 0.00019732
-0.00396329 0.00420668 -0.00578747
10.37671841 -9.68280803 0.16903092
0.00111235 0.00074655 0.00049560
0.00506677 0.00424539 -0.01317469
-5.86783739 0.39052321 9.14680262
-0.00043358 -0.00061479 -0.00076353
0.01116333 -0.01683849 0.02882933
-8.60385875 -0.20092572 7.99275037
0.00036511 -0.00002987 0.00002095
0.01605450 0.00184874 0.01149542
19.50427194 11.29595507 8.22656028
-0.00009370 -0.00053238 -0.00013963
-0.00453034 -0.00841346 -0.02982820
19.62354865 13.34240379 6.21568950
0.00031976 -0.00014184 0.00049958
-0.00939771 -0.02791931 -0.00789824
-2.80198700 -1.98865738 -22.68693125
-0.00082300 0.00024068 -0.00072289
-0.00816198 -0.04337761 -0.00213363
-4.82954367 -3.14891909 -24.26110258
-0.00038733 0.00138741 -0.00048445
-0.00683541 -0.00881653 -0.00963356
-12.46567627 9.10634152 9.72679561
-0.00007524 -0.00022260 0.00066509
-0.00302096 -0.00235355 0.00847922
-12.86088182 9.00589912 6.99156115
0.00031081 0.00050570 0.00036927
-0.00526550 -0.00378947 -0.01098597
-13.06976074 7.43102239 -4.65846927
-0.00097944 0.00038439 -0.00048946
0.00138556 -0.00587405 -0.00093355
-11.93945645 9.07763516 -2.54349442
-0.00092938 -0.00087269 -0.00049573
0.00395026 -0.00325964 0.00070919
-5.03195062 -17.23809071 19.89442170
-0.00061239 0.00026639 0.00041387
-0.04124928 -0.02486373 -0.02052386
-2.24460117 -16.39657675 19.32593375
-0.00026284 0.00112332 -0.00024109
-0.00873538 -0.00454272 0.00519307
-3.31982650 5.46457019 -7.23692247
0.00063684 0.00014154 -0.00038455
-0.00110397 -0.00889884 0.00342205
-4.26311081 8.24697445 -6.46348977
-0.00143792 0.00027858 0.00144386
0.00553419 -0.00235051 -0.01120179
-21.17253712 28.02768476 0.95092032
-0.00009347 0.00027417 0.00140819
-0.00012508 -0.00221460 -0.00115048
-18.85749517 29.82654508 0.90736151
-0.00131201 0.00077291 -0.00072257
-0.00018398 -0.00405577 0.00438313
8.22643849 2.68005346 6.47170153
0.00009554 -0.00011700 -0.00010097
0.03736223 0.00926272 0.00837811
9.49484669 4.70682234 8.31002273
0.00066047 0.00088009 0.00121199
0.00005738 -0.01264429 -0.01338269
7.32950599 15.86091226 -13.73377566
0.00013269 0.00054743 0.00195846
0.02610545 0.04191792 -0.03159995
7.41635742 13.10641709 -13.22975289
0.00181724 0.00008537 -0.00046044
-0.02126911 0.01975556 0.00789554
12.92021429 5.04934007 -3.09447816
-0.00022567 -0.00059479 0.00060329
0.02665134 -0.02274242 -0.00021213
13.07819546 2.85255608 -1.36495890
0.00098037 -0.00000223 -0.00048934
0.02293172 0.00588275 0.00193730
-4.84768943 9.70390147 -0.70282452
-0.00022891 0.00092235 -0.00104880
-0.01386600 0.00581060 0.00480868
-7.77684039 9.92714522 -0.42913758
0.00044756 -0.00047808 0.00028457
0.02157203 0.01374478 0.00859181
4.85531122 13.22138576 2.03704561
0.00092655 0.00017382 -0.00028872
-0.01307175 -0.00682225 -0.00873428
7.67463179 12.27363033 2.70849041
0.00083974 -0.00058159 -0.00004682
-0.02615576 0.02033094 0.00959661
21.23259426 -13.12939670 -10.29911353
0.00020484 -0.00021343 -0.00076853
-0.00090424 0.01049000 -0.01972099
22.80527978 -13.40553556 -12.86204742
0.00063455 0.00062373 -0.00036835
-0.02610246 0.02008914 0.01280251
17.52776334 -5.74305606 1.75065672
-0.00069808 0.00139549 -0.00115953
0.00104008 0.00450091 0.00413117
16.36918167 -7.98240477 2.94921928
-0.00020258 0.00072962 0.00058039
-0.00656490 -0.01465789 0.00556015
14.39518327 8.20758552 10.59972541
0.00048828 -0.00043069 -0.00118722
-0.00378565 -0.00067753 0.00094661
16.74020150 6.55473995 10.73587778
0.00028347 0.00001926 -0.00012337
0.00143198 0.00031420 0.00577789
1.34506473 -13.35308879 15.55142425
-0.00102639 0.00036788 0.00182022
-0.00471310 -0.00202518 -0.00226680
3.34992037 -12.27256417 17.27915036
-0.00076519 0.00078521 -0.00033316
0.00541765 -0.00247831 -0.00259708
-3.49842973 -2.65735705 -9.79365709
-0.00022432 -0.00029704 0.00062726
-0.00194723 -0.01208309 0.00321831
-1.92178428 -1.24367423 -11.82022566
-0.00060673 -0.00060646 0.00001681
-0.02173533 0.00944116 0.01308097
14.98645469 -8.01327771 -11.32838994
-0.00098043 -0.00075305 -0.00125141
0.00125482 0.00789226 -0.00996554
17.04568518 -7.06587359 -9.21382451
0.00013369 0.00004058 0.00037334
-0.01297800 0.00098968 -0.00401488
7.63938726 -3.29118548 5.63430299
0.00105480 -0.00106847 0.00004768
-0.00845748 0.00220219 -0.01373743
10.52865240 -4.18321128 5.05173418
-0.00014552 -0.00039663 0.00021544
-0.03146672 0.01645394 0.01516585
-20.91315368 0.89920053 22.92618049
0.00057733 -0.00047745 -0.00009837
-0.00205458 0.00131267 -0.00494185
-23.22789968 0.78817134 24.74951740
-0.00051455 0.00009936 -0.00069084
-0.02029470 -0.01218098 0.00802500
25.94700334 -2.53944174 -7.88299513
0.00078214 -0.00032103 0.00054643
-0.01212209 0.00265919 0.01415208
23.62090753 -0.72987395 -7.39338776
-0.00022237 -0.00005485 -0.00030605
0.00507906 -0.00290722 -0.00071946
10.90655051 -12.67284592 -8.64549303
-0.00076258 0.00109490 0.00008785
0.01614938 0.01185557 -0.02232605
13.06488256 -10.55195081 -9.42383114
0.00057225 -0.00069231 0.00013990
-0.01901531 -0.02123118 -0.00848326
-5.55358713 -10.42635944 18.17624696
0.00053206 -0.00012216 -0.00004250
-0.01344548 0.00469070 0.01608041
-5.88485050 -9.90858963 15.16986545
0.00104724 0.00020549 -0.00075409
0.02493091 -0.00861246 0.03477900
9.18246043 1.11170074 -31.73916121
-0.00055340 -0.00022147 0.00050974
-0.00910006 0.00753123 0.00954433
6.88755402 2.78379151 -32.18477374
0.00037740 0.00031920 -0.00123161
-0.01148798 0.00379259 -0.00092821
11.40443673 17.68483581 12.96528511
0.00006462 -0.00011421 -0.00086788
-0.00369468 0.00888999 0.00834470
11.95402799 15.41663000 14.40213023
0.00059514 -0.00048034 -0.00036630
0.01505443 -0.02115432 0.00522966
31.08054620 5.51360473 -7.87404630
0.00023314 0.00014078 -0.00026110
-0.00285697 -0.01550239 -0.00725405
28.75394492 7.37132302 -7.63096233
-0.00124454 0.00016704 -0.00064447
0.03200452 -0.00135691 0.00272340
-8.37079404 4.81710992 5.66390927
0.00013463 -0.00003571 0.00004023
0.00654106 0.00196049 0.00006321
-10.73191513 10.12397616 3.34795720
-0.00001736 -0.00005526 -0.00006351
-0.00767533 -0.00109569 0.00574262
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08291345
0.32890897
438.25471055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3031143671 (a.u.)
total exchange computation time: 2.7823541164 s
-153.9060631995
-931.40658892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3033814241 (a.u.)
total exchange computation time: 2.7823948860 s
-153.9045450264
Anderson extrapolation: theta=1.3618244726 (1.3618244726)
-931.40681229
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3036792890 (a.u.)
total exchange computation time: 2.7813949585 s
-153.9029288544
Anderson extrapolation: theta=0.0553895597 (0.0553895597)
-931.40694726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3036375359 (a.u.)
total exchange computation time: 2.7831048965 s
-153.9032819967
Anderson extrapolation: theta=2.0774479748 (2.0000000000)
-931.40695277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3035296805 (a.u.)
total exchange computation time: 2.7841720581 s
-153.9041123110
Anderson extrapolation: theta=0.2728782232 (0.2728782232)
-931.40695889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3034918507 (a.u.)
total exchange computation time: 2.7836380005 s
-153.9043415652
Anderson extrapolation: theta=1.6026292274 (1.6026292274)
-931.40696009
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3034435221 (a.u.)
total exchange computation time: 2.7824170589 s
-153.9045629783
Anderson extrapolation: theta=0.3342863294 (0.3342863294)
-931.40696119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.239 s
total exchange = -52.3034409891 (a.u.)
total exchange computation time: 2.7823541164 s
-153.9044947397
Anderson extrapolation: theta=1.0941624793 (1.0941624793)
-931.40696143
-122.903145 32.002602 -36.207813
566.905179 1066.928342 -418.180600
444.002034 1098.930945 -454.388413
1269.352535
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0585029070
ExchangeOperator: pair fraction: ispin=0: 0.1432341806
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3034484702 (a.u.)
total exchange computation time: 2.7827568054 s
677.65096290
-1081.63717320
90.03358975
-390.51995247
-174.63094000
77.13516328
551.60419304
0.00000000
-931.40696150
5.31917855 -31.36311270 -3.77849254
-0.00043858 -0.00015346 0.00001979
-0.02579700 0.00451325 0.03325567
-11.86353921 -0.90910802 -11.80462593
0.00004913 0.00020127 0.00010075
0.00196564 -0.01707523 0.01088889
-37.86278038 2.42627989 3.17540130
0.00005248 0.00023719 -0.00016913
0.01517810 0.03211040 0.00375000
-10.03681046 -2.62815203 2.57683381
-0.00013791 0.00012065 0.00035289
0.00563791 -0.00352466 -0.00022118
0.92152286 -0.41977288 8.93281419
0.00024044 -0.00024718 0.00004223
0.00526568 0.00641668 -0.00296307
-32.37990153 2.70044185 1.80612404
0.00007061 -0.00027394 -0.00000775
-0.02898428 -0.00618230 -0.01095323
14.18214226 13.89244675 -14.58911277
0.00029091 0.00028011 -0.00015802
-0.07039329 0.00410799 -0.00321117
-4.39861207 7.00563713 3.93642772
-0.00035569 -0.00004616 -0.00024075
-0.01250614 0.01019791 0.05464470
5.95505285 16.64213988 -8.25839407
0.00016109 -0.00011611 0.00044010
-0.01524421 -0.00431052 0.00512161
6.67170809 7.33439887 -20.95944559
-0.00014500 0.00018151 0.00011131
0.02819358 0.01272899 -0.02719318
23.32087263 17.07998158 -2.04750777
0.00008111 -0.00008025 0.00009560
0.02153519 -0.00485450 -0.01403484
1.43874752 12.93445859 -20.84597110
0.00006908 -0.00002850 0.00008572
0.01707327 0.01123565 0.01257161
10.43747149 -3.51031268 -1.73816257
-0.00010281 -0.00021378 -0.00030850
0.00878444 0.00379447 0.00073705
-17.74553315 -2.73558316 4.78416438
0.00015004 -0.00025636 0.00006122
0.00426185 0.00098096 -0.00915433
-15.20081679 0.04584307 18.47108589
0.00021003 -0.00020670 -0.00026378
0.00416052 -0.00601086 0.00925798
2.42024225 2.84187011 -2.77847662
-0.00061579 0.00012785 0.00021086
0.01178025 -0.00403839 -0.01788623
23.49854353 -7.97965223 -9.78573842
0.00022933 -0.00010019 -0.00012670
0.02600927 0.01513294 0.02305543
1.64966029 -7.82615661 6.77333030
0.00030516 0.00012687 0.00007788
-0.00480528 0.00169751 0.02255253
-3.45489060 -0.86612942 -17.91925876
0.00041874 0.00033982 0.00025145
-0.00774615 -0.03734650 -0.00014900
2.96845985 4.22896042 -10.45939507
-0.00045956 -0.00008494 0.00032788
-0.00475260 0.00725430 -0.01947925
-2.63101716 16.87987129 13.98853480
0.00005088 0.00015822 0.00014638
0.00356000 0.00163801 0.03740531
-2.24617625 2.14159893 -6.99562325
0.00006877 -0.00001189 0.00009568
-0.02168714 -0.02577989 -0.04275513
-6.82135372 -2.05235301 -4.56892460
-0.00019385 -0.00013674 -0.00012647
-0.04456614 -0.00124577 0.02147372
0.35809413 28.34246763 7.34446314
-0.00005550 0.00002498 -0.00020998
-0.03139677 -0.01826255 -0.04900110
10.16464144 -9.16714548 -1.62426346
0.00005560 -0.00009139 -0.00029705
0.00588121 -0.00632437 0.01704324
-6.98163076 0.65510673 7.78141581
-0.00025422 0.00043429 0.00025993
-0.03051004 0.01427786 -0.04747882
18.88872123 11.60792043 6.45020034
0.00023680 -0.00004307 0.00031074
0.01325930 0.03149410 0.03125763
-3.40919595 -3.73460574 -23.22421329
-0.00008676 0.00027056 0.00011751
-0.00047752 0.05430459 0.00347554
-13.64163251 8.36284951 8.52720686
0.00003848 0.00007116 0.00021334
0.01091331 0.00540610 -0.00040654
-12.30051385 7.31137691 -2.94567720
-0.00015818 -0.00010879 -0.00018895
-0.00043459 0.00606818 0.01161532
-3.59718027 -16.49771330 20.56357069
-0.00031372 -0.00022826 0.00013923
0.05591094 0.03430721 0.02076601
-3.65514838 7.15699887 -7.84429676
-0.00035109 0.00027163 -0.00011275
0.00065678 0.01627936 0.00572205
-20.65466019 29.74535184 1.30217401
0.00022786 0.00014560 -0.00009164
-0.01085565 0.00514267 0.00471441
9.88401016 3.10604945 7.38459292
-0.00009103 -0.00004441 -0.00019399
-0.03877134 0.02138085 0.00472708
6.42427119 14.66752060 -12.83992689
0.00011972 0.00025562 0.00035639
0.00250205 -0.07497490 0.02254762
14.15580420 3.61187395 -2.70579197
-0.00018624 -0.00031084 0.00013887
-0.04472461 0.02042831 -0.01091039
-6.19143715 10.92681209 -0.31785795
0.00029737 -0.00030097 0.00000186
-0.00643930 -0.01471918 -0.01463347
6.25687854 13.45504746 3.15599907
0.00002176 0.00054162 0.00012575
0.04618457 -0.01537257 0.00552710
21.81320294 -12.13591694 -11.79148112
-0.00012661 0.00003066 0.00004667
0.01843206 -0.03305802 0.00868892
16.87787355 -6.30562957 3.38160546
0.00028438 -0.00007769 -0.00011679
0.00967330 0.02462689 -0.01955443
15.38602585 7.01352697 9.61373593
0.00004442 -0.00023994 -0.00030674
0.00212809 -0.00594626 -0.01061765
3.00676606 -13.71173238 16.17326572
0.00001225 -0.00004407 -0.00045814
-0.00045568 0.00876154 0.00774540
-3.59588641 -1.20444912 -10.88984294
0.00005565 -0.00023770 -0.00015619
0.01976516 0.01125454 -0.00891767
15.32940054 -7.77917187 -9.53482607
-0.00006082 0.00017039 0.00006275
0.00109854 -0.00923709 0.00467294
9.23129683 -3.78663346 6.38142413
0.00026944 -0.00049821 0.00010946
0.02732929 -0.01857841 0.01460953
-21.65444209 1.57917073 24.43275899
-0.00017681 0.00006310 -0.00001611
0.02729487 0.01562948 -0.00230058
24.88807849 -1.74766233 -6.55371632
-0.00005193 -0.00000850 -0.00019184
0.00449827 -0.00387256 -0.01270693
11.93170705 -11.92668042 -10.07904533
0.00031906 -0.00017901 -0.00013138
-0.00006866 0.00615569 0.03331975
-4.70043878 -10.48915609 16.59457859
0.00006442 -0.00036587 0.00007555
-0.00904630 0.00197564 -0.04691439
8.23024280 2.56021127 -30.99372489
0.00010312 0.00021591 -0.00047328
0.00861198 -0.01751775 -0.00170804
11.00727366 16.91163594 14.59004264
0.00012421 -0.00022788 -0.00016004
-0.00407244 0.02184676 -0.01462462
30.64154604 7.22167953 -7.38958492
0.00007028 -0.00010242 0.00033298
-0.04476739 0.02642173 -0.00963967
5.46926333 -30.16836368 -5.10403940
-0.00036061 0.00002452 -0.00041838
0.01015995 0.01421458 -0.02785919
4.12548027 -30.41898738 -2.67324243
0.00047267 0.00066876 0.00068633
0.01111691 -0.01674545 -0.00599836
-12.63162538 -1.92052423 -13.18152606
0.00037985 -0.00022529 0.00057204
0.00722662 0.00091741 0.00131193
-11.77295919 0.77564570 -12.48510227
-0.00039639 -0.00068444 -0.00098381
-0.00006380 0.00945018 -0.01719809
-37.84637982 4.33025050 2.75514118
0.00020425 0.00036746 0.00055474
-0.01651193 -0.03995428 0.00432039
-39.52114566 1.71139126 3.46226444
0.00043060 -0.00036245 0.00007971
-0.00219362 0.01130729 -0.00559344
-10.19367840 -3.44486673 0.92319366
-0.00100530 0.00055754 0.00042814
-0.00151921 0.01030593 0.00448127
-8.62046942 -3.42630749 3.38108914
-0.00083567 0.00063782 -0.00102988
0.01421111 -0.00262376 0.00014114
0.66667076 -0.66156288 7.16114084
0.00102180 -0.00024040 -0.00118801
-0.00548851 -0.01163414 -0.01299434
1.80018700 1.17888861 8.85926119
-0.00048535 -0.00027739 0.00010471
-0.00075823 0.00041740 0.01490303
-32.78091123 0.88730063 1.90844154
-0.00053009 0.00070601 -0.00072008
0.01140051 0.00106496 0.00937267
-34.09838903 3.36200608 1.52296303
-0.00051977 0.00017871 -0.00061976
0.01605450 -0.00079038 0.00755161
12.63174589 12.98987441 -15.35786618
0.00036898 0.00013496 -0.00004477
0.04751317 0.01850851 0.01743426
15.53032618 12.73694152 -14.56439538
-0.00039451 -0.00018681 -0.00046789
0.02537685 -0.02625564 -0.01718662
-4.02665976 8.77175803 4.34096658
-0.00054086 -0.00031401 0.00020433
-0.00442632 -0.00240907 0.00837767
-3.79463882 6.84591468 2.32019134
-0.00068016 -0.00112068 0.00045287
0.01840990 -0.01455023 -0.05600331
6.16309031 15.72440455 -9.87654249
0.00031895 -0.00030800 -0.00043819
0.00352692 0.00611804 0.00045795
7.65131528 17.04404608 -7.70425317
0.00040763 0.00007546 0.00023676
0.00830733 -0.00431565 -0.00219584
7.58611359 7.33148009 -22.66880017
-0.00043296 -0.00007085 0.00013049
-0.01434712 -0.00965242 0.02323175
7.77187642 8.58119897 -20.09604898
-0.00040320 0.00068597 -0.00090269
-0.00684482 -0.01282343 0.00310438
21.57123084 17.47616036 -2.40184804
-0.00047574 -0.00074331 0.00065295
-0.00661469 0.00197775 0.00779403
24.26343800 17.78949753 -3.46429999
-0.00098859 -0.00008498 0.00013899
-0.00411801 0.00293257 0.00403832
1.03228672 11.18145570 -20.88716706
-0.00055135 -0.00019163 0.00112269
-0.00976150 -0.01611099 -0.00782543
0.72192776 13.88199270 -22.20196416
0.00037502 0.00028020 0.00040524
-0.00632311 0.00231085 -0.00837381
10.01768051 -5.25561930 -1.73281182
0.00119927 0.00126259 -0.00008641
-0.00349039 -0.02574370 -0.00112087
9.94510810 -2.92326431 -3.35995833
0.00091975 -0.00046299 -0.00062927
-0.01154272 0.00820647 -0.01218677
-18.49377728 -4.26336844 5.39583366
0.00066562 0.00013515 0.00077553
-0.01090520 -0.01386190 0.01646192
-17.53996148 -3.23458963 3.04816863
-0.00085378 0.00014059 -0.00045904
0.00249261 0.00626261 -0.00800481
-15.37001003 0.50736790 16.73854002
0.00013680 0.00049655 -0.00018053
0.00056795 0.00470906 -0.01635128
-13.83120971 1.06668322 19.08401719
-0.00011454 0.00042180 0.00065161
-0.00127896 0.00320247 0.00229398
3.14710191 4.07903804 -3.91524675
0.00006092 0.00077452 0.00083194
-0.00874904 0.00954490 0.00684190
3.45915965 1.42370888 -3.35186850
0.00084616 0.00073639 -0.00050897
-0.00479873 -0.00374297 0.01061716
23.39021729 -9.67733670 -10.42659888
0.00013305 -0.00083334 -0.00046630
-0.01126445 -0.01730298 -0.00434768
25.01794324 -7.94978255 -8.70645490
0.00004762 0.00029574 -0.00046910
-0.01494977 0.00579139 -0.01310874
2.37411730 -9.18265203 5.77989580
-0.00022426 0.00019452 0.00023309
0.00099985 0.00633813 0.00689028
1.95652980 -8.13692146 8.61269989
-0.00091579 0.00062869 0.00073333
0.00175692 0.00637217 -0.03453076
-3.34073689 -2.75597417 -18.00347053
0.00033845 0.00018735 -0.00032826
-0.00277233 0.03066133 0.00316233
-5.04912256 -0.57378779 -16.98466736
0.00047635 -0.00046203 0.00027439
0.01141226 0.00396505 -0.00062052
2.07803255 4.91464612 -11.95785440
0.00035242 0.00074092 -0.00093739
0.00773025 -0.00528016 0.01142931
1.72757863 4.34921101 -9.14414550
-0.00013607 0.00039002 0.00083339
-0.00344440 -0.00427652 0.00543919
-1.08369944 15.96899560 13.59076539
-0.00031469 -0.00137918 0.00073666
0.00989512 -0.00933199 -0.01793038
-2.37901382 17.03805633 15.83178349
-0.00020044 -0.00039744 -0.00058143
-0.01502774 0.00115940 -0.01907917
-2.08549842 1.33081750 -5.41275440
-0.00068456 0.00073756 0.00034016
0.00229813 -0.00549444 0.01842192
-3.12860858 0.79865347 -8.16848870
-0.00050847 0.00030383 -0.00001730
0.02257503 0.03388796 0.01871715
-8.44171287 -3.07427435 -4.33916602
-0.00013745 0.00040691 0.00075786
0.03694018 0.01777846 -0.00775818
-7.37694417 -0.38015302 -3.91920167
-0.00022860 0.00052640 -0.00004705
0.00918118 -0.01270966 -0.01192453
1.32985366 28.20149349 5.70644440
0.00017999 0.00014101 0.00066338
-0.01950199 0.00561734 0.02748520
-1.52466767 28.08943385 6.72352913
-0.00006079 -0.00027984 0.00058014
0.05501348 0.01152906 0.01437559
8.38250602 -9.41104600 -1.94247424
0.00049331 -0.00015920 0.00017344
-0.00750616 0.00366150 -0.00589975
10.39355886 -9.67147965 0.17606122
0.00113048 0.00076512 0.00043329
0.00381210 0.00484154 -0.01732519
-5.87399905 0.38078542 9.13623312
-0.00037935 -0.00068522 -0.00063632
0.01538329 -0.01764059 0.03344033
-8.59789019 -0.20131708 7.99341692
0.00042562 -0.00002447 0.00006779
0.01356607 0.00079534 0.01143301
19.50272762 11.28771161 8.22355179
-0.00011055 -0.00056675 -0.00025650
-0.00371666 -0.00841446 -0.02737803
19.62805705 13.33942058 6.22294112
0.00028202 -0.00025443 0.00046711
-0.00907710 -0.02718972 -0.00799539
-2.81458213 -1.98637638 -22.69783991
-0.00085160 0.00006883 -0.00072785
-0.00583591 -0.04074462 -0.00029400
-4.83556309 -3.12837816 -24.26866450
-0.00040750 0.00134510 -0.00051863
-0.00303573 -0.01189304 -0.00709826
-12.46689746 9.10293044 9.73703182
-0.00008844 -0.00023271 0.00069820
-0.00344046 -0.00259640 0.00772515
-12.85638106 9.01336853 6.99676352
0.00028851 0.00048925 0.00032613
-0.00564875 -0.00426586 -0.01013135
-13.08440988 7.43660824 -4.66583976
-0.00097068 0.00035808 -0.00048796
0.00290335 -0.00700577 0.00166782
-11.95327611 9.06444496 -2.55090858
-0.00090953 -0.00087263 -0.00048858
0.00576761 0.00328820 0.00279099
-5.04240055 -17.23485671 19.90000082
-0.00077991 0.00016525 0.00032919
-0.04075085 -0.02464489 -0.02092536
-2.24881147 -16.37986609 19.32247653
-0.00030346 0.00110349 -0.00021668
-0.01114726 -0.00516616 0.00675684
-3.31030776 5.46642067 -7.24258585
0.00063136 0.00010793 -0.00037151
-0.00157779 -0.00755476 0.00295856
-4.28450998 8.25108120 -6.44217512
-0.00140830 0.00025881 0.00138325
0.00896252 -0.00733039 -0.01846952
-21.17394296 28.03172948 0.97200793
-0.00009444 0.00026058 0.00140215
-0.00035186 -0.00443703 -0.00180703
-18.87718100 29.83801450 0.89665734
-0.00129452 0.00075601 -0.00070890
0.00874735 -0.00421933 0.00230629
8.22901648 2.67858223 6.47044369
0.00024556 -0.00007785 -0.00006700
0.03607350 0.00990318 0.00824870
9.50475548 4.71963622 8.32779245
0.00066141 0.00081510 0.00114807
0.00040491 -0.01916803 -0.01790555
7.33229624 15.87040823 -13.70536711
0.00024459 0.00072679 0.00182484
0.02866969 0.04587726 -0.03380563
7.44296427 13.10830294 -13.23641752
0.00172182 0.00017698 -0.00042473
-0.02544156 0.02508834 0.00958499
12.91764588 5.03972130 -3.08543534
-0.00011893 -0.00068433 0.00060054
0.02559741 -0.02108902 -0.00113219
13.09360364 2.85270292 -1.37223963
0.00106524 0.00001472 -0.00047031
0.01861730 0.00241398 0.00737865
-4.85154803 9.71791483 -0.71840922
-0.00027528 0.00093679 -0.00103092
-0.00882929 0.00125699 0.00394698
-7.76946602 9.92039526 -0.42460579
0.00053455 -0.00042225 0.00031926
0.02101296 0.01358181 0.00838860
4.86880892 13.22378401 2.03244715
0.00086787 0.00014554 -0.00032784
-0.01565496 -0.00702068 -0.01041285
7.68642640 12.26552949 2.70808212
0.00072270 -0.00048877 -0.00000358
-0.03113708 0.02510718 0.01157034
21.23563919 -13.13227676 -10.31124577
0.00019886 -0.00017471 -0.00084199
-0.00202608 0.00846720 -0.01623839
22.81399810 -13.39556399 -12.86718031
0.00052619 0.00070649 -0.00031439
-0.02693678 0.02042367 0.01360820
17.51732400 -5.72198586 1.73339035
-0.00069887 0.00140678 -0.00113000
-0.00142572 0.00102747 0.01032319
16.36594183 -7.97190957 2.95809555
-0.00023192 0.00065861 0.00059839
-0.00779773 -0.02010609 0.00324779
14.40239143 8.20110437 10.58194609
0.00046632 -0.00042562 -0.00117636
-0.00696339 0.00316025 0.00437072
16.74449747 6.55503855 10.73420435
0.00028631 0.00002149 -0.00010180
-0.00004179 0.00077295 0.00477877
1.32952443 -13.34763264 15.57865809
-0.00104278 0.00035619 0.00181008
-0.00330797 -0.00369500 -0.00269678
3.33860854 -12.26086193 17.27407333
-0.00074082 0.00076853 -0.00034717
0.00651338 -0.00568838 -0.00425756
-3.50185426 -2.66218293 -9.78414951
-0.00023186 -0.00033993 0.00063506
-0.00173988 -0.00891021 0.00059845
-1.93155127 -1.25248187 -11.81957272
-0.00068897 -0.00056831 0.00006694
-0.01852203 0.00923621 0.01145746
14.97178662 -8.02433158 -11.34746646
-0.00096996 -0.00071716 -0.00127233
0.00387329 0.00967277 -0.00027456
17.04729284 -7.06523458 -9.20834747
0.00007900 0.00004444 0.00035456
-0.01379195 0.00090139 -0.00517588
7.65495004 -3.30714501 5.63459724
0.00100934 -0.00105599 -0.00001284
-0.01379409 0.00390571 -0.01588986
10.52550540 -4.18865657 5.05543048
-0.00026975 -0.00033084 0.00027485
-0.02934485 0.01575315 0.01391789
-20.90455668 0.89207898 22.92455350
0.00056494 -0.00046828 -0.00011080
-0.00401137 0.00317623 -0.00114098
-23.23623981 0.78928847 24.73940078
-0.00059417 0.00005123 -0.00065868
-0.01868175 -0.01138100 0.00771652
25.95836403 -2.54417571 -7.87436508
0.00073095 -0.00030925 0.00060345
-0.01293626 0.00310861 0.01376354
23.61772767 -0.73078584 -7.39800058
-0.00019931 -0.00006840 -0.00030903
0.00620488 -0.00372459 -0.00073670
10.89560669 -12.65605919 -8.64485945
-0.00069471 0.00114241 -0.00000529
0.01707400 0.01140170 -0.02326540
13.07288355 -10.56298606 -9.42199267
0.00049589 -0.00077682 0.00010544
-0.01835998 -0.02013728 -0.00838382
-5.54601820 -10.42804816 18.17610224
0.00047344 -0.00010172 0.00002637
-0.01525211 0.00531636 0.01763092
-5.86837799 -9.90577121 15.15961985
0.00114728 0.00016996 -0.00061000
0.02404336 -0.00877757 0.03575283
9.17388055 1.10860945 -31.73122257
-0.00058719 -0.00019367 0.00054608
-0.00743829 0.00607866 0.00824202
6.89286295 2.78869566 -32.20327633
0.00033421 0.00033407 -0.00123155
-0.00965141 0.00348950 0.00095779
11.40529285 17.68339501 12.95252264
0.00004779 -0.00008212 -0.00082518
-0.00454321 0.00682212 0.01255671
11.96341642 15.40877667 14.39679596
0.00065214 -0.00055867 -0.00034430
0.01284557 -0.01718803 0.00554032
31.08395578 5.51524138 -7.87818503
0.00022132 0.00007714 -0.00029048
-0.00292952 -0.01565155 -0.00713042
28.73625750 7.37378711 -7.64054598
-0.00109853 0.00015967 -0.00063069
0.03946835 -0.00225093 0.00402268
-8.36875697 4.81657950 5.66451296
0.00013695 -0.00003504 0.00004025
0.00640102 0.00177738 0.00000896
-10.73218893 10.12314528 3.34701451
-0.00001912 -0.00005549 -0.00006216
-0.00750895 -0.00080436 0.00590820
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08275474
0.32420676
431.98925477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3032698945 (a.u.)
total exchange computation time: 2.7530112267 s
-153.9060392308
-931.40136620
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3035211455 (a.u.)
total exchange computation time: 2.7564098835 s
-153.9047037954
Anderson extrapolation: theta=1.3731099115 (1.3731099115)
-931.40160262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3038059805 (a.u.)
total exchange computation time: 2.7529871464 s
-153.9032983090
Anderson extrapolation: theta=0.0600028740 (0.0600028740)
-931.40174930
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3037705584 (a.u.)
total exchange computation time: 2.7540690899 s
-153.9036349304
Anderson extrapolation: theta=2.1456476264 (2.0000000000)
-931.40175655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3036811685 (a.u.)
total exchange computation time: 2.7536888123 s
-153.9044010816
Anderson extrapolation: theta=0.3033339317 (0.3033339317)
-931.40176585
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3036520397 (a.u.)
total exchange computation time: 2.7547500134 s
-153.9045977788
Anderson extrapolation: theta=1.3430910639 (1.3430910639)
-931.40176818
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3036283590 (a.u.)
total exchange computation time: 2.7538859844 s
-153.9046988461
Anderson extrapolation: theta=0.3760915600 (0.3760915600)
-931.40177059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3036356939 (a.u.)
total exchange computation time: 2.7559900284 s
-153.9045805623
Anderson extrapolation: theta=0.9837432990 (0.9837432990)
-931.40177139
-122.937609 32.013863 -36.251303
566.909770 1066.965808 -418.181282
443.972161 1098.979671 -454.432585
1269.400083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3036548695 (a.u.)
total exchange computation time: 2.7545239925 s
677.66982267
-1081.66776504
90.02914982
-390.49666174
-174.63266283
77.15265403
551.60419304
0.00000000
-931.40177199
5.31250032 -31.36539726 -3.77806738
-0.00045181 -0.00015027 0.00003627
-0.02566207 0.00789747 0.03083919
-11.86279472 -0.90615479 -11.80307266
0.00005016 0.00019186 0.00010668
0.00203901 -0.01952953 0.01218771
-37.86193467 2.42996156 3.17287881
0.00006054 0.00025354 -0.00016719
0.01615841 0.03147126 0.00380560
-10.03885740 -2.62635581 2.58212627
-0.00013725 0.00012017 0.00035165
-0.00304495 0.00162188 -0.00460623
0.92514975 -0.42345588 8.93343615
0.00024248 -0.00024483 0.00003840
0.00266625 0.00272940 -0.01189652
-32.37895420 2.69630886 1.80596556
0.00005473 -0.00027519 -0.00001371
-0.03275922 0.00131346 -0.01223393
14.18623442 13.89666422 -14.59149550
0.00025470 0.00028227 -0.00015954
-0.07040796 0.00428641 -0.00266901
-4.40399572 7.00498409 3.93302721
-0.00036280 -0.00004110 -0.00021117
-0.01514119 0.00946535 0.06038395
5.95741039 16.64038154 -8.25177279
0.00015375 -0.00011883 0.00044175
-0.01329925 -0.00626867 0.00129706
6.66964178 7.33717057 -20.95788080
-0.00013081 0.00018783 0.00009724
0.02701938 0.01185050 -0.02753837
23.32217241 17.07875910 -2.04612786
0.00009100 -0.00008306 0.00008914
0.01691678 -0.00607114 -0.01110749
1.43984961 12.93407438 -20.84463681
0.00007800 -0.00002352 0.00009258
0.01761917 0.00814250 0.01409134
10.43596325 -3.51350474 -1.74278716
-0.00009737 -0.00020806 -0.00030803
0.01235630 0.01843541 0.00108617
-17.74326618 -2.73942485 4.78504740
0.00015253 -0.00025538 0.00005581
0.00542253 0.00286130 -0.01188391
-15.19765028 0.04271944 18.46716495
0.00021271 -0.00020922 -0.00025896
0.00625634 -0.00378992 0.00948324
2.41105085 2.84377234 -2.77538279
-0.00060869 0.00012548 0.00020088
0.01584507 -0.00520363 -0.02090934
23.50208384 -7.98109673 -9.78754994
0.00024190 -0.00009383 -0.00011581
0.02288090 0.00958690 0.01929024
1.65421919 -7.82424696 6.77458545
0.00030226 0.00012840 0.00009024
-0.00647994 0.00425359 0.02552615
-3.44863944 -0.86117623 -17.91548763
0.00041483 0.00032027 0.00025127
-0.00743978 -0.03865614 -0.00052307
2.96154804 4.22771423 -10.45455195
-0.00046247 -0.00008073 0.00031696
-0.00654599 0.00914911 -0.02299423
-2.63024016 16.88225084 13.99087475
0.00005310 0.00015837 0.00016415
0.00504801 -0.00102913 0.03169467
-2.24522829 2.14132114 -6.99435303
0.00005753 -0.00002490 0.00007331
-0.02204489 -0.02480588 -0.04422612
-6.82443330 -2.05440899 -4.57073880
-0.00021667 -0.00013620 -0.00011498
-0.04420749 0.00336912 0.02321537
0.35714048 28.34277185 7.34112440
-0.00007176 0.00001575 -0.00023392
-0.03180530 -0.01761858 -0.04409168
10.16549820 -9.16854073 -1.62865349
0.00005985 -0.00009461 -0.00028734
0.01061321 -0.00621309 0.02071880
-6.98556176 0.66167617 7.78513162
-0.00026998 0.00044216 0.00023474
-0.03076226 0.01631264 -0.05048821
18.89232438 11.60739583 6.45498197
0.00024320 -0.00002702 0.00032612
0.01161275 0.03094842 0.02856155
-3.41049924 -3.73033791 -23.22243729
-0.00008864 0.00029825 0.00011808
-0.00682116 0.05339901 -0.00123836
-13.64101324 8.36393781 8.53040544
0.00004434 0.00007409 0.00021310
0.01187004 0.00597218 -0.00055558
-12.30288828 7.30976840 -2.94846659
-0.00015914 -0.00010724 -0.00018406
-0.00328773 -0.00004022 0.00740279
-3.60167036 -16.50100489 20.56573920
-0.00028503 -0.00021086 0.00014943
0.05563447 0.03337834 0.01892767
-3.66041220 7.16113609 -7.84596596
-0.00035139 0.00028062 -0.00010807
-0.00182419 0.01870521 0.01246281
-20.65128423 29.74755562 1.30081753
0.00021984 0.00014872 -0.00008851
-0.02031056 0.00698924 0.00748351
9.88249522 3.10546581 7.38170126
-0.00011049 -0.00003208 -0.00019041
-0.03690315 0.02657172 0.00920484
6.42607659 14.67106569 -12.83449410
0.00012162 0.00021555 0.00036777
0.00489426 -0.08085554 0.02170633
14.15283810 3.60729018 -2.70375106
-0.00020766 -0.00029992 0.00013192
-0.03858523 0.02200857 -0.01608461
-6.18700143 10.92224079 -0.31788647
0.00029295 -0.00030719 -0.00000528
-0.01075257 -0.00946518 -0.01312609
6.25738304 13.46311243 3.15790672
0.00004705 0.00053274 0.00012851
0.05218243 -0.01915998 0.00520588
21.81137493 -12.13558454 -11.79074753
-0.00011661 0.00001428 0.00005005
0.02044444 -0.03065945 0.00446097
16.88217655 -6.30669985 3.37977823
0.00029024 -0.00006287 -0.00012776
0.01310130 0.03297973 -0.02313386
15.38670040 7.00990494 9.60909388
0.00004675 -0.00024412 -0.00031275
0.00690390 -0.01030943 -0.01274428
3.00694798 -13.71235960 16.16642346
0.00001125 -0.00003834 -0.00045369
-0.00342042 0.01352605 0.00955250
-3.59497544 -1.20797115 -10.89222025
0.00006475 -0.00023269 -0.00015962
0.01560778 0.00819718 -0.00438519
15.32849248 -7.77665171 -9.53386676
-0.00006073 0.00016519 0.00006307
-0.00075890 -0.01095710 -0.00342860
9.23544381 -3.79417831 6.38312232
0.00028409 -0.00050796 0.00011797
0.02966792 -0.01933585 0.01849681
-21.65698889 1.58017750 24.43250849
-0.00016286 0.00007041 -0.00001809
0.02691486 0.01281083 -0.00542369
24.88731692 -1.74780484 -6.55664299
-0.00004974 -0.00001039 -0.00019816
0.00400216 -0.00346046 -0.01184178
11.93649267 -11.92934180 -10.08088745
0.00031857 -0.00017607 -0.00011416
-0.00184888 0.00526543 0.03363277
-4.69950740 -10.49463656 16.59553094
0.00006035 -0.00036502 0.00005117
-0.00678029 0.00135831 -0.04792218
8.23182288 2.56338239 -31.00083067
0.00010661 0.00020751 -0.00047435
0.00494336 -0.01514324 -0.00244936
11.00912116 16.90830203 14.58758559
0.00012298 -0.00021727 -0.00016860
-0.00072777 0.01940479 -0.01865182
30.64242753 7.22024510 -7.38462745
0.00004565 -0.00008866 0.00032755
-0.05101074 0.02708244 -0.01146465
5.46416546 -30.16756034 -5.11116878
-0.00032018 0.00007697 -0.00052545
0.00963242 0.01146306 -0.02455193
4.13291102 -30.40946914 -2.66313133
0.00051900 0.00059904 0.00065970
0.01156097 -0.01738232 -0.00703405
-12.62570621 -1.92387544 -13.17290521
0.00040800 -0.00022365 0.00057604
0.00655262 -0.00011697 0.00064679
-11.77890704 0.76566875 -12.50038641
-0.00039602 -0.00063888 -0.00105488
0.00024872 0.01285156 -0.01759273
-37.84382202 4.33453812 2.76359464
0.00013584 0.00020504 0.00057172
-0.01697843 -0.03955314 0.00399163
-39.51475386 1.70630095 3.46328871
0.00042056 -0.00031585 0.00005708
-0.00272324 0.01150510 -0.00548333
-10.20880450 -3.43618776 0.92975312
-0.00101170 0.00059863 0.00044407
-0.00161337 0.00980752 0.00331649
-8.63256898 -3.41682061 3.36564520
-0.00075996 0.00061733 -0.00101880
0.02285141 -0.00740763 0.00528261
0.68182956 -0.66552542 7.14292249
0.00100189 -0.00028568 -0.00122291
-0.00425889 -0.01053023 -0.00408769
1.79288348 1.17474049 8.86128855
-0.00048548 -0.00027016 0.00016582
0.00069437 0.00312119 0.01500847
-32.78851318 0.89792343 1.89792748
-0.00048532 0.00069870 -0.00068046
0.01051147 -0.00464510 0.01002373
-34.10569358 3.36466253 1.51389810
-0.00044467 0.00017259 -0.00058710
0.02070852 -0.00220844 0.00843590
12.63873654 12.99246591 -15.35800354
0.00056035 0.00021080 0.00002569
0.04616196 0.01861682 0.01705759
15.52518613 12.73333483 -14.57194033
-0.00028767 -0.00029499 -0.00053765
0.02692150 -0.02670071 -0.01696373
-4.03490829 8.76697410 4.34428823
-0.00055782 -0.00032231 0.00023626
-0.00387647 -0.00165728 0.00725244
-3.80427704 6.82865869 2.32526832
-0.00060082 -0.00117982 0.00021392
0.02042671 -0.01439982 -0.06096344
6.16798259 15.71997205 -9.88310123
0.00033216 -0.00027853 -0.00042741
0.00293990 0.00830465 0.00481647
7.65768435 17.04504574 -7.70076912
0.00043857 0.00005681 0.00022692
0.00683748 -0.00481564 -0.00262077
7.57917956 7.33012155 -22.66613095
-0.00049075 -0.00011060 0.00022355
-0.01394305 -0.00980495 0.02232045
7.76561860 8.59109551 -20.10949424
-0.00042935 0.00063549 -0.00088739
-0.00595311 -0.01188699 0.00438526
21.56389204 17.46507126 -2.39181498
-0.00049835 -0.00073586 0.00068566
-0.00445090 0.00167197 0.00821898
24.24848296 17.78831270 -3.46209139
-0.00100049 -0.00006964 0.00014867
-0.00170542 0.00457489 0.00070159
1.02371742 11.17808751 -20.87056648
-0.00059056 -0.00025145 0.00108988
-0.00943405 -0.01316904 -0.00823575
0.72735933 13.88626650 -22.19614219
0.00034735 0.00029001 0.00036865
-0.00722019 0.00249162 -0.00953567
10.03556254 -5.23746934 -1.73414237
0.00117774 0.00112775 -0.00009120
-0.00704642 -0.04026067 -0.00122020
9.95855071 -2.92995775 -3.36977084
0.00087235 -0.00042955 -0.00067936
-0.01166306 0.00816257 -0.01233384
-18.48412720 -4.26176593 5.40797099
0.00061971 0.00007482 0.00084274
-0.01156804 -0.01567093 0.01643902
-17.55269186 -3.23228890 3.04103770
-0.00084474 0.00016619 -0.00048619
0.00193449 0.00627096 -0.00528292
-15.36794059 0.51496047 16.73533105
0.00013970 0.00051555 -0.00024490
0.00085133 0.00459065 -0.01516034
-13.83296703 1.07310829 19.09386156
-0.00012496 0.00043100 0.00065807
-0.00382045 0.00130215 0.00086983
3.14774755 4.09094838 -3.90255795
0.00002248 0.00081131 0.00086287
-0.01006438 0.00846220 0.00829635
3.47170504 1.43464010 -3.35917766
0.00082133 0.00072525 -0.00046259
-0.00735705 -0.00171449 0.01208282
23.39186782 -9.69036694 -10.43372663
0.00008794 -0.00089253 -0.00047903
-0.01081498 -0.01167565 -0.00188139
25.01819948 -7.94516897 -8.71389306
-0.00000895 0.00031889 -0.00051958
-0.01274193 0.00554270 -0.01160471
2.37078399 -9.17954000 5.78360329
-0.00021756 0.00021601 0.00025934
0.00228244 0.00418151 0.00595883
1.94284674 -8.12729583 8.62264173
-0.00090795 0.00065398 0.00058831
0.00208017 0.00600878 -0.03645792
-3.33574509 -2.75222435 -18.00829748
0.00032784 0.00031349 -0.00031523
-0.00242354 0.03108515 0.00321587
-5.04162759 -0.58059668 -16.98057048
0.00052106 -0.00044439 0.00027249
0.01047185 0.00466608 -0.00030958
2.08355569 4.92559818 -11.97156500
0.00038669 0.00071478 -0.00087916
0.00904605 -0.00751752 0.01707492
1.72543202 4.35493025 -9.13147804
-0.00014908 0.00037330 0.00085106
-0.00292565 -0.00390852 0.00321248
-1.08811651 15.94802194 13.60126591
-0.00027764 -0.00141431 0.00066286
0.00824092 -0.00786697 -0.01819815
-2.38248090 17.03213025 15.82247743
-0.00026078 -0.00039055 -0.00064714
-0.01451054 0.00221491 -0.01308928
-2.09569646 1.34171254 -5.40708742
-0.00067525 0.00071364 0.00041732
0.00226012 -0.00621263 0.01934683
-3.13554387 0.80424942 -8.16817460
-0.00041518 0.00044177 0.00006012
0.02309213 0.03363459 0.01918012
-8.44264266 -3.06762588 -4.32803588
0.00001074 0.00047658 0.00072581
0.03560078 0.01632502 -0.00792841
-7.38009185 -0.37264643 -3.92027285
-0.00018865 0.00046827 -0.00009855
0.01037615 -0.01574769 -0.01328253
1.33195587 28.20378082 5.71723735
0.00010298 0.00016294 0.00076811
-0.01819287 0.00511422 0.02377801
-1.52389379 28.08558954 6.73267169
0.00016272 -0.00023308 0.00063662
0.05439832 0.01136237 0.01327223
8.38967569 -9.41332183 -1.94005338
0.00045572 -0.00014536 0.00014924
-0.01089347 0.00311605 -0.00594688
10.41063295 -9.65985454 0.18202973
0.00114343 0.00078571 0.00035507
0.00252594 0.00523917 -0.02096786
-5.87921793 0.36996650 9.12771305
-0.00030972 -0.00075858 -0.00049295
0.01869977 -0.01826996 0.03673940
-8.59109022 -0.20165970 7.99478416
0.00047511 -0.00002380 0.00011429
0.01066045 -0.00046708 0.01132541
19.50095552 11.27895245 8.21886541
-0.00012370 -0.00060108 -0.00036200
-0.00271940 -0.00838849 -0.02426651
19.63200915 13.33477103 6.22970274
0.00024601 -0.00036262 0.00043448
-0.00854769 -0.02577308 -0.00797419
-2.82753492 -1.98659246 -22.70876660
-0.00087012 -0.00009011 -0.00072480
-0.00323119 -0.03705939 0.00178384
-4.84176856 -3.10856611 -24.27666145
-0.00041260 0.00129043 -0.00054271
0.00053717 -0.01486854 -0.00468728
-12.46832951 9.09936024 9.74774147
-0.00010339 -0.00024379 0.00072794
-0.00387691 -0.00282637 0.00683709
-12.85222650 9.02057651 7.00134498
0.00026464 0.00047084 0.00028679
-0.00603407 -0.00474339 -0.00912540
-13.09888109 7.44176473 -4.67310804
-0.00095575 0.00032721 -0.00047608
0.00440380 -0.00810274 0.00414759
-11.96674229 9.05145628 -2.55815169
-0.00088236 -0.00084539 -0.00047287
0.00753332 0.01004417 0.00489524
-5.05534794 -17.23313311 19.90429751
-0.00094136 0.00006713 0.00024469
-0.03828182 -0.02338617 -0.02044088
-2.25370494 -16.36347205 19.31943341
-0.00035313 0.00108117 -0.00018636
-0.01316790 -0.00575847 0.00808188
-3.30088571 5.46780814 -7.24806790
0.00062376 0.00008047 -0.00036056
-0.00214158 -0.00588633 0.00240551
-4.30535988 8.25473869 -6.42199241
-0.00136537 0.00022032 0.00129474
0.01205107 -0.01151147 -0.02485582
-21.17537037 28.03550227 0.99298480
-0.00009615 0.00023843 0.00139361
-0.00048382 -0.00640628 -0.00237380
-18.89633073 29.84922535 0.88609451
-0.00123982 0.00073867 -0.00070418
0.01802856 -0.00426937 0.00000566
8.23380528 2.67771793 6.46969139
0.00038881 -0.00003656 -0.00003431
0.03404899 0.01030868 0.00775328
9.51468908 4.73127535 8.34446481
0.00066323 0.00072544 0.00106672
0.00048469 -0.02472350 -0.02191724
7.33684355 15.88271585 -13.67903038
0.00036374 0.00091777 0.00168556
0.02965929 0.04761017 -0.03437375
7.46801190 13.11172636 -13.24249472
0.00161073 0.00028806 -0.00038265
-0.02893608 0.02928980 0.01100985
12.91664624 5.02881005 -3.07646191
-0.00001766 -0.00076589 0.00059375
0.02397720 -0.01883169 -0.00219095
13.11015280 2.85299771 -1.37906816
0.00113168 0.00001684 -0.00042784
0.01390123 -0.00137579 0.01340964
-4.85594774 9.73200523 -0.73375203
-0.00030020 0.00093209 -0.00101709
-0.00336946 -0.00356058 0.00282297
-7.76080385 9.91447768 -0.41955989
0.00061796 -0.00036788 0.00035306
0.01981444 0.01303366 0.00815701
4.88134718 13.22575198 2.02721052
0.00079995 0.00011669 -0.00037277
-0.01759152 -0.00710323 -0.01158146
7.69631273 12.25896738 2.70838294
0.00058768 -0.00037830 0.00004694
-0.03495660 0.02896582 0.01316223
21.23855995 -13.13463790 -10.32437319
0.00018792 -0.00014502 -0.00090020
-0.00332931 0.00606605 -0.01225470
22.82106557 -13.38434073 -12.87147921
0.00041532 0.00078970 -0.00025789
-0.02733399 0.02030577 0.01405236
17.50679728 -5.70085270 1.71675666
-0.00070904 0.00140397 -0.00107623
-0.00355194 -0.00240440 0.01599962
16.36222411 -7.96264659 2.96717086
-0.00026613 0.00056660 0.00060721
-0.00894872 -0.02492909 0.00107395
14.40917283 8.19481690 10.56443464
0.00043141 -0.00040484 -0.00115165
-0.01012352 0.00701260 0.00772300
16.74879089 6.55538452 10.73282379
0.00028299 0.00002560 -0.00008442
-0.00158589 0.00123887 0.00372776
1.31378140 -13.34240294 15.60572665
-0.00105249 0.00033758 0.00179840
-0.00144767 -0.00541945 -0.00302043
3.32769589 -12.24950831 17.26873537
-0.00071182 0.00073927 -0.00036766
0.00767822 -0.00863553 -0.00577415
-3.50538543 -2.66755489 -9.77460524
-0.00023849 -0.00036965 0.00063193
-0.00150823 -0.00563690 -0.00213254
-1.94245341 -1.26072346 -11.81821758
-0.00075681 -0.00053117 0.00010969
-0.01468705 0.00894457 0.00947183
14.95735593 -8.03479264 -11.36655980
-0.00094910 -0.00067411 -0.00125557
0.00633826 0.01140429 0.00847618
17.04805524 -7.06454034 -9.20318764
0.00002151 0.00004814 0.00033126
-0.01435018 0.00091053 -0.00623263
7.66966743 -3.32286519 5.63391766
0.00094289 -0.00103685 -0.00008161
-0.01873492 0.00546272 -0.01777010
10.52055997 -4.19313641 5.05997975
-0.00038379 -0.00026843 0.00032795
-0.02647936 0.01479475 0.01207439
-20.89620552 0.88515209 22.92285659
0.00054463 -0.00045162 -0.00010810
-0.00592757 0.00497733 0.00246150
-23.24572488 0.78970811 24.72975708
-0.00066551 0.00000718 -0.00062804
-0.01623824 -0.01017977 0.00727879
25.96893190 -2.54871917 -7.86489151
0.00067699 -0.00029603 0.00065823
-0.01347699 0.00335935 0.01305068
23.61492808 -0.73192599 -7.40265855
-0.00017194 -0.00008508 -0.00031221
0.00719598 -0.00444169 -0.00082311
10.88570927 -12.63857370 -8.64565171
-0.00062373 0.00118758 -0.00010124
0.01766930 0.01070886 -0.02370534
13.07975934 -10.57525544 -9.42066800
0.00042318 -0.00085580 0.00007190
-0.01723425 -0.01852313 -0.00803357
-5.53938402 -10.42941105 18.17703805
0.00040847 -0.00007879 0.00009992
-0.01655048 0.00590822 0.01837384
-5.85043196 -9.90349075 15.15156541
0.00124262 0.00013428 -0.00046337
0.02262435 -0.00868972 0.03602647
9.16484480 1.10589071 -31.72277881
-0.00061389 -0.00017237 0.00057681
-0.00563219 0.00434578 0.00680228
6.89758038 2.79381366 -32.22172022
0.00029889 0.00034759 -0.00122344
-0.00764031 0.00312578 0.00301050
11.40587053 17.68237231 12.94052972
0.00002781 -0.00005818 -0.00076614
-0.00523923 0.00489580 0.01634317
11.97359211 15.39986995 14.39180123
0.00069939 -0.00061957 -0.00032101
0.01028653 -0.01262294 0.00585935
31.08718583 5.51591881 -7.88276075
0.00020895 0.00001406 -0.00031899
-0.00312517 -0.01522289 -0.00682281
28.72098895 7.37611325 -7.64988311
-0.00092503 0.00014892 -0.00061183
0.04546452 -0.00301319 0.00521060
-8.36668553 4.81605862 5.66511669
0.00013922 -0.00003444 0.00004024
0.00626435 0.00160141 -0.00004246
-10.73248887 10.12231160 3.34609240
-0.00002085 -0.00005564 -0.00006077
-0.00732334 -0.00053767 0.00607149
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08247185
0.31930014
425.45142398
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3054716383 (a.u.)
total exchange computation time: 2.7550048828 s
-153.9116736020
-931.39671328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3056698279 (a.u.)
total exchange computation time: 2.7577099800 s
-153.9106877753
Anderson extrapolation: theta=1.3593738505 (1.3593738505)
-931.39695416
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3058725206 (a.u.)
total exchange computation time: 2.7553620338 s
-153.9097783876
Anderson extrapolation: theta=0.0551527885 (0.0551527885)
-931.39710096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3058240741 (a.u.)
total exchange computation time: 2.7531571388 s
-153.9101637360
Anderson extrapolation: theta=2.0108462483 (2.0000000000)
-931.39710731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3057008849 (a.u.)
total exchange computation time: 2.7558629513 s
-153.9110626462
Anderson extrapolation: theta=0.2232590895 (0.2232590895)
-931.39711483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.239 s
total exchange = -52.3056621243 (a.u.)
total exchange computation time: 2.7544050217 s
-153.9112815629
Anderson extrapolation: theta=1.7606373890 (1.7606373890)
-931.39711639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3056046751 (a.u.)
total exchange computation time: 2.7542150021 s
-153.9115310260
Anderson extrapolation: theta=0.2782337961 (0.2782337961)
-931.39711845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3056007064 (a.u.)
total exchange computation time: 2.7559061050 s
-153.9114687324
Anderson extrapolation: theta=1.3287167332 (1.3287167332)
-931.39711899
-122.970534 32.020080 -36.287507
566.915748 1067.001285 -418.181974
443.945214 1099.021365 -454.469482
1269.439965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3056047288 (a.u.)
total exchange computation time: 2.7618918419 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3056047288 (a.u.)
total exchange computation time: 2.7626430988 s
[qbox] save md145.xml
SampleWriter: write time: 1.452 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1047.97 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: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.219 s
total exchange = -52.3056047288 (a.u.)
total exchange computation time: 2.7631697655 s
677.71231623
-1081.74943189
90.02270729
-390.43871425
-174.63839217
77.19838062
551.60419304
0.00000000
-931.39711952
5.30562413 -31.36762090 -3.77740431
-0.00046484 -0.00014529 0.00005126
-0.02499307 0.01148863 0.02742583
-11.86203451 -0.90335222 -11.80142538
0.00005124 0.00018140 0.00011323
0.00218922 -0.02116536 0.01326396
-37.86096430 2.43388602 3.17038568
0.00006905 0.00026936 -0.00016519
0.01695023 0.03004016 0.00396654
-10.04092782 -2.62454707 2.58738319
-0.00014103 0.00012235 0.00034825
-0.01168374 0.00686942 -0.00860827
0.92879722 -0.42711782 8.93396633
0.00024323 -0.00024437 0.00003010
0.00025095 -0.00093919 -0.02041590
-32.37825960 2.69218600 1.80571271
0.00003716 -0.00027262 -0.00002029
-0.03555062 0.00871651 -0.01334685
14.18978340 13.90091475 -14.59389883
0.00021910 0.00028434 -0.00016065
-0.06804793 0.00378971 -0.00166340
-4.40949617 7.00440407 3.93009255
-0.00037100 -0.00003659 -0.00017947
-0.01673595 0.00806599 0.06288209
5.95966533 16.63857484 -8.24514150
0.00014746 -0.00012250 0.00044155
-0.01116993 -0.00797026 -0.00210278
6.66778391 7.34003368 -20.95652846
-0.00011735 0.00019364 0.00008311
0.02531371 0.01075662 -0.02739659
23.32360269 17.07748979 -2.04483365
0.00009846 -0.00008651 0.00008422
0.01206747 -0.00732973 -0.00800867
1.44108762 12.93375299 -20.84319382
0.00008711 -0.00002023 0.00010012
0.01777784 0.00465801 0.01525633
10.43455034 -3.51655457 -1.74740338
-0.00009023 -0.00019486 -0.00030753
0.01542457 0.03292635 0.00084213
-17.74095737 -2.74324445 4.78583874
0.00015552 -0.00025359 0.00004906
0.00623636 0.00407557 -0.01438245
-15.19443551 0.03956657 18.46331718
0.00021642 -0.00021056 -0.00025417
0.00818881 -0.00142269 0.00912607
2.40198168 2.84563442 -2.77245026
-0.00059955 0.00012255 0.00018942
0.01967557 -0.00617570 -0.02366296
23.50580066 -7.98246726 -9.78921265
0.00025271 -0.00009034 -0.00010698
0.01912473 0.00401103 0.01505366
1.65872810 -7.82230450 6.77603754
0.00029847 0.00013130 0.00010393
-0.00827682 0.00700991 0.02769583
-3.44244566 -0.85652126 -17.91172054
0.00041112 0.00030029 0.00025089
-0.00700244 -0.03905769 -0.00097975
2.95458574 4.22653862 -10.44988622
-0.00046623 -0.00007560 0.00030442
-0.00806484 0.01078631 -0.02576551
-2.62942421 16.88462244 13.99345921
0.00005612 0.00015708 0.00017872
0.00669118 -0.00399755 0.02499153
-2.24445040 2.14085198 -6.99342399
0.00004623 -0.00003737 0.00005054
-0.02189156 -0.02367403 -0.04430966
-6.82785393 -2.05643897 -4.57237390
-0.00023903 -0.00013331 -0.00010270
-0.04271734 0.00787039 0.02451582
0.35594147 28.34294015 7.33744550
-0.00008810 0.00000692 -0.00025505
-0.03174635 -0.01671790 -0.03807294
10.16643684 -9.16998390 -1.63288368
0.00006643 -0.00009773 -0.00027591
0.01500168 -0.00591586 0.02371696
-6.98973008 0.66837145 7.78845792
-0.00028545 0.00045102 0.00020841
-0.02941134 0.01815022 -0.05188701
18.89601712 11.60710998 6.45998394
0.00024853 -0.00001153 0.00033987
0.00913289 0.02926814 0.02492160
-3.41185515 -3.72565813 -23.22067084
-0.00009376 0.00032515 0.00011623
-0.01308917 0.05119911 -0.00597483
-13.64030240 8.36507219 8.53359973
0.00005068 0.00007730 0.00021277
0.01278329 0.00650264 -0.00072533
-12.30528808 7.30815957 -2.95119887
-0.00016152 -0.00010884 -0.00018128
-0.00597002 -0.00614756 0.00339481
-3.60573124 -16.50403898 20.56805372
-0.00025711 -0.00019417 0.00015853
0.05294994 0.03151755 0.01646184
-3.66569010 7.16541762 -7.84753901
-0.00035285 0.00029059 -0.00010016
-0.00383991 0.02004832 0.01832550
-20.64806496 29.74981332 1.29951878
0.00020696 0.00015268 -0.00008394
-0.02978754 0.00841673 0.01028334
9.88069557 3.10508717 7.37888061
-0.00012872 -0.00001727 -0.00018456
-0.03400572 0.03098584 0.01353860
6.42791975 14.67398701 -12.82889386
0.00012502 0.00017339 0.00037836
0.00833709 -0.08309521 0.01946599
14.14957433 3.60287621 -2.70183425
-0.00022570 -0.00028830 0.00012225
-0.03156064 0.02320155 -0.02153690
-6.18264866 10.91759647 -0.31801625
0.00028641 -0.00031056 -0.00001157
-0.01468501 -0.00366592 -0.01136094
6.25829012 13.47102960 3.15985452
0.00007494 0.00052211 0.00013104
0.05624664 -0.02217388 0.00460697
21.80970463 -12.13548867 -11.78997953
-0.00010564 -0.00000066 0.00005126
0.02222532 -0.02741036 0.00024027
16.88658062 -6.30751571 3.37777253
0.00029771 -0.00004404 -0.00014047
0.01594619 0.04025141 -0.02626189
15.38742821 7.00620337 9.60435352
0.00005148 -0.00025050 -0.00031979
0.01151309 -0.01448645 -0.01463631
3.00710352 -13.71288247 16.15965489
0.00000862 -0.00003023 -0.00044838
-0.00681325 0.01797763 0.01110471
-3.59394405 -1.21142993 -10.89463139
0.00007154 -0.00022924 -0.00016063
0.01080378 0.00521470 0.00044409
15.32757856 -7.77421609 -9.53293390
-0.00006162 0.00015912 0.00005947
-0.00270348 -0.01265649 -0.01059812
9.23981968 -3.80187233 6.38496322
0.00029958 -0.00051798 0.00012853
0.03054273 -0.01962275 0.02255773
-21.65932804 1.58128310 24.43221615
-0.00014934 0.00007621 -0.00002158
0.02568709 0.00973830 -0.00811416
24.88658621 -1.74797404 -6.55966101
-0.00004784 -0.00001204 -0.00020392
0.00338219 -0.00295171 -0.01057232
11.94126402 -11.93196256 -10.08247010
0.00031714 -0.00017366 -0.00009698
-0.00371151 0.00409949 0.03316076
-4.69862834 -10.50010655 16.59611359
0.00005744 -0.00036453 0.00002669
-0.00454384 0.00053625 -0.04724487
8.23344110 2.56643669 -31.00795534
0.00010816 0.00020042 -0.00047581
0.00108905 -0.01244492 -0.00321991
11.01096305 16.90511782 14.58498465
0.00012348 -0.00020807 -0.00017909
0.00267282 0.01638697 -0.02215353
30.64291549 7.21901960 -7.37975843
0.00001821 -0.00007476 0.00032117
-0.05568732 0.02696843 -0.01335629
5.45965792 -30.16605448 -5.11980286
-0.00028215 0.00011714 -0.00061763
0.00898471 0.00820045 -0.02057053
4.14105031 -30.40101620 -2.65345131
0.00056643 0.00052736 0.00062938
0.01165695 -0.01770714 -0.00781018
-12.61938545 -1.92723382 -13.16424473
0.00043333 -0.00022640 0.00057726
0.00584726 -0.00122859 -0.00004947
-11.78483965 0.75647942 -12.51674875
-0.00039447 -0.00058084 -0.00112705
0.00051022 0.01555741 -0.01773362
-37.84230477 4.33640168 2.77229274
0.00006571 0.00004579 0.00058710
-0.01734730 -0.03840258 0.00353820
-39.50852896 1.70191575 3.46397694
0.00040849 -0.00026854 0.00003493
-0.00318474 0.01165253 -0.00535858
-10.22402947 -3.42690773 0.93651584
-0.00101856 0.00063749 0.00045490
-0.00174545 0.00921355 0.00198493
-8.64326807 -3.40778771 3.35052501
-0.00064904 0.00057731 -0.00098714
0.03144069 -0.01218132 0.01021499
0.69672736 -0.67013332 7.12445363
0.00098678 -0.00032634 -0.00122201
-0.00313838 -0.00937086 0.00452521
1.78562251 1.17078366 8.86423573
-0.00047981 -0.00025200 0.00022712
0.00208448 0.00577255 0.01500064
-32.79547093 0.90826156 1.88802774
-0.00044447 0.00066768 -0.00063832
0.00948631 -0.01053947 0.01060556
-34.11172899 3.36718364 1.50535017
-0.00035215 0.00016120 -0.00055105
0.02457975 -0.00336415 0.00920970
12.64855627 12.99619836 -15.35709550
0.00074405 0.00028606 0.00009370
0.04376396 0.01822439 0.01623219
15.52169600 12.72809176 -14.58052492
-0.00017709 -0.00040257 -0.00060646
0.02721003 -0.02595905 -0.01671817
-4.04339439 8.76208859 4.34805434
-0.00057220 -0.00032676 0.00026381
-0.00316092 -0.00051754 0.00623398
-3.81266338 6.81052019 2.32660908
-0.00051555 -0.00123759 -0.00003892
0.02131323 -0.01388005 -0.06280332
6.17305505 15.71604851 -9.88936479
0.00034297 -0.00024070 -0.00039961
0.00235198 0.01021698 0.00879121
7.66447246 17.04575026 -7.69744569
0.00046320 0.00003607 0.00021531
0.00521957 -0.00533307 -0.00305979
7.57139101 7.32816211 -22.66209380
-0.00054632 -0.00015089 0.00031181
-0.01325982 -0.00991598 0.02088367
7.75899594 8.60026354 -20.12267075
-0.00045152 0.00058930 -0.00086673
-0.00489882 -0.01072316 0.00572689
21.55628047 17.45408462 -2.38127822
-0.00051173 -0.00072967 0.00072008
-0.00210000 0.00135799 0.00863055
24.23342340 17.78740824 -3.45983978
-0.00100251 -0.00004749 0.00014445
0.00071337 0.00626948 -0.00276765
1.01456994 11.17391225 -20.85447064
-0.00062802 -0.00029819 0.00105537
-0.00890456 -0.00971085 -0.00865647
0.73234840 13.89069301 -22.19090463
0.00031643 0.00030019 0.00032801
-0.00791618 0.00249146 -0.01035869
10.05301273 -5.22178680 -1.73554770
0.00114242 0.00093442 -0.00009634
-0.01024406 -0.05437634 -0.00129951
9.97127855 -2.93615093 -3.38033925
0.00082479 -0.00039685 -0.00072882
-0.01161610 0.00784754 -0.01187691
-18.47518608 -4.26112382 5.42111581
0.00057185 0.00000856 0.00090908
-0.01185923 -0.01676270 0.01603386
-17.56530368 -3.22960385 3.03358301
-0.00083800 0.00019170 -0.00050190
0.00136650 0.00621560 -0.00240645
-15.36581898 0.52283440 16.73119296
0.00014386 0.00053373 -0.00030322
0.00118488 0.00430672 -0.01338808
-13.83495849 1.07961316 19.10375925
-0.00014554 0.00043250 0.00065870
-0.00625320 -0.00056557 -0.00055877
3.14777638 4.10337735 -3.88936070
-0.00002117 0.00084364 0.00089949
-0.01130401 0.00736134 0.00963191
3.48379955 1.44546624 -3.36574631
0.00078626 0.00072207 -0.00041047
-0.00980945 0.00016257 0.01343232
23.39285554 -9.70411274 -10.44096968
0.00004481 -0.00092848 -0.00048162
-0.01029794 -0.00591879 0.00061112
25.01767483 -7.94021571 -8.72204243
-0.00005548 0.00034104 -0.00056321
-0.01003757 0.00529668 -0.00974987
2.36759056 -9.17617171 5.78767598
-0.00020556 0.00022850 0.00028153
0.00359195 0.00193318 0.00490293
1.92929117 -8.11730195 8.63034920
-0.00089849 0.00067753 0.00043728
0.00255090 0.00551556 -0.03747124
-3.33090181 -2.74656944 -18.01292733
0.00031878 0.00043961 -0.00030208
-0.00201006 0.03064881 0.00321712
-5.03349085 -0.58711961 -16.97649258
0.00056152 -0.00042383 0.00027210
0.00933321 0.00539894 0.00011932
2.08963323 4.93608951 -11.98422914
0.00042550 0.00068004 -0.00079911
0.00995222 -0.00948674 0.02211016
1.72310611 4.36040995 -9.11861371
-0.00015967 0.00035804 0.00085943
-0.00225581 -0.00356168 0.00088473
-1.09202852 15.92656615 13.61065113
-0.00024817 -0.00144280 0.00058836
0.00618078 -0.00607493 -0.01826943
-2.38683727 17.02633991 15.81236918
-0.00031868 -0.00037935 -0.00068679
-0.01383325 0.00326789 -0.00631657
-2.10575599 1.35222683 -5.40023475
-0.00066629 0.00068769 0.00049647
0.00212823 -0.00649035 0.01939675
-3.14106393 0.81190670 -8.16668501
-0.00032057 0.00057758 0.00013865
0.02321955 0.03284200 0.01926177
-8.44139061 -3.05997691 -4.31739165
0.00015171 0.00053929 0.00069339
0.03340352 0.01437127 -0.00794126
-7.38260362 -0.36610496 -3.92215806
-0.00014429 0.00039895 -0.00015506
0.01133895 -0.01818565 -0.01438165
1.33294310 28.20638158 5.72948756
0.00003248 0.00018267 0.00085605
-0.01631846 0.00454357 0.01927031
-1.51978604 28.08244159 6.74262765
0.00038158 -0.00018734 0.00068804
0.05273457 0.01102692 0.01190140
8.39617775 -9.41540668 -1.93799697
0.00040491 -0.00013369 0.00012501
-0.01398120 0.00259317 -0.00591288
10.42786183 -9.64790835 0.18671319
0.00115112 0.00080752 0.00026313
0.00123484 0.00543485 -0.02403483
-5.88329077 0.35802789 9.12144460
-0.00022888 -0.00083394 -0.00033929
0.02087203 -0.01861688 0.03848094
-8.58363691 -0.20203094 7.99684549
0.00051202 -0.00002865 0.00016025
0.00740894 -0.00190766 0.01117319
19.49901676 11.26967919 8.21269182
-0.00013230 -0.00063575 -0.00045337
-0.00149081 -0.00858120 -0.02045966
19.63543740 13.32854193 6.23597565
0.00021294 -0.00046350 0.00040149
-0.00764283 -0.02360617 -0.00817733
-2.84068574 -1.98907978 -22.71958396
-0.00087747 -0.00023183 -0.00071281
-0.00036719 -0.03231158 0.00408408
-4.84794111 -3.08966530 -24.28494567
-0.00040376 0.00122394 -0.00055731
0.00379024 -0.01767675 -0.00246370
-12.46999915 9.09561682 9.75887014
-0.00012013 -0.00025576 0.00075382
-0.00431884 -0.00303506 0.00583123
-12.84844174 9.02749378 7.00536718
0.00023923 0.00045051 0.00025179
-0.00640586 -0.00520740 -0.00800799
-13.11308241 7.44642463 -4.68012212
-0.00093479 0.00029198 -0.00045441
0.00585575 -0.00914441 0.00646018
-11.97974679 9.03908317 -2.56509479
-0.00084819 -0.00079068 -0.00044867
0.00918961 0.01674013 0.00695385
-5.07064148 -17.23284275 19.90734145
-0.00108917 -0.00002405 0.00016395
-0.03406964 -0.02124705 -0.01907854
-2.25940543 -16.34743093 19.31688560
-0.00041014 0.00105653 -0.00015135
-0.01473775 -0.00630428 0.00905789
-3.29159491 5.46883486 -7.25340253
0.00061370 0.00006036 -0.00035200
-0.00278367 -0.00395920 0.00178260
-4.32547121 8.25769069 -6.40333301
-0.00131059 0.00016634 0.00118202
0.01476806 -0.01491235 -0.03032226
-21.17682742 28.03888244 1.01381619
-0.00009819 0.00020889 0.00138295
-0.00051369 -0.00805396 -0.00284604
-18.91437556 29.86017453 0.87553203
-0.00114733 0.00072130 -0.00070911
0.02724677 -0.00422988 -0.00242210
8.24068081 2.67748541 6.46941425
0.00052228 0.00000590 -0.00000442
0.03128735 0.01047700 0.00687971
9.52465239 4.74139928 8.35979394
0.00066488 0.00061505 0.00097008
0.00032413 -0.02931013 -0.02538792
7.34320856 15.89794130 -13.65480029
0.00048346 0.00111090 0.00154727
0.02894319 0.04692679 -0.03332251
7.49128614 13.11694483 -13.24789717
0.00148677 0.00041410 -0.00033531
-0.03174294 0.03240519 0.01216681
12.91711608 5.01674469 -3.06762275
0.00007583 -0.00083701 0.00058239
0.02178462 -0.01598357 -0.00336898
13.12755392 2.85320818 -1.38507486
0.00117832 0.00000303 -0.00035982
0.00892919 -0.00538525 0.01988745
-4.86055395 9.74587742 -0.74892183
-0.00030228 0.00090744 -0.00100828
0.00235238 -0.00850619 0.00148565
-7.75092733 9.90935888 -0.41401408
0.00069521 -0.00031654 0.00038588
0.01799954 0.01209943 0.00791113
4.89280733 13.22728463 2.02126412
0.00072561 0.00008778 -0.00042123
-0.01879906 -0.00704723 -0.01214346
7.70405671 12.25418047 2.70949042
0.00043927 -0.00025386 0.00010325
-0.03769020 0.03195024 0.01439807
21.24127666 -13.13662727 -10.33825167
0.00017134 -0.00012582 -0.00094128
-0.00478569 0.00333232 -0.00785639
22.82645785 -13.37187300 -12.87491689
0.00030376 0.00087150 -0.00020035
-0.02727997 0.01973490 0.01411293
17.49605287 -5.67986689 1.70110352
-0.00072714 0.00138738 -0.00100059
-0.00531099 -0.00571545 0.02102620
16.35795795 -7.95491142 2.97631199
-0.00030468 0.00045677 0.00060760
-0.00992266 -0.02883798 -0.00088357
14.41533380 8.18895920 10.54739651
0.00038391 -0.00036864 -0.00111368
-0.01313158 0.01070810 0.01086723
16.75298711 6.55580641 10.73167169
0.00027335 0.00003158 -0.00007135
-0.00313075 0.00169122 0.00266885
1.29794965 -13.33750538 15.63261010
-0.00105386 0.00031187 0.00178552
0.00077787 -0.00716561 -0.00328444
3.31725381 -12.23868392 17.26304354
-0.00067796 0.00069863 -0.00039397
0.00889699 -0.01125727 -0.00710474
-3.50900903 -2.67327231 -9.76519167
-0.00024414 -0.00038602 0.00061761
-0.00125628 -0.00237960 -0.00487705
-1.95425566 -1.26841688 -11.81628196
-0.00080778 -0.00049537 0.00014362
-0.01026081 0.00857706 0.00713414
14.94331369 -8.04455478 -11.38513367
-0.00091858 -0.00062418 -0.00120528
0.00860015 0.01303444 0.01614399
17.04793817 -7.06379029 -9.19840979
-0.00003777 0.00005205 0.00030385
-0.01466695 0.00100161 -0.00718126
7.68323663 -3.33825057 5.63214902
0.00085758 -0.00101180 -0.00015724
-0.02302378 0.00680171 -0.01925386
10.51399172 -4.19670954 5.06526901
-0.00048463 -0.00021045 0.00037228
-0.02288224 0.01358936 0.00962645
-20.88821764 0.87853025 22.92131053
0.00051672 -0.00042785 -0.00009134
-0.00773561 0.00666296 0.00573995
-23.25620512 0.78950386 24.72055947
-0.00072545 -0.00003126 -0.00059938
-0.01310477 -0.00863876 0.00675317
25.97867382 -2.55305675 -7.85461811
0.00062140 -0.00028220 0.00070947
-0.01373408 0.00341137 0.01202939
23.61256951 -0.73333835 -7.40736697
-0.00014083 -0.00010445 -0.00031591
0.00803338 -0.00503838 -0.00098688
10.87689473 -12.62043190 -8.64789678
-0.00055104 0.00122946 -0.00019797
0.01791519 0.00979563 -0.02364229
13.08557890 -10.58866003 -9.41983568
0.00035600 -0.00092717 0.00004030
-0.01564930 -0.01641401 -0.00743509
-5.53376414 -10.43041186 18.17909993
0.00033930 -0.00005354 0.00017473
-0.01730857 0.00645044 0.01824413
-5.83109937 -9.90174284 15.14571889
0.00133115 0.00009947 -0.00031702
0.02071209 -0.00835062 0.03560919
9.15546388 1.10343830 -31.71391816
-0.00063300 -0.00015864 0.00060145
-0.00372314 0.00237379 0.00525693
6.90182956 2.79912324 -32.23997961
0.00027195 0.00035952 -0.00120678
-0.00554592 0.00271615 0.00514620
11.40612712 17.68164965 12.92953841
0.00000531 -0.00004173 -0.00069267
-0.00577413 0.00315575 0.01962107
11.98439821 15.39018962 14.38716560
0.00073575 -0.00066108 -0.00029644
0.00751023 -0.00769602 0.00616799
31.09022434 5.51566328 -7.88775462
0.00019554 -0.00004612 -0.00034585
-0.00344118 -0.01423546 -0.00632733
28.70850674 7.37825471 -7.65890089
-0.00072983 0.00013532 -0.00058838
0.05008643 -0.00364373 0.00626815
-8.36458046 4.81554633 5.66572019
0.00014144 -0.00003389 0.00004021
0.00615139 0.00144551 -0.00010477
-10.73281431 10.12147606 3.34519141
-0.00002252 -0.00005574 -0.00005934
-0.00711221 -0.00031471 0.00622328
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08243409
0.31468543
419.30255249
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.249 s
total exchange = -52.3089094652 (a.u.)
total exchange computation time: 2.7291500568 s
-153.9233061914
-931.39280306
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3090503688 (a.u.)
total exchange computation time: 2.7306239605 s
-153.9228758978
Anderson extrapolation: theta=1.3447357496 (1.3447357496)
-931.39304683
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3091805826 (a.u.)
total exchange computation time: 2.7286159992 s
-153.9227091262
Anderson extrapolation: theta=0.0495548486 (0.0495548486)
-931.39319240
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3091344377 (a.u.)
total exchange computation time: 2.7273218632 s
-153.9231133543
Anderson extrapolation: theta=1.9048643970 (1.9048643970)
-931.39319779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3090247081 (a.u.)
total exchange computation time: 2.7290959358 s
-153.9239959415
Anderson extrapolation: theta=0.2152527938 (0.2152527938)
-931.39320360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3089925964 (a.u.)
total exchange computation time: 2.7295839787 s
-153.9241956152
Anderson extrapolation: theta=1.9206033147 (1.9206033147)
-931.39320476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3089434200 (a.u.)
total exchange computation time: 2.7329130173 s
-153.9244335198
Anderson extrapolation: theta=0.2833262369 (0.2833262369)
-931.39320640
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3089427341 (a.u.)
total exchange computation time: 2.7290041447 s
-153.9243610350
Anderson extrapolation: theta=1.3064723475 (1.3064723475)
-931.39320683
-123.001915 -12.356690 -36.316299
566.923429 1067.034473 -418.182035
443.921514 1054.677784 -454.498334
1231.251507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0586482558
ExchangeOperator: pair fraction: ispin=0: 0.1437533802
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3089516420 (a.u.)
total exchange computation time: 2.7287790775 s
677.77595729
-1081.87518291
90.01338329
-390.35069508
-174.64771819
77.26862563
551.60419304
0.00000000
-931.39320723
5.29855511 -31.36975590 -3.77652965
-0.00047742 -0.00013845 0.00006431
-0.02390776 0.01511625 0.02331370
-11.86125740 -0.90071294 -11.79967576
0.00005243 0.00017031 0.00012026
0.00241553 -0.02193999 0.01406956
-37.85986317 2.43804223 3.16792315
0.00007793 0.00028425 -0.00016307
0.01758919 0.02789164 0.00425291
-10.04308838 -2.62268534 2.59257370
-0.00014913 0.00012718 0.00034296
-0.01978622 0.01193158 -0.01196774
0.93244662 -0.43078700 8.93433900
0.00024281 -0.00024576 0.00001758
-0.00188920 -0.00444398 -0.02826122
-32.37783926 2.68813039 1.80535689
0.00001839 -0.00026631 -0.00002740
-0.03747156 0.01579335 -0.01431853
14.19280742 13.90519453 -14.59631498
0.00018526 0.00028600 -0.00016114
-0.06354171 0.00264318 -0.00022827
-4.41512574 7.00388627 3.92764300
-0.00037974 -0.00003296 -0.00014732
-0.01724770 0.00606246 0.06217012
5.96183410 16.63670665 -8.23852643
0.00014228 -0.00012696 0.00043971
-0.00895601 -0.00940632 -0.00503939
6.66612133 7.34297979 -20.95538747
-0.00010487 0.00019885 0.00006916
0.02319990 0.00950663 -0.02683995
23.32512607 17.07616393 -2.04360122
0.00010341 -0.00009060 0.00008091
0.00721252 -0.00860474 -0.00488549
1.44246279 12.93346753 -20.84163313
0.00009621 -0.00001876 0.00010819
0.01762340 0.00103743 0.01609461
10.43325643 -3.51935040 -1.75201310
-0.00008168 -0.00017450 -0.00030730
0.01782935 0.04624724 0.00007439
-17.73860045 -2.74703262 4.78651913
0.00015885 -0.00025136 0.00004110
0.00669403 0.00459135 -0.01654243
-15.19115757 0.03640273 18.45953981
0.00022108 -0.00021067 -0.00024970
0.00990683 0.00100009 0.00824843
2.39306431 2.84744886 -2.76970028
-0.00058852 0.00011917 0.00017660
0.02323678 -0.00696296 -0.02616600
23.50966502 -7.98380685 -9.79075922
0.00026145 -0.00008968 -0.00010038
0.01487631 -0.00146176 0.01058274
1.66317315 -7.82030796 6.77770328
0.00029372 0.00013564 0.00011852
-0.01018276 0.00988429 0.02905337
-3.43630591 -0.85216761 -17.90796100
0.00040765 0.00028030 0.00025025
-0.00647377 -0.03868256 -0.00149371
2.94756122 4.22544622 -10.44541926
-0.00047069 -0.00006970 0.00029063
-0.00930255 0.01215178 -0.02785344
-2.62855664 16.88696321 13.99623647
0.00006002 0.00015421 0.00018967
0.00848742 -0.00716191 0.01756031
-2.24384139 2.14020018 -6.99283679
0.00003512 -0.00004923 0.00002806
-0.02130425 -0.02244979 -0.04310873
-6.83160411 -2.05840824 -4.57381987
-0.00026036 -0.00012814 -0.00008986
-0.04022278 0.01223241 0.02541066
0.35449754 28.34297948 7.33347288
-0.00010429 -0.00000139 -0.00027284
-0.03121604 -0.01561784 -0.03110604
10.16749121 -9.17147272 -1.63693090
0.00007515 -0.00010066 -0.00026312
0.01890532 -0.00547226 0.02603361
-6.99412530 0.67520676 7.79138393
-0.00029983 0.00046075 0.00018178
-0.02651557 0.01969604 -0.05166871
18.89978032 11.60704993 6.46517817
0.00025247 0.00000291 0.00035158
0.00619561 0.02687665 0.02060635
-3.41331204 -3.72058335 -23.21895049
-0.00010207 0.00035062 0.00011195
-0.01921456 0.04783398 -0.01067296
-13.63949294 8.36625674 8.53678843
0.00005748 0.00008077 0.00021235
0.01366167 0.00698987 -0.00089689
-12.30773393 7.30650332 -2.95390496
-0.00016522 -0.00011349 -0.00018048
-0.00840246 -0.01195516 -0.00027389
-3.60938364 -16.50682991 20.57049524
-0.00023104 -0.00017862 0.00016629
0.04841720 0.02895004 0.01370262
-3.67099762 7.16985381 -7.84897068
-0.00035522 0.00030101 -0.00008944
-0.00539117 0.02047179 0.02333329
-20.64507549 29.75213595 1.29829936
0.00018931 0.00015728 -0.00007795
-0.03882783 0.00946618 0.01301130
9.87863358 3.10494757 7.37616441
-0.00014524 -0.00000038 -0.00017651
-0.03024356 0.03472729 0.01775809
6.42982724 14.67626727 -12.82314344
0.00013045 0.00013092 0.00038750
0.01278373 -0.08204644 0.01608008
14.14606708 3.59864123 -2.70008358
-0.00023998 -0.00027617 0.00010974
-0.02394969 0.02395689 -0.02711889
-6.17840918 10.91292387 -0.31823368
0.00027798 -0.00031087 -0.00001693
-0.01808772 0.00247780 -0.00947390
6.25963113 13.47877570 3.16183786
0.00010446 0.00051010 0.00013317
0.05856992 -0.02453375 0.00366405
21.80820580 -12.13560426 -11.78920967
-0.00009382 -0.00001374 0.00005033
0.02371842 -0.02347707 -0.00388079
16.89110771 -6.30802104 3.37556423
0.00030647 -0.00002181 -0.00015467
0.01814703 0.04617305 -0.02896992
15.38824484 7.00239004 9.59950025
0.00005850 -0.00025892 -0.00032772
0.01577463 -0.01826054 -0.01621495
3.00720649 -13.71326665 16.15297200
0.00000416 -0.00001994 -0.00044233
-0.01052392 0.02207023 0.01244614
-3.59282932 -1.21484849 -10.89703911
0.00007572 -0.00022728 -0.00015911
0.00547000 0.00242475 0.00544234
15.32664378 -7.77187810 -9.53208280
-0.00006352 0.00015219 0.00005242
-0.00468453 -0.01430473 -0.01679653
9.24443117 -3.80971773 6.38697813
0.00031510 -0.00052803 0.00014120
0.02983379 -0.01945064 0.02672887
-21.66146902 1.58246383 24.43186122
-0.00013661 0.00008041 -0.00002633
0.02379532 0.00658683 -0.01035853
24.88588160 -1.74816602 -6.56276060
-0.00004629 -0.00001341 -0.00020894
0.00265804 -0.00238419 -0.00896117
11.94600674 -11.93455169 -10.08379692
0.00031474 -0.00017192 -0.00008022
-0.00561719 0.00268645 0.03202559
-4.69778433 -10.50557241 16.59633176
0.00005565 -0.00036451 0.00000297
-0.00239609 -0.00046805 -0.04501008
8.23506771 2.56939497 -31.01510486
0.00010772 0.00019476 -0.00047766
-0.00279560 -0.00956108 -0.00397623
11.01282555 16.90206004 14.58221280
0.00012571 -0.00020050 -0.00019125
0.00599129 0.01304610 -0.02510419
30.64297384 7.21800216 -7.37499244
-0.00001130 -0.00006109 0.00031379
-0.05905927 0.02620981 -0.01534737
5.45570101 -30.16404604 -5.12969763
-0.00024695 0.00014333 -0.00069259
0.00824431 0.00461711 -0.01612328
4.14990400 -30.39364846 -2.64424995
0.00061356 0.00045500 0.00059645
0.01141048 -0.01771218 -0.00830964
-12.61270634 -1.93066749 -13.15558728
0.00045574 -0.00023381 0.00057561
0.00512532 -0.00239922 -0.00076224
-11.79074100 0.74824355 -12.53419791
-0.00039195 -0.00051342 -0.00119915
0.00071939 0.01744597 -0.01755825
-37.84185066 4.33591169 2.78120768
-0.00000572 -0.00010721 0.00060039
-0.01762008 -0.03648859 0.00296620
-39.50249924 1.69824468 3.46433676
0.00039469 -0.00022072 0.00001332
-0.00357037 0.01175586 -0.00522307
-10.23936142 -3.41706303 0.94340021
-0.00102603 0.00067375 0.00046000
-0.00190794 0.00853310 0.00050917
-8.65204028 -3.39950137 3.33603086
-0.00050414 0.00051837 -0.00093635
0.03948842 -0.01666879 0.01465146
0.71143282 -0.67531552 7.10626210
0.00097596 -0.00036223 -0.00118712
-0.00215593 -0.00819988 0.01255484
1.77848929 1.16718061 8.86810224
-0.00046870 -0.00022333 0.00028821
0.00335350 0.00826099 0.01489948
-32.80184729 0.91795376 1.87877797
-0.00040798 0.00061260 -0.00059394
0.00837762 -0.01641985 0.01111522
-34.11625800 3.36949857 1.49736668
-0.00024548 0.00014566 -0.00051210
0.02763373 -0.00424129 0.00985608
12.66105813 13.00104772 -15.35519265
0.00091583 0.00035867 0.00015741
0.04032387 0.01731693 0.01495527
15.51987347 12.72125776 -14.59013410
-0.00006777 -0.00050470 -0.00067417
0.02630459 -0.02403435 -0.01642916
-4.05207422 8.75717137 4.35220252
-0.00058356 -0.00032648 0.00028707
-0.00240185 0.00065224 0.00515138
-3.81974352 6.79153103 2.32410086
-0.00042911 -0.00129232 -0.00029257
0.02099727 -0.01291049 -0.06136056
6.17827166 15.71275113 -9.89508957
0.00035139 -0.00019566 -0.00035647
0.00177039 0.01183093 0.01232878
7.67158045 17.04612794 -7.69430978
0.00048103 0.00001322 0.00020193
0.00350883 -0.00585259 -0.00349207
7.56278982 7.32559495 -22.65677676
-0.00059854 -0.00019156 0.00039313
-0.01229780 -0.00999322 0.01892243
7.75207304 8.60877440 -20.13549627
-0.00046909 0.00054828 -0.00084051
-0.00370090 -0.00935596 0.00710808
21.54854019 17.44318122 -2.37021252
-0.00051530 -0.00072473 0.00075611
0.00034952 0.00105839 0.00900499
24.21840755 17.78688802 -3.45775780
-0.00099484 -0.00001842 0.00012605
0.00304456 0.00795806 -0.00624249
1.00487673 11.16914185 -20.83890533
-0.00066298 -0.00033009 0.00101912
-0.00820654 -0.00590410 -0.00908923
0.73685232 13.89527221 -22.18630191
0.00028310 0.00030995 0.00028476
-0.00839860 0.00228841 -0.01081348
10.06983509 -5.20943678 -1.73703268
0.00109522 0.00068633 -0.00010182
-0.01286025 -0.06706270 -0.00137933
9.98329447 -2.94186318 -3.39163554
0.00077771 -0.00036594 -0.00077529
-0.01143216 0.00728019 -0.01087010
-18.46697177 -4.26150904 5.43524328
0.00052357 -0.00006059 0.00097293
-0.01177113 -0.01708956 0.01522308
-17.57783175 -3.22653787 3.02598083
-0.00083355 0.00021682 -0.00050576
0.00080760 0.00607820 0.00051720
-15.36362476 0.53097226 16.72623436
0.00014946 0.00055043 -0.00035329
0.00155640 0.00386786 -0.01112166
-13.83733318 1.08608336 19.11362269
-0.00017567 0.00042657 0.00065358
-0.00849557 -0.00233987 -0.00194728
3.14711243 4.11625746 -3.87557314
-0.00006968 0.00087151 0.00094126
-0.01244245 0.00628489 0.01081415
3.49529287 1.45630234 -3.37149174
0.00074151 0.00072613 -0.00035314
-0.01209518 0.00182415 0.01463237
23.39321214 -9.71822128 -10.44817527
0.00000385 -0.00094112 -0.00047414
-0.00975271 -0.00026814 0.00304902
25.01653501 -7.93493783 -8.73078933
-0.00009002 0.00036219 -0.00059863
-0.00686746 0.00505955 -0.00758808
2.36461728 -9.17268493 5.79204914
-0.00018825 0.00023179 0.00029927
0.00488197 -0.00032509 0.00378222
1.91589194 -8.10697004 8.63576020
-0.00088687 0.00069881 0.00028396
0.00313761 0.00490257 -0.03758114
-3.32618172 -2.73903618 -18.01736002
0.00031154 0.00056219 -0.00028906
-0.00153509 0.02935774 0.00315904
-5.02478210 -0.59331166 -16.97240736
0.00059697 -0.00040023 0.00027369
0.00802058 0.00615353 0.00065808
2.09632071 4.94599944 -11.99553823
0.00046720 0.00063787 -0.00069984
0.01045879 -0.01115877 0.02648071
1.72064195 4.36567137 -9.10569516
-0.00016730 0.00034415 0.00085820
-0.00148126 -0.00323721 -0.00148607
-1.09556174 15.90473805 13.61891669
-0.00022756 -0.00146345 0.00051388
0.00390925 -0.00403404 -0.01819009
-2.39204143 17.02074984 15.80187380
-0.00037353 -0.00036392 -0.00069752
-0.01301491 0.00428175 0.00106527
-2.11568509 1.36234335 -5.39219333
-0.00065802 0.00066149 0.00057398
0.00191795 -0.00633836 0.01854704
-3.14516095 0.82157674 -8.16401495
-0.00022628 0.00070903 0.00021671
0.02293789 0.03150530 0.01894624
-8.43809138 -3.05144719 -4.30723410
0.00028195 0.00059302 0.00066128
0.03035023 0.01192819 -0.00777785
-7.38442047 -0.36067802 -3.92492467
-0.00009647 0.00032093 -0.00021553
0.01206706 -0.02000619 -0.01521760
1.33293024 28.20926079 5.74291878
-0.00002922 0.00019994 0.00092403
-0.01388574 0.00391392 0.01400698
-1.51244640 28.07996943 6.75331301
0.00059142 -0.00014335 0.00073333
0.04998138 0.01050277 0.01026640
8.40182294 -9.41733261 -1.93630295
0.00034238 -0.00012407 0.00010111
-0.01662874 0.00211882 -0.00578620
10.44516640 -9.63562908 0.18992365
0.00115357 0.00082972 0.00015993
-0.00003535 0.00543631 -0.02648408
-5.88608444 0.34494833 9.11753450
-0.00014180 -0.00090994 -0.00018193
0.02175735 -0.01858750 0.03854772
-8.57572953 -0.20251910 7.99959158
0.00053514 -0.00003967 0.00020551
0.00390480 -0.00348678 0.01098127
19.49698663 11.25988002 8.20526434
-0.00013549 -0.00067142 -0.00052800
-0.00007410 -0.00888012 -0.01607387
19.63839725 13.32086611 6.24174740
0.00018412 -0.00055421 0.00036759
-0.00646361 -0.02079948 -0.00841527
-2.85385906 -1.99354734 -22.73015102
-0.00087264 -0.00035201 -0.00069102
0.00273242 -0.02651983 0.00658592
-4.85388137 -3.07184783 -24.29338088
-0.00038239 0.00114642 -0.00056331
0.00666831 -0.02026912 -0.00046935
-12.47193348 9.09168740 9.77035618
-0.00013866 -0.00026853 0.00077540
-0.00474961 -0.00321434 0.00473158
-12.84504957 9.03409191 7.00889860
0.00021236 0.00042835 0.00022150
-0.00674984 -0.00564402 -0.00681584
-13.12692485 7.45052411 -4.68674028
-0.00090805 0.00025264 -0.00042370
0.00723525 -0.01011399 0.00857099
-11.99218809 9.02773599 -2.57161172
-0.00080760 -0.00070936 -0.00041630
0.01067920 0.02306578 0.00888877
-5.08802302 -17.23385454 19.90921614
-0.00121684 -0.00010506 0.00009025
-0.02842568 -0.01841095 -0.01700087
-2.26600913 -16.33177617 19.31489291
-0.00047259 0.00102979 -0.00011307
-0.01583011 -0.00678545 0.00968135
-3.28247471 5.46961893 -7.25862791
0.00060088 0.00004849 -0.00034608
-0.00349293 -0.00184954 0.00111649
-4.34467746 8.25972877 -6.38653195
-0.00124548 0.00009995 0.00104882
0.01710202 -0.01758599 -0.03487558
-21.17831596 28.04176902 1.03447316
-0.00010009 0.00017338 0.00137053
-0.00041947 -0.00933027 -0.00323093
-18.93075053 29.87086449 0.86482110
-0.00101828 0.00070421 -0.00072397
0.03592038 -0.00413644 -0.00484865
8.24947382 2.67789499 6.46955875
0.00064298 0.00004856 0.00002111
0.02779480 0.01040632 0.00561717
9.53463556 4.74972690 8.37356715
0.00066546 0.00048783 0.00086038
-0.00004381 -0.03296390 -0.02830971
7.35134739 15.91604273 -13.63261241
0.00059688 0.00129640 0.00141619
0.02657548 0.04387888 -0.03083933
7.51261498 13.12414930 -13.25255396
0.00135274 0.00055076 -0.00028378
-0.03386568 0.03449302 0.01305765
12.91892100 5.00369975 -3.05899006
0.00015920 -0.00089534 0.00056602
0.01902718 -0.01256864 -0.00464870
13.14550227 2.85308861 -1.38986273
0.00120454 -0.00002732 -0.00026487
0.00390561 -0.00946950 0.02659176
-4.86501600 9.75922829 -0.76400058
-0.00028089 0.00086270 -0.00100528
0.00811712 -0.01339171 -0.00001393
-7.73994768 9.90498161 -0.40798342
0.00076383 -0.00026979 0.00041769
0.01559148 0.01078387 0.00765716
4.90311536 13.22838538 2.01457349
0.00064790 0.00005942 -0.00047063
-0.01924073 -0.00683341 -0.01203661
7.70949080 12.25135166 2.71148031
0.00028174 -0.00011889 0.00016393
-0.03942252 0.03411542 0.01530679
21.24370008 -13.13841242 -10.35261163
0.00014856 -0.00011833 -0.00096378
-0.00636422 0.00033208 -0.00315906
22.83017823 -13.35819580 -12.87748964
0.00019334 0.00095005 -0.00014337
-0.02677016 0.01871825 0.01377585
17.48498298 -5.65923136 1.68673899
-0.00075167 0.00135763 -0.00090590
-0.00669634 -0.00884444 0.02532465
16.35308368 -7.94894362 2.98539897
-0.00034664 0.00033338 0.00060059
-0.01061432 -0.03156011 -0.00254846
14.42068999 8.18375776 10.53102438
0.00032473 -0.00031806 -0.00106357
-0.01583639 0.01405225 0.01365946
16.75699146 6.55633196 10.73068316
0.00025750 0.00003935 -0.00006255
-0.00462873 0.00211301 0.00164282
1.28216557 -13.33304698 15.65929226
-0.00104562 0.00027905 0.00177160
0.00325660 -0.00889896 -0.00353144
3.30735699 -12.22854945 17.25691628
-0.00063905 0.00064803 -0.00042528
0.01015213 -0.01350991 -0.00822058
-3.51270962 -2.67913557 -9.75607700
-0.00024871 -0.00038936 0.00059223
-0.00098157 0.00074630 -0.00754509
-1.96668675 -1.27558464 -11.81390911
-0.00083957 -0.00046123 0.00016733
-0.00530234 0.00813834 0.00447559
14.92979852 -8.05351809 -11.40271813
-0.00087926 -0.00056787 -0.00112595
0.01064515 0.01453148 0.02268771
17.04692222 -7.06297885 -9.19407205
-0.00009785 0.00005649 0.00027279
-0.01474201 0.00117428 -0.00802321
7.69539479 -3.35321910 5.62920039
0.00075655 -0.00098185 -0.00023789
-0.02642893 0.00785955 -0.02022479
10.50602111 -4.19944983 5.07114825
-0.00056934 -0.00015785 0.00040539
-0.01858451 0.01215578 0.00657853
-20.88070384 0.87231674 22.92011625
0.00048176 -0.00039751 -0.00006203
-0.00937826 0.00818593 0.00861209
-23.26748850 0.78877018 24.71177573
-0.00077150 -0.00006288 -0.00057295
-0.00943607 -0.00683934 0.00618541
25.98757404 -2.55718526 -7.84360748
0.00056534 -0.00026855 0.00075595
-0.01371147 0.00326976 0.01072396
23.61070327 -0.73505950 -7.41213587
-0.00010665 -0.00012599 -0.00032045
0.00869783 -0.00550487 -0.00123733
10.86917815 -12.60168976 -8.65159080
-0.00047808 0.00126721 -0.00029342
0.01779889 0.00868220 -0.02308034
13.09043938 -10.60307057 -9.41945903
0.00029621 -0.00098898 0.00001164
-0.01361890 -0.01383939 -0.00659473
-5.52920505 -10.43101734 18.18227991
0.00026814 -0.00002620 0.00024718
-0.01752582 0.00693301 0.01721981
-5.81049742 -9.90050671 15.14205473
0.00141093 0.00006657 -0.00017380
0.01833765 -0.00775075 0.03449772
9.14585478 1.10113137 -31.70473533
-0.00064420 -0.00015336 0.00061963
-0.00175734 0.00021537 0.00364290
6.90573886 2.80459927 -32.25792361
0.00025356 0.00036971 -0.00118138
-0.00345474 0.00227338 0.00728473
11.40602984 17.68112040 12.91974960
-0.00001903 -0.00003194 -0.00060697
-0.00614157 0.00163703 0.02233242
11.99566460 15.38003764 14.38290798
0.00076059 -0.00068218 -0.00027067
0.00465152 -0.00263275 0.00644649
31.09305196 5.51453532 -7.89313627
0.00018061 -0.00010122 -0.00037032
-0.00386770 -0.01273920 -0.00565222
28.69909414 7.38017287 -7.66753453
-0.00051833 0.00011941 -0.00056090
0.05344249 -0.00414663 0.00718234
-8.36244236 4.81504181 5.66632313
0.00014362 -0.00003340 0.00004017
0.00605955 0.00130776 -0.00016879
-10.73316451 10.12063941 3.34431210
-0.00002415 -0.00005579 -0.00005788
-0.00689127 -0.00012235 0.00637207
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08240846
0.31079877
414.12377714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3138745968 (a.u.)
total exchange computation time: 2.7966029644 s
-153.9400133483
-931.39018435
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3139390245 (a.u.)
total exchange computation time: 2.7963869572 s
-153.9401933472
Anderson extrapolation: theta=1.3465477262 (1.3465477262)
-931.39043370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3139587973 (a.u.)
total exchange computation time: 2.7974209785 s
-153.9408893107
Anderson extrapolation: theta=0.0508098444 (0.0508098444)
-931.39058319
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3139006246 (a.u.)
total exchange computation time: 2.7975180149 s
-153.9413761173
Anderson extrapolation: theta=1.9361873832 (1.9361873832)
-931.39058896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3137625551 (a.u.)
total exchange computation time: 2.7957708836 s
-153.9424537204
Anderson extrapolation: theta=0.2212701845 (0.2212701845)
-931.39059536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3137212182 (a.u.)
total exchange computation time: 2.7950799465 s
-153.9427160885
Anderson extrapolation: theta=1.9056326553 (1.9056326553)
-931.39059666
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3136549736 (a.u.)
total exchange computation time: 2.7966308594 s
-153.9430697711
Anderson extrapolation: theta=0.2828790029 (0.2828790029)
-931.39059845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3136500722 (a.u.)
total exchange computation time: 2.7965049744 s
-153.9430257295
Anderson extrapolation: theta=1.3046762825 (1.3046762825)
-931.39059889
-123.031631 -12.363489 -36.338359
566.933084 1067.065121 -418.180849
443.901453 1054.701631 -454.519208
1231.272407
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0587209302
ExchangeOperator: pair fraction: ispin=0: 0.1440995133
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3136545444 (a.u.)
total exchange computation time: 2.7984719276 s
677.85642488
-1082.03752317
90.00218429
-390.23804533
-174.65998539
77.35936527
551.60419304
0.00000000
-931.39059928
5.29130166 -31.37177429 -3.77547513
-0.00048932 -0.00012978 0.00007509
-0.02238655 0.01857524 0.01862775
-11.86046166 -0.89824292 -11.79781761
0.00005374 0.00015907 0.00012761
0.00269705 -0.02175115 0.01449892
-37.85862635 2.44241361 3.16549343
0.00008710 0.00029784 -0.00016078
0.01804578 0.02492614 0.00465825
-10.04540159 -2.62073156 2.59767189
-0.00016110 0.00013449 0.00033617
-0.02679271 0.01647577 -0.01440720
0.93608145 -0.43449047 8.93449365
0.00024137 -0.00024887 0.00000126
-0.00370828 -0.00767934 -0.03519620
-32.37770801 2.68419662 1.80489061
-0.00000115 -0.00025652 -0.00003497
-0.03849851 0.02230398 -0.01510286
14.19534123 13.90949469 -14.59873290
0.00015429 0.00028693 -0.00016078
-0.05687743 0.00096837 0.00162200
-4.42088837 7.00341525 3.92567308
-0.00038846 -0.00003050 -0.00011634
-0.01664522 0.00349105 0.05827785
5.96393377 16.63476590 -8.23195024
0.00013826 -0.00013210 0.00043648
-0.00669586 -0.01056367 -0.00751362
6.66463773 7.34599923 -20.95445354
-0.00009360 0.00020338 0.00005563
0.02064698 0.00810857 -0.02578069
23.32670509 17.07477169 -2.04240647
0.00010591 -0.00009534 0.00007918
0.00249821 -0.00982952 -0.00183893
1.44397392 12.93319008 -20.83994827
0.00010515 -0.00001915 0.00011658
0.01713348 -0.00255477 0.01654437
10.43210006 -3.52178943 -1.75662224
-0.00007211 -0.00014789 -0.00030756
0.01937180 0.05720807 -0.00111887
-17.73619189 -2.75078536 4.78707189
0.00016231 -0.00024905 0.00003216
0.00677367 0.00440769 -0.01823192
-15.18780320 0.03324660 18.45582607
0.00022654 -0.00020953 -0.00024581
0.01134484 0.00342083 0.00689264
2.38432620 2.84920958 -2.76715217
-0.00057574 0.00011544 0.00016259
0.02642646 -0.00754139 -0.02831701
23.51364415 -7.98515772 -9.79222414
0.00026789 -0.00009177 -0.00009613
0.01017532 -0.00666316 0.00596917
1.66753965 -7.81823516 6.77959317
0.00028799 0.00014148 0.00013357
-0.01209567 0.01279183 0.02948402
-3.43021611 -0.84811238 -17.90421299
0.00040448 0.00026072 0.00024934
-0.00586062 -0.03743503 -0.00204604
2.94046493 4.22444757 -10.44116718
-0.00047571 -0.00006317 0.00027595
-0.01022255 0.01323520 -0.02923783
-2.62762359 16.88924873 13.99914920
0.00006486 0.00014968 0.00019664
0.01032501 -0.01043335 0.00956104
-2.24339673 2.13937519 -6.99258216
0.00002444 -0.00006040 0.00000655
-0.02021898 -0.02101784 -0.04052132
-6.83566460 -2.06028314 -4.57506981
-0.00028012 -0.00012077 -0.00007669
-0.03662924 0.01642798 0.02581848
0.35281279 28.34289831 7.32926028
-0.00012002 -0.00000910 -0.00028675
-0.02995141 -0.01433233 -0.02298031
10.16869142 -9.17300375 -1.64077728
0.00008571 -0.00010333 -0.00024933
0.02214469 -0.00490252 0.02759159
-6.99872508 0.68219401 7.79391134
-0.00031233 0.00047116 0.00015571
-0.02209653 0.02079212 -0.04971077
18.90359131 11.60719722 6.47053137
0.00025478 0.00001601 0.00036096
0.00276454 0.02405918 0.01586342
-3.41491717 -3.71513956 -23.21731247
-0.00011347 0.00037403 0.00010527
-0.02512322 0.04319646 -0.01528173
-13.63857808 8.36749520 8.53997021
0.00006470 0.00008447 0.00021184
0.01444160 0.00740340 -0.00106576
-12.31024461 7.30475484 -2.95661317
-0.00017008 -0.00012097 -0.00018145
-0.01050703 -0.01712886 -0.00350383
-3.61266251 -16.50939751 20.57304248
-0.00020772 -0.00016454 0.00017259
0.04227829 0.02579254 0.01079619
-3.67634673 7.17444794 -7.85022234
-0.00035828 0.00031144 -0.00007638
-0.00650075 0.02007832 0.02747273
-20.64238557 29.75453160 1.29718033
0.00016727 0.00016231 -0.00007062
-0.04687894 0.01012523 0.01550566
9.87633828 3.10507588 7.37358521
-0.00015960 0.00001827 -0.00016633
-0.02556692 0.03778158 0.02185142
6.43183334 14.67791457 -12.81726896
0.00013838 0.00008980 0.00039466
0.01803035 -0.07784871 0.01179401
14.14237507 3.59459106 -2.69854213
-0.00025023 -0.00026382 0.00009440
-0.01592368 0.02407672 -0.03251206
-6.17430924 10.90827038 -0.31852420
0.00026800 -0.00030798 -0.00002130
-0.02071585 0.00876036 -0.00751376
6.26142398 13.48633252 3.16384947
0.00013473 0.00049704 0.00013470
0.05911416 -0.02626167 0.00231621
21.80688995 -12.13590097 -11.78846976
-0.00008134 -0.00002464 0.00004734
0.02483288 -0.01888565 -0.00773752
16.89577480 -6.30817016 3.37313243
0.00031618 0.00000303 -0.00017015
0.01958406 0.05043491 -0.03123220
15.38918317 6.99843584 9.59452188
0.00006756 -0.00026912 -0.00033635
0.01945745 -0.02142769 -0.01734900
3.00722827 -13.71348056 16.14638512
-0.00000225 -0.00000765 -0.00043563
-0.01441612 0.02571143 0.01358127
-3.59167239 -1.21824834 -10.89940483
0.00007704 -0.00022668 -0.00015502
-0.00033494 -0.00009608 0.01049532
15.32567287 -7.76965048 -9.53136128
-0.00006645 0.00014443 0.00004243
-0.00669671 -0.01586189 -0.02203545
9.24927282 -3.81771319 6.38919925
0.00032981 -0.00053785 0.00015601
0.02733422 -0.01872222 0.03084343
-21.66342643 1.58369537 24.43142637
-0.00012502 0.00008299 -0.00003211
0.02130561 0.00344865 -0.01212317
24.88519750 -1.74837639 -6.56592932
-0.00004513 -0.00001448 -0.00021305
0.00184545 -0.00176167 -0.00699689
11.95070613 -11.93712010 -10.08487668
0.00031136 -0.00017096 -0.00006423
-0.00752960 0.00103342 0.03015963
-4.69695881 -10.51104187 16.59620270
0.00005495 -0.00036506 -0.00001918
-0.00031148 -0.00166127 -0.04113326
8.23667277 2.57227950 -31.02228506
0.00010530 0.00019062 -0.00047988
-0.00661000 -0.00654164 -0.00465661
11.01473428 16.89910290 14.57924728
0.00012959 -0.00019470 -0.00020475
0.00910839 0.00950638 -0.02741002
30.64257656 7.21718691 -7.37034486
-0.00004220 -0.00004797 0.00030537
-0.06111746 0.02481858 -0.01738144
5.45224937 -30.16175464 -5.14058053
-0.00021492 0.00015459 -0.00074884
0.00743441 0.00089360 -0.01140956
4.15945700 -30.38736624 -2.63555786
0.00065899 0.00038329 0.00056207
0.01083022 -0.01739054 -0.00851891
-12.60571312 -1.93424820 -13.14697654
0.00047521 -0.00024608 0.00057104
0.00440130 -0.00360398 -0.00147327
-11.79659825 0.74107687 -12.55272315
-0.00038869 -0.00044012 -0.00126976
0.00087797 0.01843466 -0.01700713
-37.84247643 4.33318546 2.79030441
-0.00007807 -0.00025074 0.00061110
-0.01779360 -0.03377255 0.00227782
-39.49668833 1.69529409 3.46437647
0.00037948 -0.00017257 -0.00000772
-0.00387432 0.01181522 -0.00507726
-10.25481030 -3.40669537 0.95031578
-0.00103420 0.00070706 0.00045883
-0.00209149 0.00777512 -0.00108181
-8.65839240 -3.39223658 3.32243465
-0.00032864 0.00044233 -0.00086905
0.04642407 -0.02055586 0.01829112
0.72600615 -0.68100026 7.08884000
0.00096886 -0.00039335 -0.00112104
-0.00131885 -0.00703504 0.01979178
1.77156160 1.16408385 8.87288188
-0.00045268 -0.00018485 0.00034883
0.00448930 0.01057323 0.01477498
-32.80771023 0.92663965 1.87020942
-0.00037606 0.00053401 -0.00054764
0.00724708 -0.02205013 0.01154998
-34.11909344 3.37155357 1.48998722
-0.00012806 0.00012714 -0.00047080
0.02984738 -0.00482801 0.01035954
12.67603129 13.00695836 -15.35237324
0.00107137 0.00042644 0.00021494
0.03581202 0.01586046 0.01320794
15.51966305 12.71295078 -14.60075016
0.00003567 -0.00059672 -0.00074056
0.02432595 -0.02100893 -0.01606864
-4.06090124 8.75229412 4.35666640
-0.00059176 -0.00032135 0.00030583
-0.00160950 0.00185906 0.00403345
-3.82553681 6.77175064 2.31783209
-0.00034633 -0.00134200 -0.00053386
0.01952732 -0.01140668 -0.05675379
6.18359676 15.71017882 -9.90005876
0.00035746 -0.00014466 -0.00029983
0.00119893 0.01313259 0.01539684
7.67890349 17.04614694 -7.69138788
0.00049179 -0.00001172 0.00018683
0.00175609 -0.00635855 -0.00389760
7.55343494 7.32241534 -22.65030005
-0.00064624 -0.00023249 0.00046535
-0.01105193 -0.01004164 0.01643133
7.74492334 8.61671186 -20.14788617
-0.00048151 0.00051320 -0.00080862
-0.00238120 -0.00781305 0.00850393
21.54082134 17.43234267 -2.35859494
-0.00050884 -0.00072095 0.00079355
0.00281633 0.00079174 0.00932009
24.20357830 17.78685551 -3.45605839
-0.00097801 0.00001739 0.00009373
0.00519258 0.00957112 -0.00957736
0.99468058 11.16400961 -20.82389706
-0.00069481 -0.00034607 0.00098107
-0.00737409 -0.00192102 -0.00953572
0.74084152 13.89999166 -22.18236191
0.00024827 0.00031844 0.00024045
-0.00865299 0.00186432 -0.01087609
10.08586930 -5.20119678 -1.73860218
0.00103894 0.00039165 -0.00010767
-0.01469088 -0.07718578 -0.00148507
9.99460977 -2.94712924 -3.40359803
0.00073160 -0.00033782 -0.00081667
-0.01113901 0.00648809 -0.00938456
-18.45947886 -4.26294161 5.45030371
0.00047642 -0.00012949 0.00103262
-0.01130991 -0.01663811 0.01399330
-17.59031032 -3.22309938 3.01841035
-0.00083135 0.00024117 -0.00049778
0.00027278 0.00584475 0.00338787
-15.36133514 0.53934717 16.72059416
0.00015663 0.00056505 -0.00039329
0.00195212 0.00329044 -0.00845927
-13.84022853 1.09241017 19.12336679
-0.00021443 0.00041368 0.00064296
-0.01048019 -0.00396883 -0.00325500
3.14568593 4.12952275 -3.86112283
-0.00012259 0.00089512 0.00098749
-0.01345573 0.00526959 0.01181601
3.50604492 1.46725024 -3.37634041
0.00068787 0.00073645 -0.00029126
-0.01416129 0.00322469 0.01565472
23.39297104 -9.73234625 -10.45519401
-0.00003480 -0.00093124 -0.00045695
-0.00916677 0.00510307 0.00536562
25.01497431 -7.92934987 -8.74000128
-0.00011083 0.00038241 -0.00062470
-0.00332136 0.00483379 -0.00517565
2.36194318 -9.16921808 5.79665410
-0.00016578 0.00022599 0.00031243
0.00611355 -0.00251214 0.00265937
1.90268500 -8.09633767 8.63886799
-0.00087266 0.00071735 0.00013207
0.00381977 0.00417358 -0.03676896
-3.32155571 -2.72970370 -18.02159910
0.00030635 0.00067777 -0.00027641
-0.00100225 0.02721817 0.00303157
-5.01558180 -0.59912658 -16.96828181
0.00062675 -0.00037352 0.00027768
0.00655857 0.00692177 0.00129520
2.10364917 4.95522549 -12.00522443
0.00050996 0.00058983 -0.00058478
0.01047434 -0.01235715 0.02984238
1.71808701 4.37073440 -9.09286768
-0.00017178 0.00033176 0.00084717
-0.00070829 -0.00282557 -0.00391352
-1.09885537 15.88266272 13.62606745
-0.00021649 -0.00147535 0.00044003
0.00150862 -0.00179157 -0.01795903
-2.39804323 17.01542219 15.79144372
-0.00042482 -0.00034450 -0.00067726
-0.01209089 0.00522789 0.00884846
-2.12549664 1.37207142 -5.38301523
-0.00065073 0.00063671 0.00064624
0.00164913 -0.00579077 0.01682069
-3.14785219 0.83317762 -8.16018374
-0.00013404 0.00083386 0.00029259
0.02221440 0.02959879 0.01819738
-8.43293211 -3.04218643 -4.29755323
0.00039795 0.00063577 0.00063024
0.02643186 0.00900185 -0.00741641
-7.38549777 -0.35647718 -3.92862391
-0.00004617 0.00023677 -0.00027886
0.01255477 -0.02119024 -0.01578299
1.33206638 28.21237988 5.75720843
-0.00007982 0.00021451 0.00096909
-0.01087945 0.00321759 0.00805147
-1.50204358 28.07814095 6.76462755
0.00078750 -0.00010199 0.00077140
0.04600244 0.00974649 0.00837027
8.40644903 -9.41912869 -1.93496353
0.00027020 -0.00011624 0.00007795
-0.01870182 0.00171430 -0.00555410
10.46246880 -9.62301664 0.19151100
0.00115092 0.00085156 0.00004806
-0.00126114 0.00525033 -0.02827768
-5.88754468 0.33072960 9.11598684
-0.00005381 -0.00098489 -0.00002772
0.02131305 -0.01809869 0.03693604
-8.56758284 -0.20322095 8.00301067
0.00054365 -0.00005730 0.00024990
0.00026515 -0.00514679 0.01074830
19.49495196 11.24953663 8.19685175
-0.00013253 -0.00070856 -0.00058359
0.00152425 -0.00929931 -0.01113816
19.64096096 13.31191556 6.24700341
0.00016070 -0.00063213 0.00033264
-0.00500177 -0.01734331 -0.00869434
-2.86686492 -1.99964021 -22.74031446
-0.00085472 -0.00044647 -0.00065864
0.00603799 -0.01971745 0.00926235
-4.85941295 -3.05527257 -24.30184485
-0.00035009 0.00105884 -0.00056166
0.00914336 -0.02260453 0.00127651
-12.47415889 9.08756098 9.78213221
-0.00015889 -0.00028195 0.00079234
-0.00515387 -0.00335544 0.00355925
-12.84207107 9.04034414 7.01201230
0.00018416 0.00040448 0.00019618
-0.00705088 -0.00603807 -0.00558229
-13.14032387 7.45400374 -4.69283316
-0.00087586 0.00020952 -0.00038483
0.00852086 -0.01099341 0.01045626
-12.00397490 9.01780243 -2.57758388
-0.00076139 -0.00060365 -0.00037645
0.01194349 0.02867859 0.01061734
-5.10714666 -17.23599467 19.91004892
-0.00131932 -0.00017351 0.00002613
-0.02174042 -0.01509447 -0.01438486
-2.27358300 -16.31653726 19.31349356
-0.00053849 0.00100125 -0.00007299
-0.01643285 -0.00718247 0.00993588
-3.27356857 5.47028966 -7.26378487
0.00058505 0.00004546 -0.00034291
-0.00425304 0.00036540 0.00043282
-4.36283560 8.26068907 -6.37186828
-0.00117162 0.00002399 0.00089884
0.01905193 -0.01959731 -0.03854134
-21.17983020 28.04408377 1.05493211
-0.00010133 0.00013348 0.00135670
-0.00018700 -0.01019752 -0.00353959
-18.94492409 29.88130093 0.85381302
-0.00085604 0.00068751 -0.00074840
0.04349923 -0.00404156 -0.00711197
8.25997026 2.67894233 6.47004750
0.00074792 0.00009044 0.00004066
0.02357213 0.01009450 0.00395388
9.54461605 4.75603429 8.38560536
0.00066417 0.00034752 0.00073988
-0.00058643 -0.03572170 -0.03067718
7.36111493 15.93683332 -13.61231455
0.00069767 0.00146513 0.00129758
0.02276116 0.03871335 -0.02722273
7.53186833 13.13346771 -13.25641049
0.00121144 0.00069395 -0.00022915
-0.03530182 0.03560004 0.01368058
12.92189204 4.98988453 -3.05064228
0.00023016 -0.00093861 0.00054425
0.01570989 -0.00861452 -0.00600563
13.16368998 2.85238869 -1.39302090
0.00121062 -0.00007411 -0.00014269
-0.00092599 -0.01343583 0.03321644
-4.86898057 9.77175844 -0.77908018
-0.00023638 0.00079855 -0.00100856
0.01367041 -0.01800813 -0.00159249
-7.72801249 9.90126525 -0.40148349
0.00082147 -0.00022918 0.00044846
0.01262502 0.00909365 0.00740450
4.91224420 13.22906734 2.00714518
0.00056994 0.00003229 -0.00051817
-0.01891731 -0.00644940 -0.01123541
7.71250883 12.25061367 2.71440829
0.00011906 0.00002331 0.00022769
-0.04021048 0.03549362 0.01590636
21.24573346 -13.14017722 -10.36716519
0.00011919 -0.00012348 -0.00096676
-0.00801334 -0.00285414 0.00170328
22.83225798 -13.34337143 -12.87921812
0.00008600 0.00102352 -0.00008860
-0.02577055 0.01724517 0.01303845
17.47350269 -5.63913787 1.67392652
-0.00078112 0.00131558 -0.00079524
-0.00771905 -0.01173988 0.02884548
16.34755889 -7.94491002 2.99432977
-0.00039065 0.00020174 0.00058747
-0.01093040 -0.03287735 -0.00387264
14.42507562 8.17941753 10.51548939
0.00025544 -0.00025493 -0.00100307
-0.01808231 0.01684717 0.01595423
16.76071213 6.55698700 10.72979531
0.00023573 0.00004875 -0.00005779
-0.00602673 0.00248714 0.00068578
1.26658108 -13.32913395 15.68575800
-0.00102696 0.00023924 0.00175663
0.00587888 -0.01058530 -0.00379706
3.29808235 -12.21924296 17.25028521
-0.00059497 0.00058905 -0.00046066
0.01142310 -0.01536169 -0.00910132
-3.51647037 -2.68495309 -9.74742473
-0.00025212 -0.00038038 0.00055627
-0.00068636 0.00365037 -0.01005739
-1.97944281 -1.28225363 -11.81126197
-0.00085020 -0.00042900 0.00017963
0.00009851 0.00763833 0.00154584
14.91693575 -8.06159081 -11.41891216
-0.00083205 -0.00050576 -0.00102213
0.01246618 0.01587042 0.02813511
17.04500278 -7.06209545 -9.19022602
-0.00015774 0.00006180 0.00023851
-0.01457508 0.00142485 -0.00875594
7.70593322 -3.36770595 5.62501225
0.00064382 -0.00094825 -0.00032125
-0.02875261 0.00858700 -0.02057920
10.49691152 -4.20144513 5.07743065
-0.00063517 -0.00011153 0.00042486
-0.01363819 0.01051884 0.00295282
-20.87376480 0.86660493 22.91944977
0.00044052 -0.00036136 -0.00002193
-0.01080973 0.00951132 0.01101344
-23.27935019 0.78761734 24.70337108
-0.00080181 -0.00008679 -0.00054884
-0.00540181 -0.00486302 0.00561294
25.99563392 -2.56111338 -7.83193962
0.00050993 -0.00025587 0.00079656
-0.01341047 0.00294059 0.00915689
23.60937009 -0.73711802 -7.41698060
-0.00007014 -0.00014915 -0.00032621
0.00917292 -0.00583140 -0.00158100
10.86255240 -12.58241553 -8.65669933
-0.00040638 0.00130003 -0.00038554
0.01729934 0.00738409 -0.02201558
13.09446521 -10.61832928 -9.41948655
0.00024559 -0.00103937 -0.00001311
-0.01116051 -0.01083153 -0.00552130
-5.52572004 -10.43119792 18.18651524
0.00019715 0.00000296 0.00031367
-0.01722421 0.00734349 0.01533102
-5.78877162 -9.89974559 15.14050480
0.00148009 0.00003669 -0.00003658
0.01552112 -0.00687566 0.03267339
9.13613797 1.09883764 -31.69532925
-0.00064735 -0.00015713 0.00063116
0.00021352 -0.00206177 0.00199940
6.90943642 2.81021464 -32.27542115
0.00024356 0.00037805 -0.00114741
-0.00144072 0.00180962 0.00934765
11.40555616 17.68069148 12.91132945
-0.00004453 -0.00002785 -0.00051143
-0.00633971 0.00036413 0.02443311
12.00721605 15.36972430 14.37904544
0.00077383 -0.00068272 -0.00024386
0.00182602 0.00236960 0.00667594
31.09564254 5.51262662 -7.89886431
0.00016374 -0.00014931 -0.00039170
-0.00438727 -0.01080058 -0.00481100
28.69295683 7.38183690 -7.67572799
-0.00029555 0.00010169 -0.00053001
0.05561038 -0.00452454 0.00794027
-8.36027173 4.81454431 5.66692517
0.00014578 -0.00003295 0.00004009
0.00598784 0.00118848 -0.00023465
-10.73353870 10.11980234 3.34345497
-0.00002572 -0.00005580 -0.00005639
-0.00665395 0.00003280 0.00650873
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08263012
0.30796915
410.35345596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3194895663 (a.u.)
total exchange computation time: 2.8550980091 s
-153.9615530654
-931.38859838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3195019817 (a.u.)
total exchange computation time: 2.8564758301 s
-153.9622786181
Anderson extrapolation: theta=1.3480079559 (1.3480079559)
-931.38885102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3194669626 (a.u.)
total exchange computation time: 2.8578941822 s
-153.9636478153
Anderson extrapolation: theta=0.0521706495 (0.0521706495)
-931.38900320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3194194768 (a.u.)
total exchange computation time: 2.8574109077 s
-153.9641116644
Anderson extrapolation: theta=1.9735572477 (1.9735572477)
-931.38900930
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3193094260 (a.u.)
total exchange computation time: 2.8550570011 s
-153.9651118487
Anderson extrapolation: theta=0.2231862614 (0.2231862614)
-931.38901623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3192811976 (a.u.)
total exchange computation time: 2.8563630581 s
-153.9653171706
Anderson extrapolation: theta=1.8561387561 (1.8561387561)
-931.38901764
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3192437724 (a.u.)
total exchange computation time: 2.8565561771 s
-153.9655341822
Anderson extrapolation: theta=0.2715992363 (0.2715992363)
-931.38901953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3192483352 (a.u.)
total exchange computation time: 2.8561618328 s
-153.9654410884
Anderson extrapolation: theta=1.2917970789 (1.2917970789)
-931.38901999
-123.057551 -12.376838 -36.351693
566.944923 1067.093075 -418.177845
443.887373 1054.716237 -454.529538
1231.283656
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0588662791
ExchangeOperator: pair fraction: ispin=0: 0.1448350460
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3192642095 (a.u.)
total exchange computation time: 2.8583331108 s
677.95319548
-1082.23098289
89.98788102
-390.10484268
-174.67500711
77.46659136
551.60419304
0.00000000
-931.38902039
5.28387550 -31.37364937 -3.77427691
-0.00050035 -0.00011943 0.00008337
-0.02048704 0.02169735 0.01356577
-11.85964511 -0.89594070 -11.79584760
0.00005521 0.00014818 0.00013506
0.00301492 -0.02060928 0.01448849
-37.85725031 2.44697730 3.16309964
0.00009645 0.00030968 -0.00015825
0.01832727 0.02112987 0.00518886
-10.04792149 -2.61865068 2.60265893
-0.00017626 0.00014391 0.00032843
-0.03214194 0.02017320 -0.01569389
0.93968766 -0.43825319 8.93437677
0.00023909 -0.00025354 -0.00001838
-0.00514036 -0.01047654 -0.04119144
-32.37787375 2.68043492 1.80430781
-0.00002100 -0.00024358 -0.00004289
-0.03870968 0.02798049 -0.01568980
14.19743625 13.91380232 -14.60113831
0.00012726 0.00028691 -0.00015937
-0.04826840 -0.00103508 0.00386584
-4.42677941 7.00297116 3.92415275
-0.00039662 -0.00002952 -0.00008807
-0.01508813 0.00035222 0.05165330
5.96598179 16.63274365 -8.22543202
0.00013539 -0.00013776 0.00043210
-0.00445391 -0.01145664 -0.00953091
6.66331342 7.34908123 -20.95371851
-0.00008374 0.00020717 0.00004278
0.01770149 0.00660992 -0.02420676
23.32830339 17.07330361 -2.04122592
0.00010607 -0.00010069 0.00007896
-0.00189517 -0.01094716 0.00098630
1.44561722 12.93289292 -20.83813577
0.00011376 -0.00002134 0.00012510
0.01634472 -0.00594869 0.01660488
10.43109314 -3.52378713 -1.76124002
-0.00006200 -0.00011653 -0.00030852
0.01994691 0.06473728 -0.00261502
-17.73373107 -2.75450411 4.78748400
0.00016573 -0.00024700 0.00002249
0.00649592 0.00356776 -0.01937168
-15.18436131 0.03011687 18.45216551
0.00023267 -0.00020717 -0.00024271
0.01246871 0.00576665 0.00514322
2.37579197 2.85091212 -2.76482251
-0.00056144 0.00011147 0.00014758
0.02919158 -0.00791192 -0.03007476
23.51770178 -7.98655999 -9.79364302
0.00027183 -0.00009643 -0.00009425
0.00514714 -0.01146204 0.00134735
1.67181283 -7.81606368 6.78171052
0.00028129 0.00014879 0.00014859
-0.01395692 0.01563395 0.02892324
-3.42417151 -0.84434595 -17.90048076
0.00040164 0.00024201 0.00024814
-0.00519430 -0.03533748 -0.00260971
2.93328978 4.22355103 -10.43714067
-0.00048113 -0.00005616 0.00026072
-0.01081993 0.01403500 -0.02999866
-2.62661089 16.89145375 14.00213569
0.00007064 0.00014347 0.00019943
0.01214527 -0.01372055 0.00130238
-2.24310807 2.13838805 -6.99264014
0.00001445 -0.00007077 -0.00001328
-0.01863917 -0.01930060 -0.03660931
-6.84000767 -2.06203130 -4.57612056
-0.00029776 -0.00011129 -0.00006344
-0.03197213 0.02042706 0.02572451
0.35089697 28.34270658 7.32487040
-0.00013491 -0.00001607 -0.00029628
-0.02797427 -0.01280328 -0.01410103
10.17006248 -9.17457260 -1.64441079
0.00009773 -0.00010568 -0.00023494
0.02458718 -0.00423586 0.02836711
-7.00349533 0.68934167 7.79605524
-0.00032223 0.00048200 0.00013106
-0.01639546 0.02134011 -0.04615361
18.90742363 11.60753012 6.47600696
0.00025520 0.00002754 0.00036780
-0.00110473 0.02077378 0.01072201
-3.41671611 -3.70936251 -23.21579235
-0.00012784 0.00039475 0.00009626
-0.03075851 0.03737668 -0.01975074
-13.63755181 8.36879079 8.54314377
0.00007230 0.00008836 0.00021126
0.01509647 0.00772613 -0.00122699
-12.31283634 7.30287422 -2.95934840
-0.00017593 -0.00013086 -0.00018394
-0.01222425 -0.02133386 -0.00619029
-3.61561522 -16.51176612 20.57567300
-0.00018785 -0.00015218 0.00017741
0.03499394 0.02226607 0.00795295
-3.68174599 7.17919696 -7.85126206
-0.00036180 0.00032149 -0.00006140
-0.00719328 0.01901533 0.03076076
-20.64005731 29.75700537 1.29618091
0.00014148 0.00016760 -0.00006210
-0.05340623 0.01044149 0.01761691
9.87384573 3.10549567 7.37117458
-0.00017133 0.00003832 -0.00015407
-0.02005277 0.04019228 0.02582149
6.43397854 14.67896129 -12.81130350
0.00014912 0.00005152 0.00039950
0.02373797 -0.07100990 0.00699203
14.13856021 3.59072664 -2.69725149
-0.00025633 -0.00025161 0.00007643
-0.00780188 0.02339247 -0.03737556
-6.17036912 10.90368448 -0.31887269
0.00025693 -0.00030189 -0.00002467
-0.02234568 0.01492689 -0.00560495
6.26367288 13.49368675 3.16587896
0.00016484 0.00048324 0.00013545
0.05799701 -0.02739463 0.00057029
21.80576568 -12.13634337 -11.78778953
-0.00006840 -0.00003303 0.00004248
0.02548919 -0.01376253 -0.01115022
16.90059298 -6.30793019 3.37045968
0.00032641 0.00002960 -0.00018668
0.02021380 0.05287849 -0.03305198
15.39027160 6.99431633 9.58940967
0.00007832 -0.00028075 -0.00034543
0.02238150 -0.02379298 -0.01795317
3.00713884 -13.71349612 16.13990301
-0.00001068 0.00000638 -0.00042840
-0.01836344 0.02885564 0.01452855
-3.59051804 -1.22164893 -10.90168960
0.00007529 -0.00022729 -0.00014834
-0.00646202 -0.00227849 0.01546628
15.32465029 -7.76754522 -9.53080976
-0.00007042 0.00013590 0.00002999
-0.00873070 -0.01731565 -0.02636885
9.25432534 -3.82585309 6.39165832
0.00034276 -0.00054714 0.00017288
0.02302838 -0.01744030 0.03478308
-21.66521948 1.58495352 24.43089799
-0.00011481 0.00008399 -0.00003867
0.01836523 0.00044670 -0.01339708
24.88452763 -1.74860035 -6.56915202
-0.00004441 -0.00001522 -0.00021606
0.00096379 -0.00111036 -0.00471117
11.95534742 -11.93968053 -10.08572377
0.00030700 -0.00017091 -0.00004938
-0.00939888 -0.00082347 0.02759867
-4.69613568 -10.51652415 16.59575630
0.00005532 -0.00036627 -0.00003894
0.00174148 -0.00304503 -0.03571389
8.23822682 2.57511356 -31.02950117
0.00010097 0.00018804 -0.00048242
-0.01022381 -0.00348357 -0.00521534
11.01671327 16.89621910 14.57607030
0.00013500 -0.00019073 -0.00021927
0.01192233 0.00592134 -0.02903593
30.64170778 7.21656313 -7.36583137
-0.00007385 -0.00003570 0.00029590
-0.06195898 0.02289716 -0.01942944
5.44925335 -30.15940847 -5.15216268
-0.00018629 0.00015069 -0.00078566
0.00657890 -0.00280254 -0.00661735
4.16967374 -30.38214981 -2.62738786
0.00070140 0.00031356 0.00052745
0.00993005 -0.01674153 -0.00842778
-12.59845015 -1.93804979 -13.13845609
0.00049174 -0.00026328 0.00056361
0.00369322 -0.00481648 -0.00216209
-11.80240169 0.73503999 -12.57229069
-0.00038487 -0.00036467 -0.00133727
0.00099243 0.01849705 -0.01604148
-37.84419269 4.32838943 2.79954074
-0.00015093 -0.00038147 0.00061876
-0.01787150 -0.03021887 0.00147206
-39.49111486 1.69306760 3.46410502
0.00036319 -0.00012426 -0.00002816
-0.00409740 0.01183086 -0.00492578
-10.27038736 -3.39585121 0.95716505
-0.00104314 0.00073715 0.00045100
-0.00228420 0.00695379 -0.00275167
-8.66189936 -3.38623159 3.30995942
-0.00012822 0.00035226 -0.00078906
0.05167907 -0.02353248 0.02086200
0.74049865 -0.68711615 7.07263087
0.00096487 -0.00041982 -0.00102726
-0.00063701 -0.00591941 0.02611552
1.76490904 1.16163507 8.87856703
-0.00043257 -0.00013791 0.00040868
0.00535300 0.01240632 0.01452219
-32.81312901 0.93397418 1.86234871
-0.00034865 0.00043346 -0.00049971
0.00616767 -0.02717033 0.01191136
-34.12009966 3.37331268 1.48324266
-0.00000331 0.00010682 -0.00042776
0.03121376 -0.00511847 0.01070850
12.69319923 13.01384103 -15.34874438
0.00120626 0.00048708 0.00026434
0.03021553 0.01382137 0.01097255
15.52094347 12.70335625 -14.61235101
0.00012923 -0.00067446 -0.00080528
0.02147244 -0.01704475 -0.01561286
-4.06982691 8.74753081 4.36137748
-0.00059667 -0.00031131 0.00031998
-0.00079633 0.00305690 0.00289125
-3.83013335 6.75127118 2.30808510
-0.00027156 -0.00138442 -0.00075077
0.01707319 -0.00935904 -0.04942364
6.18899534 15.70841136 -9.90408435
0.00036122 -0.00008898 -0.00023164
0.00064122 0.01412209 0.01798234
7.68633415 17.04577625 -7.68870485
0.00049541 -0.00003868 0.00017017
0.00001448 -0.00683657 -0.00425685
7.54340273 7.31862032 -22.64281631
-0.00068827 -0.00027357 0.00052633
-0.00952465 -0.01006913 0.01341947
7.73762769 8.62417049 -20.15975489
-0.00048836 0.00048471 -0.00077106
-0.00097056 -0.00613506 0.00988432
21.53327508 17.42155265 -2.34640617
-0.00049242 -0.00071816 0.00083211
0.00522048 0.00057363 0.00955934
24.18906728 17.78740958 -3.45494595
-0.00095298 0.00005948 0.00004839
0.00706054 0.01103359 -0.01261419
0.98403249 11.15875963 -20.80947319
-0.00072303 -0.00034577 0.00094118
-0.00644280 0.00207190 -0.00998985
0.74430041 13.90482536 -22.17908847
0.00021287 0.00032473 0.00019670
-0.00867634 0.00121331 -0.01054137
10.10100316 -5.19768720 -1.74026270
0.00097706 0.00006296 -0.00011406
-0.01559591 -0.08371225 -0.00164621
10.00524239 -2.95199767 -3.41613565
0.00068684 -0.00031330 -0.00085119
-0.01076783 0.00551193 -0.00751519
-18.45267910 -4.26539387 5.46622174
0.00043185 -0.00019504 0.00108644
-0.01050629 -0.01544531 0.01235494
-17.60277218 -3.21930269 3.01104750
-0.00083125 0.00026436 -0.00047837
-0.00022679 0.00550646 0.00611121
-15.35892589 0.54792374 16.71443552
0.00016543 0.00057708 -0.00042184
0.00235658 0.00259858 -0.00551509
-13.84376618 1.09849374 19.13291141
-0.00026067 0.00039452 0.00062723
-0.01215435 -0.00540835 -0.00444510
3.14343478 4.14311099 -3.84594837
-0.00017934 0.00091476 0.00103741
-0.01432524 0.00434677 0.01261822
3.51592908 1.47839577 -3.38022967
0.00062633 0.00075189 -0.00022562
-0.01596545 0.00433296 0.01647840
23.39216813 -9.74615848 -10.46188390
-0.00007098 -0.00090025 -0.00043065
-0.00854524 0.01006537 0.00751137
25.01321006 -7.92346567 -8.74953042
-0.00011660 0.00040172 -0.00064056
0.00049811 0.00462312 -0.00258822
2.35964377 -9.16590519 5.80142205
-0.00013850 0.00021157 0.00032112
0.00724374 -0.00454524 0.00159654
1.88971216 -8.08544952 8.63972236
-0.00085551 0.00073269 -0.00001461
0.00457381 0.00333679 -0.03503121
-3.31699113 -2.71870311 -18.02565239
0.00030345 0.00078291 -0.00026444
-0.00041643 0.02424685 0.00282715
-5.00597956 -0.60451729 -16.96407689
0.00065033 -0.00034366 0.00028444
0.00498348 0.00769456 0.00201305
2.11161956 4.96369422 -12.01308169
0.00055235 0.00053727 -0.00045675
0.01027290 -0.01336842 0.03282936
1.71548866 4.37562426 -9.08028004
-0.00017292 0.00032079 0.00082652
0.00015022 -0.00254502 -0.00619565
-1.10205655 15.86047760 13.63211757
-0.00021528 -0.00147781 0.00036740
-0.00091323 0.00058880 -0.01759115
-2.40478602 17.01041493 15.78155592
-0.00047220 -0.00032141 -0.00062497
-0.01110443 0.00607391 0.01674695
-2.13520712 1.38144460 -5.37280626
-0.00064462 0.00061485 0.00070980
0.00134360 -0.00490690 0.01429656
-3.14918201 0.84659250 -8.15523728
-0.00004573 0.00094967 0.00036444
0.02101100 0.02709253 0.01697315
-8.42615293 -3.03237398 -4.28832688
0.00049621 0.00066563 0.00060112
0.02166631 0.00561222 -0.00683976
-7.38580564 -0.35357501 -3.93329043
0.00000563 0.00014909 -0.00034394
0.01280248 -0.02172853 -0.01607675
1.33053575 28.21569616 5.77199153
-0.00011722 0.00022621 0.00098862
-0.00743134 0.00251072 0.00150744
-1.48882146 28.07690979 6.77645508
0.00096473 -0.00006412 0.00080107
0.04075265 0.00879167 0.00615421
8.40992895 -9.42081971 -1.93396451
0.00019095 -0.00010988 0.00005596
-0.02008956 0.00139905 -0.00520870
10.47969391 -9.61008242 0.19136532
0.00114340 0.00087227 -0.00006975
-0.00241825 0.00488809 -0.02939132
-5.88769873 0.31540168 9.11670285
0.00002981 -0.00105680 0.00011675
0.01961985 -0.01710403 0.03378501
-8.55941990 -0.20423823 8.00708849
0.00053731 -0.00008174 0.00029325
-0.00337022 -0.00681479 0.01047176
19.49301071 11.23862331 8.18775655
-0.00012274 -0.00074764 -0.00061814
0.00326878 -0.00983167 -0.00577395
19.64321814 13.30190211 6.25172657
0.00014377 -0.00069475 0.00029649
-0.00328174 -0.01330686 -0.00899958
-2.87950074 -2.00694148 -22.74991024
-0.00082297 -0.00051127 -0.00061505
0.00950361 -0.01200010 0.01207474
-4.86438417 -3.04008266 -24.31023059
-0.00030851 0.00096229 -0.00055339
0.01120998 -0.02465507 0.00276951
-12.47670017 9.08322892 9.79412636
-0.00018068 -0.00029585 0.00080439
-0.00551346 -0.00345029 0.00234129
-12.83952470 9.04622632 7.01478389
0.00015486 0.00037912 0.00017590
-0.00729409 -0.00637546 -0.00434399
-13.15320068 7.45680963 -4.69828522
-0.00083865 0.00016302 -0.00033874
0.00969651 -0.01176836 0.01210360
-12.01502974 9.00962647 -2.58290536
-0.00071057 -0.00047716 -0.00033013
0.01293268 0.03323702 0.01205935
-5.12760269 -17.23905988 19.91000010
-0.00139324 -0.00022788 -0.00002661
-0.01444447 -0.01152021 -0.01143114
-2.28216398 -16.30173854 19.31270313
-0.00060587 0.00097130 -0.00003263
-0.01654855 -0.00748019 0.00982380
-3.26492310 5.47098278 -7.26891530
0.00056605 0.00005154 -0.00034252
-0.00504832 0.00260833 -0.00024012
-4.37982612 8.26044832 -6.35956666
-0.00109057 -0.00005897 0.00073562
0.02062365 -0.02101191 -0.04135572
-21.18135591 28.04577357 1.07517414
-0.00010133 0.00009092 0.00134175
0.00018890 -0.01063692 -0.00377893
-18.95643174 29.89148969 0.84236908
-0.00066620 0.00067106 -0.00078138
0.04943073 -0.00400875 -0.00902924
8.27191136 2.68060833 6.47077857
0.00083418 0.00013056 0.00005259
0.01865129 0.00954468 0.00188373
9.55456060 4.76015244 8.39576349
0.00066038 0.00019767 0.00061083
-0.00126861 -0.03762751 -0.03249286
7.37227741 15.95999650 -13.59368507
0.00078061 0.00160930 0.00119528
0.01783746 0.03185864 -0.02285327
7.54895816 13.14496791 -13.25942860
0.00106568 0.00083975 -0.00017254
-0.03604937 0.03576871 0.01403201
12.92582587 4.97554136 -3.04266255
0.00028649 -0.00096474 0.00051684
0.01186224 -0.00417307 -0.00741013
13.18182094 2.85086534 -1.39414336
0.00119794 -0.00013639 0.00000563
-0.00528461 -0.01705029 0.03938559
-4.87210734 9.78318493 -0.79425738
-0.00017020 0.00071656 -0.00101823
0.01872435 -0.02212799 -0.00314056
-7.71530356 9.89810620 -0.39452976
0.00086597 -0.00019620 0.00047822
0.00915726 0.00704988 0.00716330
4.92021366 13.22935403 1.99902829
0.00049477 0.00000707 -0.00056107
-0.01788232 -0.00589465 -0.00976045
7.71306252 12.25205094 2.71831111
-0.00004501 0.00016958 0.00029331
-0.04009960 0.03610777 0.01621230
21.24727573 -13.14211694 -10.38161437
0.00008304 -0.00014179 -0.00094988
-0.00968245 -0.00610618 0.00656033
22.83275835 -13.32749017 -12.88014753
-0.00001627 0.00109005 -0.00003777
-0.02429372 0.01532103 0.01183925
17.46154933 -5.61976387 1.66288187
-0.00081405 0.00126226 -0.00067182
-0.00839830 -0.01436200 0.03156856
16.34136421 -7.94289134 3.00302322
-0.00043504 0.00006784 0.00056969
-0.01079895 -0.03266650 -0.00483493
14.42835305 8.17610980 10.50093217
0.00017819 -0.00018189 -0.00093447
-0.01972798 0.01890804 0.01762619
16.76406345 6.55779447 10.72894949
0.00020855 0.00005955 -0.00005674
-0.00728159 0.00279929 -0.00017316
1.25135688 -13.32586966 15.71199102
-0.00099752 0.00019272 0.00174048
0.00853079 -0.01218975 -0.00410376
3.28950780 -12.21087792 17.24309636
-0.00054571 0.00052337 -0.00049914
0.01269038 -0.01679116 -0.00973305
-3.52027318 -2.69054689 -9.73938885
-0.00025429 -0.00036013 0.00051050
-0.00037475 0.00625876 -0.01234834
-1.99219283 -1.28845450 -11.80852009
-0.00083814 -0.00039891 0.00017955
0.00580775 0.00708665 -0.00158531
14.90483698 -8.06869090 -11.43338189
-0.00077784 -0.00043853 -0.00089814
0.01406914 0.01703836 0.03255425
17.04219010 -7.06112472 -9.18691661
-0.00021646 0.00006829 0.00020147
-0.01416846 0.00175115 -0.00937905
7.71470952 -3.38166653 5.61956289
0.00052407 -0.00091241 -0.00040465
-0.02986971 0.00895596 -0.02024769
10.48696610 -4.20279578 5.08389402
-0.00067965 -0.00007223 0.00042845
-0.00813703 0.00871829 -0.00119349
-20.86748825 0.86147602 22.91945826
0.00039393 -0.00032025 0.00002692
-0.01199472 0.01061324 0.01290049
-23.29154293 0.78616646 24.69531042
-0.00081525 -0.00010243 -0.00052702
-0.00117723 -0.00279274 0.00507182
26.00287193 -2.56486128 -7.81971057
0.00045630 -0.00024489 0.00083031
-0.01284191 0.00243391 0.00736135
23.60859908 -0.73953392 -7.42192223
-0.00003210 -0.00017334 -0.00033356
0.00944984 -0.00601308 -0.00201763
10.85698686 -12.56268875 -8.66315710
-0.00033753 0.00132721 -0.00047230
0.01640232 0.00592066 -0.02045217
13.09780705 -10.63425181 -9.41985244
0.00020582 -0.00107670 -0.00003304
-0.00830773 -0.00744109 -0.00423320
-5.52329065 -10.43092845 18.19169014
0.00012834 0.00003364 0.00037087
-0.01645565 0.00767296 0.01266649
-5.76609459 -9.89940586 15.14095730
0.00153690 0.00001099 0.00009170
0.01228717 -0.00570868 0.03012314
9.12643426 1.09641755 -31.68580063
-0.00064256 -0.00017027 0.00063600
0.00213291 -0.00437339 0.00037134
6.91304569 2.81594090 -32.29234582
0.00024149 0.00038448 -0.00110528
0.00042718 0.00133704 0.01127318
11.40469395 17.68028487 12.90440673
-0.00007049 -0.00002842 -0.00040861
-0.00636978 -0.00064361 0.02589542
12.01887942 15.35955618 14.37559204
0.00077579 -0.00066328 -0.00021625
-0.00086528 0.00714177 0.00684155
31.09796424 5.51005600 -7.90488721
0.00014461 -0.00018876 -0.00040934
-0.00497782 -0.00850801 -0.00382635
28.69022766 7.38322363 -7.68343481
-0.00006621 0.00008268 -0.00049636
0.05665452 -0.00478092 0.00853210
-8.35806896 4.81405319 5.66752594
0.00014792 -0.00003255 0.00004000
0.00594303 0.00108983 -0.00030245
-10.73393606 10.11896539 3.34262050
-0.00002723 -0.00005578 -0.00005486
-0.00640232 0.00015242 0.00662897
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08264898
0.30637141
408.22454583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.258 s
total exchange = -52.3262708530 (a.u.)
total exchange computation time: 2.8049659729 s
-153.9852842951
-931.38832028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3261968426 (a.u.)
total exchange computation time: 2.8052809238 s
-153.9866744519
Anderson extrapolation: theta=1.3432649148 (1.3432649148)
-931.38857113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3260307682 (a.u.)
total exchange computation time: 2.8060729504 s
-153.9890211051
Anderson extrapolation: theta=0.0503815854 (0.0503815854)
-931.38872118
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3259646971 (a.u.)
total exchange computation time: 2.8046288490 s
-153.9896033844
Anderson extrapolation: theta=1.9340029227 (1.9340029227)
-931.38872694
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3258144113 (a.u.)
total exchange computation time: 2.8085649014 s
-153.9908556392
Anderson extrapolation: theta=0.2232333864 (0.2232333864)
-931.38873332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3257728649 (a.u.)
total exchange computation time: 2.8057138920 s
-153.9911470024
Anderson extrapolation: theta=1.9085505347 (1.9085505347)
-931.38873464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3257083950 (a.u.)
total exchange computation time: 2.8070309162 s
-153.9915406001
Anderson extrapolation: theta=0.2832307348 (0.2832307348)
-931.38873644
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.260 s
total exchange = -52.3257058255 (a.u.)
total exchange computation time: 2.8045170307 s
-153.9914936215
Anderson extrapolation: theta=1.2961127073 (1.2961127073)
-931.38873689
-123.079192 -12.396852 -36.355513
566.959093 1067.118264 -418.172512
443.879901 1054.721411 -454.528026
1231.284836
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0590116279
ExchangeOperator: pair fraction: ispin=0: 0.1454407788
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3257143917 (a.u.)
total exchange computation time: 2.8043048382 s
678.06095315
-1082.44753024
89.97178556
-389.95623995
-174.69199140
77.58665434
551.60419304
0.00000000
-931.38873728
5.27629129 -31.37535707 -3.77297403
-0.00051031 -0.00010759 0.00008899
-0.01826684 0.02434798 0.00829385
-11.85880531 -0.89379747 -11.79376582
0.00005685 0.00013810 0.00014239
0.00334481 -0.01858055 0.01400185
-37.85573288 2.45170399 3.16074589
0.00010591 0.00031935 -0.00015541
0.01845102 0.01649150 0.00585012
-10.05068936 -2.61641416 2.60752489
-0.00019362 0.00015495 0.00032037
-0.03536483 0.02274816 -0.01567706
0.94325423 -0.44209672 8.93394211
0.00023619 -0.00025951 -0.00004084
-0.00615216 -0.01274654 -0.04612829
-32.37833813 2.67688907 1.80360397
-0.00004078 -0.00022802 -0.00005106
-0.03819311 0.03256243 -0.01608031
14.19915889 13.91810197 -14.60351389
0.00010508 0.00028584 -0.00015670
-0.03797565 -0.00312520 0.00648340
-4.43278685 7.00252978 3.92303092
-0.00040379 -0.00003027 -0.00006373
-0.01282368 -0.00330403 0.04299579
5.96799545 16.63063301 -8.21898732
0.00013366 -0.00014382 0.00042679
-0.00228414 -0.01210402 -0.01111117
6.66212566 7.35221422 -20.95317022
-0.00007547 0.00021017 0.00003086
0.01442498 0.00506418 -0.02211882
23.32988706 17.07175109 -2.04003775
0.00010409 -0.00010656 0.00008010
-0.00580437 -0.01189323 0.00344286
1.44738662 12.93254986 -20.83619518
0.00012190 -0.00002518 0.00013356
0.01530705 -0.00899873 0.01628584
10.43024011 -3.52528540 -1.76587797
-0.00005184 -0.00008238 -0.00031030
0.01954459 0.06806795 -0.00428543
-17.73122014 -2.75819532 4.78774667
0.00016891 -0.00024553 0.00001239
0.00590447 0.00215425 -0.01991309
-15.18082322 0.02703162 18.44854462
0.00023928 -0.00020363 -0.00024060
0.01325627 0.00797688 0.00308474
2.36748294 2.85255363 -2.76272487
-0.00054584 0.00010735 0.00013176
0.03149831 -0.00808587 -0.03143110
23.52179912 -7.98805069 -9.79505151
0.00027314 -0.00010343 -0.00009471
-0.00006720 -0.01576233 -0.00315234
1.67597835 -7.81377158 6.78405100
0.00027366 0.00015752 0.00016306
-0.01570808 0.01832802 0.02731420
-3.41816699 -0.84085213 -17.89676867
0.00039914 0.00022458 0.00024666
-0.00450440 -0.03242197 -0.00315686
2.92603115 4.22276276 -10.43334558
-0.00048675 -0.00004885 0.00024527
-0.01103294 0.01441205 -0.03008843
-2.62550450 16.89355293 14.00513224
0.00007733 0.00013559 0.00019801
0.01390185 -0.01693435 -0.00684942
-2.24296319 2.13725201 -6.99298055
0.00000540 -0.00008016 -0.00003079
-0.01654076 -0.01719764 -0.03146396
-6.84459739 -2.06362187 -4.57697286
-0.00031275 -0.00009982 -0.00005036
-0.02631114 0.02419567 0.02511996
0.34876534 28.34241608 7.32037174
-0.00014855 -0.00002219 -0.00030108
-0.02506076 -0.01098425 -0.00455694
10.17162322 -9.17617414 -1.64782547
0.00011077 -0.00010767 -0.00022035
0.02613848 -0.00349715 0.02834865
-7.00839206 0.69665396 7.79784308
-0.00032896 0.00049296 0.00010858
-0.00977031 0.02126892 -0.04125198
18.91124743 11.60802328 6.48156526
0.00025354 0.00003728 0.00037193
-0.00534864 0.01712402 0.00534587
-3.41875235 -3.70329712 -23.21442460
-0.00014502 0.00041221 0.00008500
-0.03606742 0.03053894 -0.02403536
-13.63640908 8.37014598 8.54630787
0.00008019 0.00009239 0.00021059
0.01559285 0.00793958 -0.00137668
-12.31552238 7.30082901 -2.96213139
-0.00018254 -0.00014259 -0.00018766
-0.01351355 -0.02427811 -0.00825866
-3.61829796 -16.51396296 20.57836488
-0.00017191 -0.00014167 0.00018084
0.02699923 0.01860705 0.00539053
-3.68720075 7.18409269 -7.85206448
-0.00036558 0.00033086 -0.00004495
-0.00749378 0.01741711 0.03322372
-20.63814106 29.75955970 1.29531741
0.00011285 0.00017299 -0.00005264
-0.05795051 0.01048953 0.01916660
9.87119848 3.10622552 7.36896316
-0.00018003 0.00005945 -0.00013980
-0.01379699 0.04198974 0.02966589
6.43630688 14.67946019 -12.80528410
0.00016281 0.00001729 0.00040183
0.02950640 -0.06210543 0.00206746
14.13468516 3.58704269 -2.69624920
-0.00025832 -0.00024001 0.00005619
0.00008386 0.02173611 -0.04134035
-6.16660139 10.89921373 -0.31926441
0.00024533 -0.00029272 -0.00002712
-0.02276676 0.02071705 -0.00388985
6.26636921 13.50082964 3.16791284
0.00019399 0.00046901 0.00013520
0.05536058 -0.02793965 -0.00152287
21.80483805 -12.13689195 -11.78719533
-0.00005526 -0.00003869 0.00003604
0.02561062 -0.00824837 -0.01388992
16.90556710 -6.30728228 3.36753195
0.00033676 0.00005694 -0.00020404
0.02002746 0.05346969 -0.03442768
15.39153270 6.99001327 9.58415896
0.00009035 -0.00029335 -0.00035467
0.02439823 -0.02520413 -0.01796107
3.00690774 -13.71328906 16.13353299
-0.00002113 0.00002189 -0.00042073
-0.02224699 0.03146248 0.01530528
-3.58941354 -1.22506711 -10.90385504
0.00007036 -0.00022893 -0.00013917
-0.01272767 -0.00407687 0.02020937
15.32356036 -7.76557354 -9.53046167
-0.00007544 0.00012665 0.00001552
-0.01078629 -0.01866205 -0.02987848
9.25955553 -3.83412753 6.39438573
0.00035306 -0.00055565 0.00019171
0.01702924 -0.01565017 0.03843977
-21.66687084 1.58621512 24.43026626
-0.00010620 0.00008351 -0.00004577
0.01511538 -0.00232135 -0.01420676
24.88386520 -1.74883288 -6.57241107
-0.00004415 -0.00001561 -0.00021782
0.00003687 -0.00043787 -0.00214563
11.95991621 -11.94224732 -10.08635794
0.00030171 -0.00017185 -0.00003601
-0.01116825 -0.00283704 0.02438883
-4.69529913 -10.52202993 16.59503438
0.00005675 -0.00036824 -0.00005556
0.00380993 -0.00462533 -0.02889520
8.23970201 2.57792074 -31.03675752
0.00009486 0.00018702 -0.00048520
-0.01353820 -0.00047554 -0.00562875
11.01878425 16.89338098 14.57266931
0.00014176 -0.00018859 -0.00023444
0.01435436 0.00241200 -0.02996097
30.64036101 7.21611600 -7.36146777
-0.00010564 -0.00002453 0.00028539
-0.06166257 0.02054310 -0.02145751
5.44666054 -30.15723406 -5.16415038
-0.00016121 0.00013203 -0.00080308
0.00570015 -0.00632890 -0.00191077
4.18049906 -30.37795941 -2.61973437
0.00073952 0.00024714 0.00049382
0.00873120 -0.01577163 -0.00803467
-12.59096085 -1.94214656 -13.13006815
0.00050545 -0.00028539 0.00055347
0.00301849 -0.00600640 -0.00280535
-11.80814432 0.73013671 -12.59284135
-0.00038066 -0.00029079 -0.00139997
0.00107018 0.01766817 -0.01464735
-37.84700423 4.32174140 2.80886728
-0.00022392 -0.00049591 0.00062289
-0.01785908 -0.02580213 0.00055082
-39.48579251 1.69156618 3.46353169
0.00034616 -0.00007599 -0.00004796
-0.00424034 0.01180041 -0.00476814
-10.28610441 -3.38458087 0.96384568
-0.00105285 0.00076379 0.00043627
-0.00247204 0.00608755 -0.00445553
-8.66223910 -3.38166882 3.29876275
0.00008924 0.00025241 -0.00070116
0.05477210 -0.02534287 0.02216932
0.75495211 -0.69359482 7.05802226
0.00096337 -0.00044184 -0.00090965
-0.00009541 -0.00485809 0.03145228
1.75858454 1.15994664 8.88514218
-0.00040949 -0.00008445 0.00046742
0.00594471 0.01376225 0.01423335
-32.81816980 0.93964353 1.85521801
-0.00032540 0.00031356 -0.00045045
0.00521524 -0.03152046 0.01220480
-34.11919289 3.37475809 1.47715438
0.00012528 0.00008592 -0.00038363
0.03173658 -0.00511205 0.01089500
12.71221897 13.02157077 -15.34444305
0.00131608 0.00053814 0.00030359
0.02354211 0.01117504 0.00823935
15.52353986 12.69271711 -14.62490871
0.00020983 -0.00073452 -0.00086791
0.01798289 -0.01235603 -0.01504129
-4.07880138 8.74295484 4.36626575
-0.00059825 -0.00029645 0.00032943
0.00002378 0.00421630 0.00173498
-3.83368354 6.73021814 2.29530912
-0.00020829 -0.00141746 -0.00093365
0.01389539 -0.00681667 -0.04010017
6.19443322 15.70750938 -9.90700786
0.00036273 -0.00002988 -0.00015387
0.00009929 0.01480955 0.02008536
7.69376570 17.04498657 -7.68628271
0.00049203 -0.00006750 0.00015218
-0.00166683 -0.00727354 -0.00455237
7.53278679 7.31420820 -22.63451016
-0.00072351 -0.00031474 0.00057399
-0.00772500 -0.01008406 0.00991031
7.73027257 8.63125312 -20.17101784
-0.00048933 0.00046324 -0.00072795
0.00049487 -0.00437299 0.01121610
21.52604877 17.41079779 -2.33363154
-0.00046645 -0.00071614 0.00087148
0.00749051 0.00041633 0.00971025
24.17498898 17.78863986 -3.45460658
-0.00092106 0.00010709 -0.00000842
0.00856141 0.01227081 -0.01519808
0.97298955 11.15363664 -20.79566157
-0.00074732 -0.00032942 0.00089944
-0.00544748 0.00593163 -0.01044454
0.74722756 13.90973342 -22.17646106
0.00017783 0.00032791 0.00015509
-0.00847652 0.00034521 -0.00982580
10.11518121 -5.19930803 -1.74202412
0.00091346 -0.00028358 -0.00012129
-0.01553677 -0.08592208 -0.00189059
10.01521510 -2.95652830 -3.42913386
0.00064371 -0.00029306 -0.00087751
-0.01034863 0.00439902 -0.00536807
-18.44652322 -4.26879272 5.48289696
0.00039117 -0.00025436 0.00113280
-0.00940817 -0.01359297 0.01034016
-17.61524794 -3.21516853 3.00405918
-0.00083311 0.00028595 -0.00044830
-0.00068321 0.00505960 0.00860740
-15.35637221 0.55665957 16.70793889
0.00017587 0.00058611 -0.00043803
0.00275469 0.00182075 -0.00241089
-13.84804872 1.10424586 19.14218360
-0.00031305 0.00036994 0.00060693
-0.01348277 -0.00662447 -0.00548796
3.14030569 4.15696562 -3.83000057
-0.00023932 0.00093088 0.00109017
-0.01503644 0.00354199 0.01320974
3.52483479 1.48980685 -3.38310902
0.00055802 0.00077122 -0.00015705
-0.01747261 0.00512992 0.01708652
23.39084152 -9.75935383 -10.46811345
-0.00010455 -0.00085002 -0.00039599
-0.00788810 0.01452573 0.00945263
25.01147633 -7.91729813 -8.75921818
-0.00010647 0.00042022 -0.00064569
0.00445917 0.00442942 0.00008069
2.35778829 -9.16287085 5.80628784
-0.00010688 0.00018934 0.00032573
0.00823426 -0.00633970 0.00065634
1.87701963 -8.07435686 8.63842980
-0.00083518 0.00074442 -0.00015230
0.00537783 0.00240200 -0.03236947
-3.31245206 -2.70621653 -18.02953241
0.00030304 0.00087426 -0.00025348
0.00021307 0.02047403 0.00253912
-4.99607189 -0.60943643 -16.95974859
0.00066732 -0.00031066 0.00029425
0.00333435 0.00845945 0.00279097
2.12021953 4.97134365 -12.01892697
0.00059319 0.00048125 -0.00031809
0.00971847 -0.01405530 0.03504773
1.71289952 4.38035814 -9.06807211
-0.00017064 0.00031097 0.00079676
0.00096414 -0.00226096 -0.00837052
-1.10531369 15.83832855 13.63708959
-0.00022382 -0.00147038 0.00029654
-0.00326778 0.00304552 -0.01709569
-2.41220937 17.00577992 15.77269448
-0.00051554 -0.00029513 -0.00054089
-0.01010701 0.00678967 0.02441181
-2.14483526 1.39051705 -5.36172110
-0.00063979 0.00059714 0.00076168
0.00102350 -0.00376399 0.01109657
-3.14922413 0.86166778 -8.14925061
0.00003661 0.00105396 0.00043022
0.01929367 0.02395805 0.01522536
-8.41804590 -3.02221758 -4.27951971
0.00057336 0.00068076 0.00057481
0.01610247 0.00179656 -0.00603814
-7.38532890 -0.35200450 -3.93894223
0.00005796 0.00006054 -0.00040968
0.01281371 -0.02161737 -0.01610207
1.32854969 28.21916631 5.78686701
-0.00013971 0.00023501 0.00098050
-0.00357389 0.00179437 -0.00548261
-1.47310176 28.07621744 6.78865978
0.00111761 -0.00003062 0.00082104
0.03408352 0.00760509 0.00361764
8.41217766 -9.42242498 -1.93328471
0.00010759 -0.00010459 0.00003562
-0.02071695 0.00118774 -0.00474816
10.49677082 -9.59684863 0.18941836
0.00113134 0.00089117 -0.00019070
-0.00348352 0.00436416 -0.02981458
-5.88665036 0.29902551 9.11948942
0.00010434 -0.00112362 0.00024573
0.01686110 -0.01560097 0.02935124
-8.55146351 -0.20567316 8.01180807
0.00051644 -0.00011283 0.00033537
-0.00684447 -0.00840568 0.01014808
19.49126979 11.22710745 8.17830748
-0.00010560 -0.00078910 -0.00063019
0.00511997 -0.01046311 -0.00012302
19.64527419 13.29107313 6.25589819
0.00013436 -0.00073984 0.00025906
-0.00132682 -0.00876783 -0.00932224
-2.89155412 -2.01497819 -22.75876600
-0.00077687 -0.00054300 -0.00055981
0.01306355 -0.00353546 0.01496738
-4.86866838 -3.02640377 -24.31844660
-0.00025930 0.00085799 -0.00053953
0.01287955 -0.02640158 0.00401545
-12.47957934 9.07868540 9.80626401
-0.00020382 -0.00031004 0.00081143
-0.00581356 -0.00349300 0.00110415
-12.83742535 9.05171778 7.01728924
0.00012470 0.00035252 0.00016063
-0.00746917 -0.00664582 -0.00313137
-13.16548322 7.45889427 -4.70299549
-0.00079688 0.00011359 -0.00028643
0.01074983 -0.01242768 0.01350612
-12.02529199 9.00348748 -2.58748775
-0.00065634 -0.00033482 -0.00027864
0.01361074 0.03644196 0.01314492
-5.14894396 -17.24283112 19.90925071
-0.00143699 -0.00026753 -0.00006699
-0.00696996 -0.00788586 -0.00833507
-2.29175916 -16.28739825 19.31251477
-0.00067274 0.00094036 0.00000654
-0.01618617 -0.00766613 0.00934797
-3.25658701 5.47183575 -7.27406044
0.00054377 0.00006668 -0.00034480
-0.00585816 0.00480433 -0.00087826
-4.39555269 8.25891984 -6.34979958
-0.00100385 -0.00014662 0.00056255
0.02182771 -0.02189262 -0.04336395
-21.18287004 28.04681146 1.09518456
-0.00009951 0.00004743 0.00132592
0.00070078 -0.01065351 -0.00397113
-18.96490998 29.90143276 0.83037177
-0.00045643 0.00065449 -0.00082112
0.05324944 -0.00410294 -0.01042511
8.28499552 2.68285928 6.47162508
0.00089902 0.00016798 0.00005525
0.01308907 0.00876812 -0.00058169
9.56442740 4.76196453 8.40393025
0.00065357 0.00004170 0.00047548
-0.00206374 -0.03872187 -0.03375999
7.38453308 15.98511218 -13.57645618
0.00084198 0.00172308 0.00111157
0.01220526 0.02384064 -0.01812344
7.56383866 13.15866025 -13.26158674
0.00091827 0.00098439 -0.00011506
-0.03610539 0.03503396 0.01410670
12.93048669 4.96094244 -3.03513697
0.00032612 -0.00097188 0.00048367
0.00753894 0.00067568 -0.00882624
13.19962803 2.84829704 -1.39285202
0.00116898 -0.00021220 0.00017737
-0.00888971 -0.02005875 0.04468369
-4.87408657 9.79325529 -0.80962705
-0.00008499 0.00061920 -0.00103389
0.02298677 -0.02553075 -0.00452710
-7.70203342 9.89537920 -0.38713702
0.00089544 -0.00017222 0.00050703
0.00527042 0.00468948 0.00694399
4.92708719 13.22927947 1.99031322
0.00042508 -0.00001555 -0.00059669
-0.01623087 -0.00517896 -0.00767582
7.71115865 12.25570111 2.72320752
-0.00020684 0.00031682 0.00035960
-0.03911993 0.03596851 0.01623698
21.24822461 -13.14443088 -10.39566149
0.00004018 -0.00017325 -0.00091356
-0.01129931 -0.00929275 0.01121794
22.83176985 -13.31066994 -12.88035135
-0.00011149 0.00114777 0.00000719
-0.02231519 0.01293313 0.01017063
17.44908127 -5.60127006 1.65377195
-0.00084910 0.00119884 -0.00053891
-0.00876117 -0.01668079 0.03349341
16.33450771 -7.94287467 3.01142036
-0.00047790 -0.00006205 0.00054868
-0.01018347 -0.03091613 -0.00544649
14.43042144 8.17396086 10.48745520
0.00009567 -0.00010222 -0.00086050
-0.02066652 0.02009085 0.01858622
16.76696851 6.55877349 10.72809305
0.00017660 0.00007148 -0.00005894
-0.00835621 0.00303895 -0.00090501
1.23665550 -13.32335244 15.73797255
-0.00095740 0.00013986 0.00172297
0.01110701 -0.01368299 -0.00446873
3.28171099 -12.20354194 17.23531101
-0.00049132 0.00045272 -0.00053968
0.01393621 -0.01778984 -0.01011149
-3.52409896 -2.69575711 -9.73210974
-0.00025516 -0.00032995 0.00045592
-0.00005258 0.00851697 -0.01436635
-2.00458692 -1.29422105 -11.80587536
-0.00080249 -0.00037115 0.00016648
0.01164257 0.00650261 -0.00481202
14.89360046 -8.07474678 -11.44585649
-0.00071751 -0.00036689 -0.00075802
0.01546611 0.01803146 0.03603950
17.03850908 -7.06004667 -9.18418200
-0.00027304 0.00007626 0.00016210
-0.01352834 0.00215068 -0.00989302
7.72165521 -3.39507824 5.61287263
0.00040228 -0.00087580 -0.00048525
-0.02974474 0.00896630 -0.01920309
10.47652199 -4.20361212 5.09028425
-0.00070081 -0.00004051 0.00041426
-0.00222187 0.00680925 -0.00575649
-20.86194681 0.85699756 22.92025738
0.00034306 -0.00027513 0.00008237
-0.01291039 0.01147100 0.01424242
-23.30380782 0.78454443 24.68756059
-0.00081139 -0.00010959 -0.00050729
0.00306656 -0.00071199 0.00458488
26.00932291 -2.56846001 -7.80703037
0.00040550 -0.00023631 0.00085633
-0.01202398 0.00176504 0.00537468
23.60840722 -0.74231835 -7.42698751
0.00000666 -0.00019798 -0.00034289
0.00952268 -0.00604783 -0.00254975
10.85242655 -12.54259912 -8.67086831
-0.00027318 0.00134812 -0.00055168
0.01509823 0.00431346 -0.01840274
13.10063974 -10.65063038 -9.42047778
0.00017840 -0.00109954 -0.00004733
-0.00511332 -0.00373831 -0.00275949
-5.52186975 -10.43018873 18.19764133
0.00006348 0.00006549 0.00041587
-0.01529411 0.00791634 0.00936110
-5.74266452 -9.89941599 15.14325593
0.00157971 -0.00000933 0.00020808
0.00866737 -0.00423423 0.02684362
9.11686126 1.09372943 -31.67624925
-0.00063015 -0.00019274 0.00063431
0.00393929 -0.00662384 -0.00119798
6.91668115 2.82174911 -32.30857959
0.00024664 0.00038898 -0.00105570
0.00209469 0.00086632 0.01299694
11.40344135 17.67983882 12.89907103
-0.00009625 -0.00003254 -0.00030116
-0.00623644 -0.00137252 0.02670603
12.03048975 15.34982576 14.37255794
0.00076719 -0.00062510 -0.00018811
-0.00334259 0.01155004 0.00693278
31.09998087 5.50696395 -7.91114461
0.00012297 -0.00021831 -0.00042273
-0.00561419 -0.00595967 -0.00272786
28.69097064 7.38431736 -7.69061874
0.00016518 0.00006287 -0.00046066
0.05661230 -0.00491560 0.00894387
-8.35583427 4.81356792 5.66812509
0.00015004 -0.00003217 0.00003988
0.00592264 0.00101172 -0.00037177
-10.73435571 10.11812896 3.34180911
-0.00002869 -0.00005573 -0.00005331
-0.00614131 0.00023620 0.00673265
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08273174
0.30600554
407.73703916
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3335197983 (a.u.)
total exchange computation time: 2.8654289246 s
-154.0125894721
-931.38910644
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3333865999 (a.u.)
total exchange computation time: 2.8607530594 s
-154.0144942865
Anderson extrapolation: theta=1.3440948013 (1.3440948013)
-931.38935458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3331405082 (a.u.)
total exchange computation time: 2.8611688614 s
-154.0175437820
Anderson extrapolation: theta=0.0505449754 (0.0505449754)
-931.38950293
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3330711104 (a.u.)
total exchange computation time: 2.8655819893 s
-154.0181615482
Anderson extrapolation: theta=1.9265367708 (1.9265367708)
-931.38950859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3329170015 (a.u.)
total exchange computation time: 2.8608620167 s
-154.0194653835
Anderson extrapolation: theta=0.2203225549 (0.2203225549)
-931.38951481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.258 s
total exchange = -52.3328768650 (a.u.)
total exchange computation time: 2.8620421886 s
-154.0197534560
Anderson extrapolation: theta=1.8924282073 (1.8924282073)
-931.38951608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3328166512 (a.u.)
total exchange computation time: 2.8640968800 s
-154.0201305462
Anderson extrapolation: theta=0.2807707660 (0.2807707660)
-931.38951780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3328159764 (a.u.)
total exchange computation time: 2.8610420227 s
-154.0200747476
Anderson extrapolation: theta=1.3017823251 (1.3017823251)
-931.38951823
-123.096329 -12.422487 -36.350258
566.975648 1067.140727 -418.164442
443.879319 1054.718241 -454.514700
1231.276991
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0593023256
ExchangeOperator: pair fraction: ispin=0: 0.1465224446
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3328270932 (a.u.)
total exchange computation time: 2.8155000210 s
678.17804482
-1082.68228355
89.95395694
-389.79581327
-174.71059646
77.71634029
551.60419304
0.00000000
-931.38951862
5.26856616 -31.37687693 -3.77160717
-0.00051906 -0.00009453 0.00009188
-0.01577079 0.02640775 0.00293963
-11.85793969 -0.89179759 -11.79157601
0.00005865 0.00012927 0.00014933
0.00365853 -0.01577329 0.01300809
-37.85407310 2.45655791 3.15843727
0.00011539 0.00032642 -0.00015220
0.01842347 0.01100214 0.00663519
-10.05373006 -2.61400215 2.61226991
-0.00021200 0.00016697 0.00031265
-0.03613253 0.02399942 -0.01432006
0.94677333 -0.44603859 8.93315159
0.00023287 -0.00026650 -0.00006556
-0.00673789 -0.01440465 -0.04999512
-32.37909716 2.67359444 1.80277608
-0.00006012 -0.00021044 -0.00005937
-0.03700576 0.03579246 -0.01625674
14.20058856 13.92237751 -14.60583945
0.00008856 0.00028374 -0.00015261
-0.02626330 -0.00505308 0.00944656
-4.43889322 7.00206292 3.92224078
-0.00040970 -0.00003299 -0.00004419
-0.01015752 -0.00726311 0.03300981
5.96999149 16.62842900 -8.21262834
0.00013301 -0.00015015 0.00042078
-0.00022606 -0.01251796 -0.01227568
6.66104919 7.35538628 -20.95279257
-0.00006897 0.00021238 0.00002016
0.01087380 0.00352380 -0.01950306
23.33142595 17.07010681 -2.03882303
0.00010025 -0.00011286 0.00008237
-0.00909368 -0.01259768 0.00539368
1.44927411 12.93213738 -20.83412895
0.00012945 -0.00003048 0.00014176
0.01405714 -0.01160457 0.01559929
10.42953785 -3.52625854 -1.77054898
-0.00004212 -0.00004768 -0.00031295
0.01825028 0.06685615 -0.00600734
-17.72866365 -2.76186992 4.78785571
0.00017173 -0.00024490 0.00000217
0.00504697 0.00027838 -0.01982871
-15.17718287 0.02400791 18.44494754
0.00024621 -0.00019901 -0.00023960
0.01369352 0.00998872 0.00081085
2.35941690 2.85413275 -2.76086971
-0.00052917 0.00010320 0.00011536
0.03330639 -0.00806704 -0.03234531
23.52589594 -7.98966299 -9.79648431
0.00027176 -0.00011250 -0.00009742
-0.00530263 -0.01949965 -0.00740435
1.68002267 -7.81133810 6.78660220
0.00026518 0.00016758 0.00017640
-0.01729030 0.02077909 0.02459224
-3.41219722 -0.83760845 -17.89308093
0.00039700 0.00020886 0.00024491
-0.00382014 -0.02870524 -0.00365447
2.91868741 4.22208568 -10.42978262
-0.00049239 -0.00004141 0.00022991
-0.01090855 0.01448685 -0.02963188
-2.62429085 16.89552146 14.00807593
0.00008491 0.00012610 0.00019252
0.01556133 -0.01998652 -0.01448650
-2.24294592 2.13598330 -6.99356370
-0.00000242 -0.00008833 -0.00004535
-0.01390426 -0.01458324 -0.02517703
-6.84939010 -2.06502578 -4.57763137
-0.00032458 -0.00008648 -0.00003773
-0.01971950 0.02765946 0.02398846
0.34644037 28.34204083 7.31583792
-0.00016038 -0.00002732 -0.00030083
-0.02094073 -0.00894138 0.00552959
10.17338561 -9.17780265 -1.65102144
0.00012437 -0.00010926 -0.00020599
0.02672791 -0.00270497 0.02751593
-7.01336417 0.70413034 7.79931268
-0.00033215 0.00050370 0.00008890
-0.00263265 0.02050454 -0.03529414
18.91502996 11.60864856 6.48716481
0.00024963 0.00004507 0.00037327
-0.00986121 0.01315065 -0.00011885
-3.42106683 -3.69699613 -23.21324228
-0.00016483 0.00042596 0.00007161
-0.04096165 0.02290587 -0.02805685
-13.63514605 8.37156241 8.54946134
0.00008829 0.00009649 0.00020984
0.01590066 0.00802454 -0.00151412
-12.31831267 7.29859650 -2.96497810
-0.00018971 -0.00015545 -0.00019226
-0.01434495 -0.02572615 -0.00964252
-3.62077241 -16.51601625 20.58109835
-0.00016016 -0.00013306 0.00018304
0.01866487 0.01489473 0.00316047
-3.69271331 7.18912278 -7.85261058
-0.00036941 0.00033930 -0.00002744
-0.00742906 0.01538998 0.03485875
-20.63667187 29.76219495 1.29460176
0.00008248 0.00017834 -0.00004256
-0.06015954 0.01033459 0.02002926
9.86844479 3.10727932 7.36698061
-0.00018535 0.00008135 -0.00012360
-0.00690243 0.04315215 0.03332732
6.43886284 14.67947996 -12.79924875
0.00017938 -0.00001196 0.00040168
0.03490989 -0.05165253 -0.00263147
14.13081076 3.58352643 -2.69556584
-0.00025639 -0.00022954 0.00003424
0.00741064 0.01896139 -0.04401316
-6.16300930 10.89490281 -0.31968615
0.00023386 -0.00028074 -0.00002876
-0.02180989 0.02587044 -0.00250646
6.26949263 13.50775698 3.16993497
0.00022142 0.00045466 0.00013381
0.05130218 -0.02785478 -0.00386984
21.80410799 -12.13750416 -11.78670828
-0.00004222 -0.00004146 0.00002842
0.02508251 -0.00249593 -0.01574159
16.91069572 -6.30622187 3.36433862
0.00034681 0.00008413 -0.00022197
0.01904628 0.05225379 -0.03530762
15.39298203 6.98551576 9.57876968
0.00010316 -0.00030640 -0.00036375
0.02540942 -0.02555128 -0.01734503
3.00650501 -13.71283929 16.12728105
-0.00003352 0.00003860 -0.00041271
-0.02594970 0.03349033 0.01590828
-3.58840724 -1.22851673 -10.90586457
0.00006223 -0.00023138 -0.00012765
-0.01889302 -0.00546453 0.02455748
15.32238721 -7.76374584 -9.53034408
-0.00008151 0.00011673 -0.00000055
-0.01285320 -0.01989313 -0.03262495
9.26491708 -3.84252271 6.39740969
0.00035990 -0.00056313 0.00021231
0.00957219 -0.01342688 0.04166240
-21.66840559 1.58745880 24.42952493
-0.00009931 0.00008169 -0.00005316
0.01168569 -0.00477219 -0.01453823
24.88320306 -1.74906879 -6.57568666
-0.00004438 -0.00001567 -0.00021820
-0.00091187 0.00023189 0.00066031
11.96439883 -11.94483600 -10.08680395
0.00029556 -0.00017385 -0.00002444
-0.01275782 -0.00493938 0.02056949
-4.69443318 -10.52757138 16.59408954
0.00005926 -0.00037108 -0.00006835
0.00594648 -0.00641180 -0.02083990
8.24107275 2.58072426 -31.04405730
0.00008716 0.00018751 -0.00048817
-0.01642767 0.00238066 -0.00590342
11.02096596 16.89056147 14.56903719
0.00014965 -0.00018821 -0.00024990
0.01634288 -0.00094045 -0.03015834
30.63853853 7.21582735 -7.35726970
-0.00013698 -0.00001465 0.00027385
-0.06021828 0.01784894 -0.02339889
5.44441706 -30.15544753 -5.17625519
-0.00013973 0.00009954 -0.00080172
0.00481568 -0.00957529 0.00257925
4.19185948 -30.37473559 -2.61257329
0.00077219 0.00018532 0.00046241
0.00725772 -0.01448909 -0.00734097
-12.58328655 -1.94661144 -13.12185214
0.00051651 -0.00031225 0.00054083
0.00239517 -0.00714078 -0.00337759
-11.81382135 0.72631626 -12.61428969
-0.00037618 -0.00022195 -0.00145610
0.00112062 0.01602942 -0.01283127
-37.85091029 4.31351206 2.81822758
-0.00029669 -0.00059052 0.00062303
-0.01776304 -0.02050723 -0.00048218
-39.48073003 1.69078797 3.46266613
0.00032869 -0.00002795 -0.00006711
-0.00431421 0.01171626 -0.00460473
-10.30197296 -3.37293745 0.97025325
-0.00106330 0.00078685 0.00041462
-0.00264032 0.00519761 -0.00614223
-8.65922208 -3.37865921 3.28892475
0.00031425 0.00014789 -0.00061067
0.05537190 -0.02581986 0.02212277
0.76939972 -0.70037123 7.04534125
0.00096382 -0.00045966 -0.00077235
0.00031419 -0.00386480 0.03576096
1.75262438 1.15910163 8.89258964
-0.00038461 -0.00002660 0.00052489
0.00623309 0.01455709 0.01389659
-32.82289098 0.94338112 1.84883530
-0.00030563 0.00017797 -0.00040011
0.00446175 -0.03485375 0.01243716
-34.11634112 3.37589021 1.47173382
0.00025429 0.00006566 -0.00033908
0.03141331 -0.00480559 0.01091031
12.73268151 13.02998537 -15.33963676
0.00139650 0.00057713 0.00033065
0.01582427 0.00790824 0.00500881
15.52723835 12.68132071 -14.63838824
0.00027537 -0.00077443 -0.00092793
0.01410199 -0.00717885 -0.01433832
-4.08777439 8.73863727 4.37126035
-0.00059651 -0.00027703 0.00033416
0.00082922 0.00528933 0.00057974
-3.83638214 6.70874733 2.28007555
-0.00015898 -0.00143927 -0.00107572
0.01024551 -0.00386020 -0.02944128
6.19987719 15.70751503 -9.90870042
0.00036206 0.00003144 -0.00006848
-0.00042436 0.01520638 0.02171085
7.70109509 17.04375112 -7.68413957
0.00048200 -0.00009800 0.00013313
-0.00324344 -0.00765646 -0.00476953
7.52169742 7.30917807 -22.62559663
-0.00075087 -0.00035596 0.00060637
-0.00566816 -0.01009398 0.00594138
7.72294777 8.63806775 -20.18159340
-0.00048429 0.00044903 -0.00067958
0.00197369 -0.00258439 0.01246233
21.51928153 17.40006843 -2.32026181
-0.00043161 -0.00071462 0.00091126
0.00956371 0.00032775 0.00976305
24.16143537 17.79062217 -3.45519864
-0.00088392 0.00015914 -0.00007457
0.00962179 0.01320988 -0.01718229
0.96161276 11.14887717 -20.78249006
-0.00076748 -0.00029781 0.00085586
-0.00442045 0.00953889 -0.01088778
0.74963522 13.91466264 -22.17443584
0.00014403 0.00032714 0.00011712
-0.00806861 -0.00072014 -0.00876022
10.12840707 -5.20619469 -1.74390139
0.00085193 -0.00062977 -0.00012972
-0.01458202 -0.08353668 -0.00223679
10.02455358 -2.96078933 -3.44246105
0.00060233 -0.00027753 -0.00089470
-0.00990546 0.00319992 -0.00304669
-18.44094394 -4.27302462 5.50020589
0.00035546 -0.00030499 0.00117026
-0.00807542 -0.01118920 0.00799543
-17.62776557 -3.21072428 2.99759838
-0.00083674 0.00030549 -0.00040864
-0.00109372 0.00450557 0.01080649
-15.35364971 0.56550698 16.70129450
0.00018790 0.00059184 -0.00044145
0.00313215 0.00098727 0.00073772
-13.85315756 1.10959199 19.15111945
-0.00037009 0.00034090 0.00058274
-0.01443851 -0.00758922 -0.00635680
3.13625508 4.17103734 -3.81324321
-0.00030186 0.00094399 0.00114490
-0.01557733 0.00287654 0.01358230
3.53266966 1.50153232 -3.38494121
0.00048422 0.00079314 -0.00008646
-0.01865353 0.00560294 0.01746668
23.38903148 -9.77165896 -10.47376369
-0.00013537 -0.00078270 -0.00035387
-0.00719558 0.01842456 0.01116732
25.01001589 -7.91085913 -8.76890100
-0.00008018 0.00043795 -0.00063996
0.00840878 0.00425031 0.00272336
2.35643747 -9.16022506 5.81119386
-0.00007157 0.00016041 0.00032686
0.00904966 -0.00781956 -0.00010382
1.86465669 -8.06311700 8.63515344
-0.00081151 0.00075214 -0.00027723
0.00620869 0.00137871 -0.02878593
-3.30789994 -2.69247518 -18.03325683
0.00030527 0.00094866 -0.00024387
0.00087876 0.01594345 0.00216492
-4.98595988 -0.61383712 -16.95524924
0.00067752 -0.00027458 0.00030732
0.00165709 0.00920381 0.00360587
2.12941511 4.97813169 -12.02262431
0.00063117 0.00042313 -0.00017182
0.00887746 -0.01439515 0.03655300
1.71036947 4.38495345 -9.05637718
-0.00016516 0.00030228 0.00075847
0.00171705 -0.00199373 -0.01037539
-1.10877111 15.81636616 13.64101389
-0.00024169 -0.00145288 0.00022795
-0.00548060 0.00552010 -0.01648006
-2.42025214 17.00156103 15.76532915
-0.00055488 -0.00026625 -0.00042680
-0.00915140 0.00734659 0.03143842
-2.15440068 1.39935881 -5.34995588
-0.00063625 0.00058445 0.00079940
0.00070622 -0.00244657 0.00736956
-3.14808382 0.87821135 -8.14233083
0.00011079 0.00114409 0.00048767
0.01702172 0.02016190 0.01289990
-8.40895201 -3.01195108 -4.27108260
0.00062633 0.00067956 0.00055224
0.00982375 -0.00238776 -0.00500864
-7.38406685 -0.35175884 -3.94558086
0.00010986 -0.00002621 -0.00047498
0.01258956 -0.02084828 -0.01586079
1.32634460 28.22274643 5.80140648
-0.00014589 0.00024091 0.00094338
0.00054810 0.00109457 -0.01268713
-1.45529321 28.07599118 6.80108618
0.00124018 -0.00000248 0.00082998
0.02591473 0.00617083 0.00076049
8.41315671 -9.42395746 -1.93289591
0.00002330 -0.00009994 0.00001739
-0.02054320 0.00108818 -0.00417472
10.51363423 -9.58334738 0.18564418
0.00111517 0.00090763 -0.00031195
-0.00443442 0.00369233 -0.02953336
-5.88456863 0.28169322 9.12407481
0.00016593 -0.00118331 0.00035464
0.01328932 -0.01362023 0.02395824
-8.54392660 -0.20762324 8.01714960
0.00048204 -0.00015007 0.00037606
-0.00999474 -0.00982390 0.00976831
19.48984265 11.21495035 8.16885088
-0.00008080 -0.00083328 -0.00061895
0.00702176 -0.01116443 0.00562515
19.64724893 13.27970681 6.25949848
0.00013334 -0.00076559 0.00022031
0.00082656 -0.00383619 -0.00964776
-2.90280688 -2.02323158 -22.76670448
-0.00071621 -0.00053916 -0.00049273
0.01662984 0.00541780 0.01786584
-4.87216324 -3.01434293 -24.32641651
-0.00020405 0.00074720 -0.00052106
0.01416910 -0.02782928 0.00502560
-12.48281481 9.07392782 9.81846932
-0.00022803 -0.00032428 0.00081343
-0.00603729 -0.00347728 -0.00012466
-12.83578376 9.05680193 7.01960269
0.00009399 0.00032497 0.00015020
-0.00756441 -0.00683877 -0.00197178
-13.17710695 7.46021728 -4.70687802
-0.00075108 0.00006172 -0.00022889
0.01166868 -0.01296139 0.01465696
-12.03472008 8.99958188 -2.59126455
-0.00060003 -0.00018262 -0.00022356
0.01395635 0.03805888 0.01381945
-5.17071240 -17.24708566 19.90799049
-0.00145050 -0.00029258 -0.00009472
0.00035915 -0.00437775 -0.00524273
-2.30234632 -16.27352779 19.31289931
-0.00073725 0.00090890 0.00004307
-0.01539021 -0.00773328 0.00853221
-3.24860995 5.47298317 -7.27925941
0.00051819 0.00009056 -0.00034958
-0.00666400 0.00688721 -0.00145899
-4.40994152 8.25604964 -6.34269011
-0.00091295 -0.00023687 0.00038288
0.02266623 -0.02228547 -0.04458720
-21.18434122 28.04719644 1.11495162
-0.00009532 0.00000471 0.00130937
0.00135156 -0.01025992 -0.00412837
-18.97012475 29.91112439 0.81773554
-0.00023605 0.00063716 -0.00086518
0.05462900 -0.00438173 -0.01114597
8.29888186 2.68564759 6.47243595
0.00094002 0.00020179 0.00004709
0.00698000 0.00778500 -0.00341243
9.57416772 4.76140351 8.41002799
0.00064334 -0.00011712 0.00033610
-0.00294654 -0.03902145 -0.03446859
7.39753677 16.01168896 -13.56033800
0.00087970 0.00180281 0.00104722
0.00625724 0.01518616 -0.01337764
7.57650640 13.17449967 -13.26288033
0.00077210 0.00112420 -0.00005786
-0.03544668 0.03340434 0.01389044
12.93560955 4.94638492 -3.02815231
0.00034729 -0.00095861 0.00044478
0.00282403 0.00582172 -0.01021066
13.21689031 2.84449942 -1.38882219
0.00112734 -0.00029854 0.00036811
-0.01149349 -0.02220627 0.04868517
-4.87465702 9.80176097 -0.82527417
0.00001545 0.00050982 -0.00105464
0.02617992 -0.02801393 -0.00562901
-7.68844027 9.89293961 -0.37931871
0.00090839 -0.00015843 0.00053502
0.00106776 0.00206282 0.00675613
4.93296599 13.22888750 1.98112774
0.00036315 -0.00003495 -0.00062273
-0.01408187 -0.00431944 -0.00507522
7.70685728 12.26155567 2.72909903
-0.00036289 0.00046192 0.00042542
-0.03726628 0.03505713 0.01598131
21.24848099 -13.14731434 -10.40902111
-0.00000902 -0.00021727 -0.00085905
-0.01278390 -0.01225855 0.01546283
22.82941373 -13.29305708 -12.87993185
-0.00019760 0.00119480 0.00004435
-0.01983646 0.01009103 0.00801810
17.43607628 -5.58379856 1.64671470
-0.00088505 0.00112663 -0.00039976
-0.00883391 -0.01866757 0.03462062
16.32702711 -7.94475274 3.01948371
-0.00051726 -0.00018182 0.00052582
-0.00908013 -0.02771482 -0.00574309
14.43122325 8.17304323 10.47511730
0.00001091 -0.00001971 -0.00078416
-0.02082650 0.02029759 0.01878290
16.76936144 6.55993877 10.72718116
0.00014069 0.00008422 -0.00006384
-0.00922132 0.00319768 -0.00149047
1.22263483 -13.32167379 15.76368020
-0.00090711 0.00008119 0.00170383
0.01351252 -0.01503779 -0.00489943
3.27476828 -12.19729624 17.22690596
-0.00043191 0.00037889 -0.00058125
0.01514365 -0.01835194 -0.01023516
-3.52792796 -2.70044537 -9.72571110
-0.00025471 -0.00029133 0.00039375
0.00027385 0.01038518 -0.01607013
-2.01626747 -1.29958908 -11.80352555
-0.00074321 -0.00034580 0.00014030
0.01737644 0.00590559 -0.00800620
14.88331180 -8.07969757 -11.45612237
-0.00065186 -0.00029155 -0.00060537
0.01666864 0.01884627 0.03868007
17.03399897 -7.05883682 -9.18205370
-0.00032654 0.00008601 0.00012085
-0.01266080 0.00262004 -0.01029861
7.72677796 -3.40794044 5.60500549
0.00028346 -0.00083983 -0.00056014
-0.02842144 0.00863839 -0.01745934
10.46594171 -4.20401114 5.09632168
-0.00069735 -0.00001667 0.00038088
0.00391890 0.00486018 -0.01058158
-20.85719660 0.85322212 22.92192936
0.00028903 -0.00022704 0.00014219
-0.01353305 0.01206786 0.01503977
-23.31588477 0.78287876 24.68009175
-0.00079042 -0.00010836 -0.00048939
0.00720038 0.00131439 0.00417683
26.01503699 -2.57195058 -7.79402077
0.00035851 -0.00023076 0.00087392
-0.01097949 0.00095218 0.00323888
23.60879896 -0.74547342 -7.43220905
0.00004530 -0.00022247 -0.00035459
0.00939019 -0.00593677 -0.00317415
10.84879155 -12.52224514 -8.67970736
-0.00021500 0.00136221 -0.00062172
0.01338065 0.00258502 -0.01588265
13.10315906 -10.66723805 -9.42127223
0.00016459 -0.00110679 -0.00005529
-0.00164730 0.00018807 -0.00113973
-5.52138617 -10.42896385 18.20416622
0.00000400 0.00009814 0.00044638
-0.01382259 0.00806866 0.00557359
-5.71870327 -9.89968562 15.14719970
0.00160702 -0.00002296 0.00030957
0.00469891 -0.00244017 0.02283871
9.10752969 1.09063536 -31.66677129
-0.00061072 -0.00022406 0.00062642
0.00557194 -0.00870662 -0.00266520
6.92044497 2.82761041 -32.32401683
0.00025811 0.00039159 -0.00099959
0.00351695 0.00040784 0.01446867
11.40180655 17.67930865 12.89537204
-0.00012113 -0.00003904 -0.00019174
-0.00594417 -0.00181125 0.02685333
12.04189523 15.34080319 14.36994872
0.00074904 -0.00056986 -0.00015977
-0.00554603 0.01549232 0.00694244
31.10165343 5.50350666 -7.91756918
0.00009870 -0.00023714 -0.00043147
-0.00626812 -0.00325618 -0.00154800
28.69518316 7.38510984 -7.69725454
0.00039417 0.00004277 -0.00042368
0.05547719 -0.00492551 0.00915685
-8.35356779 4.81308808 5.66872225
0.00015217 -0.00003181 0.00003973
0.00598829 0.00097891 -0.00044877
-10.73479674 10.11729336 3.34102116
-0.00003008 -0.00005567 -0.00005174
-0.00586835 0.00028607 0.00682109
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08282474
0.30669388
408.65421464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3414798643 (a.u.)
total exchange computation time: 2.7788729668 s
-154.0413979352
-931.39079425
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3412715070 (a.u.)
total exchange computation time: 2.7797999382 s
-154.0439043143
Anderson extrapolation: theta=1.3514793836 (1.3514793836)
-931.39103851
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3409090706 (a.u.)
total exchange computation time: 2.7801971436 s
-154.0478715425
Anderson extrapolation: theta=0.0533139729 (0.0533139729)
-931.39118597
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3408218092 (a.u.)
total exchange computation time: 2.7779290676 s
-154.0486173101
Anderson extrapolation: theta=1.9971955432 (1.9971955432)
-931.39119201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3406227072 (a.u.)
total exchange computation time: 2.7795610428 s
-154.0502439061
Anderson extrapolation: theta=0.2301916850 (0.2301916850)
-931.39119900
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3405682979 (a.u.)
total exchange computation time: 2.7811920643 s
-154.0506287388
Anderson extrapolation: theta=1.8725949133 (1.8725949133)
-931.39120046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3404826837 (a.u.)
total exchange computation time: 2.7785010338 s
-154.0511714935
Anderson extrapolation: theta=0.2824475181 (0.2824475181)
-931.39120237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3404756118 (a.u.)
total exchange computation time: 2.7791190147 s
-154.0511521754
Anderson extrapolation: theta=1.3088082371 (1.3088082371)
-931.39120283
-123.109329 -12.452614 -36.336640
566.994551 1067.160618 -418.153350
443.885222 1054.708004 -454.489990
1231.261229
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3404792201 (a.u.)
total exchange computation time: 2.8302807808 s
678.30104472
-1082.92894024
89.93471176
-389.62740554
-174.73013468
77.85286972
551.60419304
0.00000000
-931.39120320
5.26071936 -31.37819306 -3.77021763
-0.00052648 -0.00008059 0.00009202
-0.01305681 0.02781518 -0.00237728
-11.85704586 -0.88991939 -11.78928585
0.00006060 0.00012204 0.00015564
0.00393318 -0.01235660 0.01151870
-37.85227119 2.46149671 3.15617984
0.00012483 0.00033046 -0.00014856
0.01828028 0.00470964 0.00753768
-10.05704950 -2.61140499 2.61690446
-0.00023013 0.00017928 0.00030595
-0.03436482 0.02386781 -0.01172707
0.95024045 -0.45009159 8.93197537
0.00022937 -0.00027416 -0.00009199
-0.00689869 -0.01539410 -0.05278528
-32.38014168 2.67057593 1.80182277
-0.00007869 -0.00019160 -0.00006773
-0.03521915 0.03747657 -0.01622698
14.20181562 13.92661407 -14.60809214
0.00007834 0.00028074 -0.00014691
-0.01347808 -0.00659973 0.01270933
-4.44507796 7.00154002 3.92170530
-0.00041417 -0.00003780 -0.00002993
-0.00719823 -0.01142845 0.02244808
5.97198578 16.62612841 -8.20636407
0.00013338 -0.00015664 0.00041426
0.00168019 -0.01271849 -0.01305901
6.66005661 7.35858553 -20.95256538
-0.00006434 0.00021381 0.00001093
0.00713072 0.00205579 -0.01639446
23.33289469 17.06836534 -2.03756669
0.00009492 -0.00011944 0.00008548
-0.01165775 -0.01300837 0.00672236
1.45127004 12.93163538 -20.83194237
0.00013632 -0.00003699 0.00014952
0.01265536 -0.01369762 0.01458721
10.42897639 -3.52671591 -1.77526634
-0.00003325 -0.00001472 -0.00031646
0.01625899 0.06132657 -0.00767581
-17.72606824 -2.76554237 4.78781178
0.00017406 -0.00024533 -0.00000785
0.00399983 -0.00193371 -0.01912911
-15.17343688 0.02106126 18.44135670
0.00025328 -0.00019342 -0.00023980
0.01378137 0.01175232 -0.00158867
2.35160782 2.85564964 -2.75926408
-0.00051171 0.00009910 0.00009860
0.03459177 -0.00786743 -0.03281829
23.52995185 -7.99142573 -9.79797423
0.00026773 -0.00012334 -0.00010223
-0.01037228 -0.02263717 -0.01127547
1.68393361 -7.80874430 6.78934312
0.00025593 0.00017881 0.00018806
-0.01865976 0.02291597 0.02073755
-3.40625692 -0.83458621 -17.88942138
0.00039520 0.00019524 0.00024292
-0.00318356 -0.02425795 -0.00406956
2.91125952 4.22152036 -10.42644825
-0.00049786 -0.00003404 0.00021492
-0.01037240 0.01418952 -0.02866810
-2.62295715 16.89733580 14.01090788
0.00009331 0.00011509 0.00018335
0.01711062 -0.02280778 -0.02116873
-2.24303592 2.13460209 -6.99434107
-0.00000876 -0.00009500 -0.00005643
-0.01071531 -0.01136382 -0.01789734
-6.85433494 -2.06621631 -4.57810481
-0.00033283 -0.00007147 -0.00002582
-0.01235300 0.03073312 0.02235062
0.34395386 28.34159661 7.31134676
-0.00016977 -0.00003134 -0.00029530
-0.01554462 -0.00672635 0.01599784
10.17535420 -9.17945203 -1.65400514
0.00013802 -0.00011044 -0.00019226
0.02635014 -0.00187494 0.02588023
-7.01835659 0.71176490 7.80050999
-0.00033165 0.00051387 0.00007245
0.00456581 0.01903408 -0.02864569
18.91873642 11.60937528 6.49276343
0.00024336 0.00005075 0.00037184
-0.01451469 0.00895515 -0.00546210
-3.42369732 -3.69051842 -23.21227640
-0.00018703 0.00043566 0.00005623
-0.04535597 0.01484377 -0.03173943
-13.63376035 8.37304076 8.55260313
0.00009649 0.00010061 0.00020903
0.01600257 0.00797181 -0.00164425
-12.32121363 7.29616553 -2.96789919
-0.00019718 -0.00016864 -0.00019739
-0.01472093 -0.02556151 -0.01031104
-3.62310287 -16.51795464 20.58385619
-0.00015271 -0.00012632 0.00018422
0.01032441 0.01129649 0.00139874
-3.69828319 7.19427159 -7.85288775
-0.00037313 0.00034661 -0.00000931
-0.00701681 0.01303223 0.03566866
-20.63566680 29.76490992 1.29404064
0.00005159 0.00018358 -0.00003223
-0.05995247 0.01004116 0.02013930
9.86563785 3.10866602 7.36525516
-0.00018701 0.00010367 -0.00010558
0.00045665 0.04365556 0.03673786
6.44168813 14.67910126 -12.79323370
0.00019853 -0.00003558 0.00039925
0.03957248 -0.04016558 -0.00681385
14.12699353 3.58015644 -2.69522202
-0.00025091 -0.00022081 0.00001133
0.01387751 0.01500291 -0.04509128
-6.15958546 10.89079147 -0.32012722
0.00022327 -0.00026633 -0.00002981
-0.01938538 0.03015926 -0.00158399
6.27301183 13.51446943 3.17192724
0.00024643 0.00044053 0.00013119
0.04596874 -0.02709399 -0.00634930
21.80357144 -12.13813563 -11.78634267
-0.00002964 -0.00004125 0.00002013
0.02383532 0.00329651 -0.01649330
16.91597128 -6.30475833 3.36087290
0.00035616 0.00011028 -0.00024022
0.01734276 0.04941133 -0.03565357
15.39462738 6.98082113 9.57324659
0.00011622 -0.00031935 -0.00037235
0.02538225 -0.02480880 -0.01612830
3.00590209 -13.71213114 16.12115183
-0.00004775 0.00005618 -0.00040442
-0.02939193 0.03488225 0.01629921
-3.58754669 -1.23200851 -10.90768466
0.00005102 -0.00023444 -0.00011405
-0.02469377 -0.00643214 0.02834159
15.32111491 -7.76207161 -9.53047818
-0.00008866 0.00010621 -0.00001786
-0.01492294 -0.02101296 -0.03468577
9.27035249 -3.85102147 6.40075506
0.00036263 -0.00056939 0.00023442
0.00103848 -0.01090457 0.04431989
-21.66985019 1.58866567 24.42867144
-0.00009420 0.00007870 -0.00006060
0.00820931 -0.00685590 -0.01438259
24.88253388 -1.74930291 -6.57895717
-0.00004509 -0.00001538 -0.00021709
-0.00185480 0.00088096 0.00365126
11.96878304 -11.94746278 -10.08709129
0.00028866 -0.00017693 -0.00001498
-0.01408338 -0.00704613 0.01622909
-4.69352135 -10.53316231 16.59298393
0.00006289 -0.00037489 -0.00007674
0.00818575 -0.00839721 -0.01177982
8.24231675 2.58354614 -31.05140262
0.00007810 0.00018940 -0.00049124
-0.01879787 0.00494961 -0.00604944
11.02327375 16.88773470 14.56517241
0.00015844 -0.00018950 -0.00026527
0.01785075 -0.00407053 -0.02962844
30.63625149 7.21567640 -7.35325216
-0.00016729 -0.00000623 0.00026136
-0.05764002 0.01491714 -0.02520050
5.44246871 -30.15424782 -5.18820192
-0.00012183 0.00005453 -0.00078266
0.00394308 -0.01245943 0.00675039
4.20366470 -30.37239976 -2.60586211
0.00079834 0.00012935 0.00043442
0.00554217 -0.01291194 -0.00635787
-12.57546546 -1.95151395 -13.11384313
0.00052517 -0.00034356 0.00052606
0.00184029 -0.00818698 -0.00385402
-11.81942971 0.72347818 -12.63652442
-0.00037154 -0.00016119 -0.00150403
0.00115253 0.01371213 -0.01062927
-37.85590497 4.30402591 2.82755833
-0.00036893 -0.00066174 0.00061875
-0.01759791 -0.01435511 -0.00161502
-39.47593196 1.69072780 3.46151837
0.00031103 0.00001963 -0.00008557
-0.00432914 0.01157324 -0.00443267
-10.31800332 -3.36097549 0.97628438
-0.00107436 0.00080627 0.00038624
-0.00277272 0.00431004 -0.00775260
-8.65281152 -3.37723200 3.28044257
0.00053644 0.00004422 -0.00052305
0.05339057 -0.02493160 0.02076867
0.78386659 -0.70738449 7.03485188
0.00096570 -0.00047357 -0.00061954
0.00060699 -0.00294696 0.03903790
1.74704621 1.15914878 8.90088877
-0.00035920 0.00003327 0.00058091
0.00620562 0.01474588 0.01352494
-32.82733870 0.94498266 1.84321481
-0.00028841 0.00003123 -0.00034892
0.00396703 -0.03697492 0.01261819
-34.11156414 3.37672781 1.46698191
0.00038027 0.00004725 -0.00029483
0.03025287 -0.00420286 0.01074958
12.75411385 13.03888464 -15.33452350
0.00144345 0.00060155 0.00034356
0.00715850 0.00404344 0.00130951
15.53180110 12.66948435 -14.65274650
0.00032476 -0.00079268 -0.00098480
0.01007086 -0.00175530 -0.01349944
-4.09669658 8.73464387 4.37629048
-0.00059154 -0.00025350 0.00033419
0.00160277 0.00622876 -0.00056241
-3.83845282 6.68703995 2.26303765
-0.00012493 -0.00144837 -0.00117314
0.00641881 -0.00059248 -0.01824897
6.20529515 15.70845262 -9.90906240
0.00035930 0.00009382 0.00002259
-0.00092780 0.01533033 0.02286900
7.70822571 17.04204643 -7.68228873
0.00046582 -0.00012994 0.00011339
-0.00467628 -0.00797539 -0.00489626
7.51026066 7.30352932 -22.61631898
-0.00076936 -0.00039723 0.00062174
-0.00338376 -0.01010597 0.00158155
7.71574394 8.64472399 -20.19140520
-0.00047327 0.00044205 -0.00062636
0.00342067 -0.00083339 0.01358733
21.51310041 17.38935917 -2.30629374
-0.00038881 -0.00071331 0.00095105
0.01138777 0.00031323 0.00971403
24.14847144 17.79341407 -3.45684374
-0.00084344 0.00021430 -0.00014737
0.01019280 0.01379265 -0.01845074
0.94996505 11.14470230 -20.76998581
-0.00078345 -0.00025216 0.00081053
-0.00339526 0.01280527 -0.01130114
0.75154838 13.91954773 -22.17294750
0.00011227 0.00032169 0.00008412
-0.00747742 -0.00194909 -0.00739206
10.14073926 -5.21820099 -1.74591576
0.00079578 -0.00095739 -0.00013979
-0.01290579 -0.07683674 -0.00268997
10.03328499 -2.96485425 -3.45597497
0.00056277 -0.00026698 -0.00090226
-0.00946042 0.00196508 -0.00065118
-18.43585957 -4.27794227 5.51800482
0.00032552 -0.00034495 0.00119760
-0.00657790 -0.00837268 0.00538642
-17.64035023 -3.20600391 2.99179986
-0.00084195 0.00032255 -0.00036071
-0.00145710 0.00384838 0.01265577
-15.35073525 0.57441490 16.69469532
0.00020140 0.00059413 -0.00043214
0.00347574 0.00013001 0.00381883
-13.85915129 1.11447300 19.15966572
-0.00043025 0.00030848 0.00055539
-0.01501105 -0.00828446 -0.00703201
3.13124979 4.18528534 -3.79565343
-0.00036626 0.00095469 0.00120071
-0.01594418 0.00235975 0.01373387
3.53936132 1.51360117 -3.38570293
0.00040630 0.00081634 -0.00001480
-0.01948729 0.00575017 0.01761162
23.38678045 -9.78283492 -10.47872952
-0.00016328 -0.00070067 -0.00030522
-0.00646888 0.02172918 0.01264430
25.00907079 -7.90415965 -8.77841692
-0.00003814 0.00045497 -0.00062373
0.01217437 0.00408071 0.00521950
2.35564126 -9.15805849 5.81609351
-0.00003334 0.00012620 0.00032534
0.00966239 -0.00892647 -0.00063646
1.85267425 -8.05179264 8.63011289
-0.00078444 0.00075553 -0.00038570
0.00704444 0.00028016 -0.02430965
-3.30329396 -2.67775671 -18.03684856
0.00031027 0.00100315 -0.00023597
0.00156767 0.01072874 0.00170439
-4.97574630 -0.61767375 -16.95052891
0.00068091 -0.00023552 0.00032374
0.00000179 0.00991304 0.00442867
2.13915476 4.98403749 -12.02408145
0.00066515 0.00036438 -0.00002092
0.00775426 -0.01436409 0.03731055
1.70794464 4.38942658 -9.04531812
-0.00015686 0.00029476 0.00071252
0.00234770 -0.00168606 -0.01211668
-1.11256441 15.79474207 13.64392818
-0.00026820 -0.00142535 0.00016211
-0.00749437 0.00795944 -0.01575256
-2.42885576 16.99779237 15.75989056
-0.00059050 -0.00023547 -0.00028616
-0.00828722 0.00772340 0.03740656
-2.16392281 1.40805064 -5.33773901
-0.00063398 0.00057732 0.00082118
0.00040813 -0.00104435 0.00328877
-3.14590032 0.89599058 -8.13462046
0.00017451 0.00121733 0.00053436
0.01416890 0.01568877 0.00995540
-8.39925607 -3.00183091 -4.26295245
0.00065247 0.00066068 0.00053432
0.00297299 -0.00684989 -0.00376362
-7.38203324 -0.35279089 -3.95319155
0.00016037 -0.00010848 -0.00053876
0.01213570 -0.01942190 -0.01535967
1.32417309 28.22639364 5.81516840
-0.00013476 0.00024418 0.00087629
0.00489977 0.00050697 -0.02015601
-1.43589644 28.07614311 6.81355920
0.00132625 0.00001930 0.00082654
0.01621732 0.00448918 -0.00244617
8.41287674 -9.42542325 -1.93276295
-0.00005866 -0.00009547 0.00000172
-0.01957674 0.00110208 -0.00349725
10.53022587 -9.56961984 0.18006001
0.00109538 0.00092107 -0.00043060
-0.00525003 0.00288893 -0.02854712
-5.88167245 0.26352620 9.13012851
0.00021187 -0.00123408 0.00044028
0.00919678 -0.01123084 0.01796688
-8.53700222 -0.21017539 8.02308979
0.00043575 -0.00019255 0.00041505
-0.01266786 -0.01096981 0.00932073
19.48884585 11.20210902 8.15973902
-0.00004826 -0.00088038 -0.00058450
0.00890726 -0.01189068 0.01124024
19.64927432 13.26810537 6.26250750
0.00014142 -0.00077068 0.00018026
0.00312847 0.00134375 -0.00995893
-2.91304046 -2.03115293 -22.77354802
-0.00064120 -0.00049845 -0.00041400
0.02008916 0.01450810 0.02067582
-4.87478974 -3.00398763 -24.33407843
-0.00014424 0.00063125 -0.00049892
0.01510400 -0.02892940 0.00581480
-12.48642028 9.06895712 9.83066700
-0.00025297 -0.00033832 0.00081048
-0.00617121 -0.00339880 -0.00131877
-12.83460577 9.06146697 7.02179530
0.00006306 0.00029681 0.00014436
-0.00757386 -0.00694724 -0.00089000
-13.18801555 7.46074593 -4.70986228
-0.00070182 0.00000794 -0.00016718
0.01244498 -0.01336427 0.01555189
-12.04329285 8.99800877 -2.59419441
-0.00054298 -0.00002730 -0.00016661
0.01397105 0.03797191 0.01405551
-5.19245882 -17.25160849 19.90640897
-0.00143496 -0.00030379 -0.00011011
0.00724542 -0.00111240 -0.00228791
-2.31387669 -16.26013128 19.31380676
-0.00079768 0.00087742 0.00007560
-0.01418913 -0.00767757 0.00739287
-3.24104130 5.47455267 -7.28454780
0.00048937 0.00012260 -0.00035657
-0.00744433 0.00879666 -0.00196487
-4.42294123 8.25181365 -6.33831321
-0.00081937 -0.00032781 0.00019976
0.02314090 -0.02222641 -0.04504957
-21.18572957 28.04695263 1.13446566
-0.00008825 -0.00003568 0.00129223
0.00210827 -0.00951061 -0.00425949
-18.97199153 29.92054747 0.80441622
-0.00001519 0.00061823 -0.00091058
0.05348672 -0.00488255 -0.01107634
8.31319597 2.68891302 6.47303768
0.00095523 0.00023124 0.00002673
0.00046977 0.00663027 -0.00655002
9.58372746 4.75845102 8.41401328
0.00062935 -0.00027556 0.00019499
-0.00389899 -0.03853566 -0.03460856
7.41092394 16.03919645 -13.54503969
0.00089318 0.00184687 0.00100172
0.00034257 0.00638214 -0.00889256
7.58700174 13.19238633 -13.26332263
0.00063013 0.00125554 -0.00000218
-0.03405173 0.03088663 0.01336711
12.94090548 4.93218420 -3.02179342
0.00034865 -0.00092401 0.00040041
-0.00215803 0.01111217 -0.01151285
13.23344819 2.83934086 -1.38180864
0.00107745 -0.00039147 0.00057182
-0.01292933 -0.02328381 0.05103310
-4.87362301 9.80854977 -0.84126627
0.00012633 0.00039245 -0.00107904
0.02809394 -0.02943758 -0.00631699
-7.67478169 9.89062645 -0.37108635
0.00090380 -0.00015575 0.00056232
-0.00331518 -0.00075119 0.00660643
4.93798176 13.22823082 1.97163121
0.00031074 -0.00005061 -0.00063735
-0.01157669 -0.00334338 -0.00207887
7.70027199 12.26955873 2.73596997
-0.00050955 0.00060166 0.00048962
-0.03452486 0.03334630 0.01544663
21.24795389 -13.15094908 -10.42143307
-0.00006385 -0.00027265 -0.00078848
-0.01405168 -0.01484939 0.01908494
22.82584192 -13.27482579 -12.87902096
-0.00027257 0.00122931 0.00007171
-0.01686230 0.00679809 0.00537655
17.42252988 -5.56747112 1.64177923
-0.00092075 0.00104702 -0.00025761
-0.00864534 -0.02030054 0.03495994
16.31899002 -7.94832933 3.02719508
-0.00055118 -0.00028596 0.00050228
-0.00752731 -0.02326062 -0.00578259
14.43074868 8.17336955 10.46393054
-0.00007289 0.00006160 -0.00070856
-0.02019565 0.01950400 0.01821969
16.77118924 6.56130001 10.72617791
0.00010172 0.00009743 -0.00007079
-0.00985396 0.00327142 -0.00191370
1.20944229 -13.32091675 15.78908758
-0.00084751 0.00001731 0.00168279
0.01566297 -0.01623383 -0.00540060
3.26875366 -12.19217526 17.21787364
-0.00036766 0.00030366 -0.00062278
0.01630700 -0.01847174 -0.01009786
-3.53174018 -2.70449715 -9.72029733
-0.00025293 -0.00024594 0.00032531
0.00059734 0.01183805 -0.01743178
-2.02688309 -1.30459519 -11.80166641
-0.00066124 -0.00032287 0.00010144
0.02274868 0.00531997 -0.01101723
14.87404469 -8.08349335 -11.46401769
-0.00058167 -0.00021324 -0.00044348
0.01768962 0.01948582 0.04056572
17.02871292 -7.05746639 -9.18055657
-0.00037606 0.00009781 0.00007816
-0.01158067 0.00315537 -0.01059897
7.73015887 -3.42027322 5.59606833
0.00017221 -0.00080580 -0.00062662
-0.02603634 0.00801841 -0.01508003
10.45560161 -4.20411230 5.10171061
-0.00066882 -0.00000071 0.00032769
0.01004655 0.00295396 -0.01545537
-20.85327577 0.85018627 22.92452307
0.00023310 -0.00017707 0.00020412
-0.01384911 0.01239583 0.01527343
-23.32752044 0.78129365 24.67287889
-0.00075307 -0.00009909 -0.00047297
0.01108260 0.00322264 0.00385961
26.02007817 -2.57538278 -7.78081268
0.00031618 -0.00022877 0.00088259
-0.00974234 0.00001987 0.00100386
23.60976620 -0.74899233 -7.43762512
0.00008299 -0.00024621 -0.00036901
0.00905850 -0.00568540 -0.00388525
10.84597660 -12.50173272 -8.68951979
-0.00016467 0.00136906 -0.00068057
0.01125710 0.00076439 -0.01292468
13.10557742 -10.68383420 -9.42213653
0.00016530 -0.00109778 -0.00005645
0.00199313 0.00422399 0.00057198
-5.52174973 -10.42724447 18.21103269
-0.00004902 0.00013124 0.00046080
-0.01213355 0.00813191 0.00148362
-5.69445403 -9.90010480 15.15254317
0.00161751 -0.00002861 0.00039330
0.00043914 -0.00032440 0.01814616
9.09853959 1.08700770 -31.65745667
-0.00058509 -0.00026332 0.00061282
0.00697292 -0.01051353 -0.00399206
6.92442434 2.83349671 -32.33856734
0.00027481 0.00039236 -0.00093807
0.00465889 -0.00002895 0.01564751
11.39980746 17.67866747 12.89331879
-0.00014451 -0.00004673 -0.00008307
-0.00550047 -0.00195248 0.02634002
12.05296082 15.33273009 14.36776498
0.00072252 -0.00049960 -0.00013155
-0.00743413 0.01889851 0.00686824
31.10294184 5.49984980 -7.92408863
0.00007177 -0.00024481 -0.00043529
-0.00691269 -0.00049802 -0.00032247
28.70279567 7.38560044 -7.70332914
0.00061623 0.00002289 -0.00038629
0.05322323 -0.00480772 0.00914682
-8.35126915 4.81261350 5.66931700
0.00015432 -0.00003147 0.00003956
0.00601493 0.00094270 -0.00051399
-10.73525820 10.11645876 3.34025696
-0.00003141 -0.00005560 -0.00005015
-0.00559316 0.00030888 0.00689141
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08310332
0.30809988
410.52764053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.253 s
total exchange = -52.3492998494 (a.u.)
total exchange computation time: 2.7783858776 s
-154.0722827251
-931.39256066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3490534077 (a.u.)
total exchange computation time: 2.7778749466 s
-154.0751619923
Anderson extrapolation: theta=1.3502450352 (1.3502450352)
-931.39279650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3486479480 (a.u.)
total exchange computation time: 2.7794270515 s
-154.0795974259
Anderson extrapolation: theta=0.0522425977 (0.0522425977)
-931.39293835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3485674015 (a.u.)
total exchange computation time: 2.7786831856 s
-154.0803219633
Anderson extrapolation: theta=1.9627150481 (1.9627150481)
-931.39294397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3483917694 (a.u.)
total exchange computation time: 2.7799329758 s
-154.0818434397
Anderson extrapolation: theta=0.2241089851 (0.2241089851)
-931.39295033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3483495459 (a.u.)
total exchange computation time: 2.7784330845 s
-154.0821660012
Anderson extrapolation: theta=1.8686929447 (1.8686929447)
-931.39295163
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3482894919 (a.u.)
total exchange computation time: 2.7788109779 s
-154.0825798944
Anderson extrapolation: theta=0.2803159311 (0.2803159311)
-931.39295334
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3482913696 (a.u.)
total exchange computation time: 2.7810208797 s
-154.0825172790
Anderson extrapolation: theta=1.3117777717 (1.3117777717)
-931.39295376
-123.117506 -12.486923 -36.314259
567.015668 1067.178193 -418.139107
443.898162 1054.691270 -454.453367
1231.238042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3483071786 (a.u.)
total exchange computation time: 2.8274180889 s
678.42936735
-1083.18477925
89.91447289
-389.45313038
-174.75057755
77.99366531
551.60419304
0.00000000
-931.39295412
5.25277183 -31.37929461 -3.76884643
-0.00053245 -0.00006610 0.00008947
-0.01018288 0.02852535 -0.00756503
-11.85612168 -0.88813652 -11.78690683
0.00006268 0.00011667 0.00016106
0.00414373 -0.00852225 0.00955785
-37.85032826 2.46647184 3.15398056
0.00013417 0.00033108 -0.00014443
0.01804901 -0.00230331 0.00853059
-10.06063407 -2.60862370 2.62144853
-0.00024674 0.00019118 0.00030085
-0.03022316 0.02242013 -0.00813760
0.95365434 -0.45426335 8.93039193
0.00022588 -0.00028215 -0.00011958
-0.00665707 -0.01569089 -0.05450670
-32.38145790 2.66784655 1.80074428
-0.00009620 -0.00017232 -0.00007601
-0.03288239 0.03748327 -0.01598680
14.20293870 13.93079971 -14.61024677
0.00007487 0.00027709 -0.00013948
0.00000119 -0.00761182 0.01620398
-4.45131822 7.00092896 3.92134300
-0.00041711 -0.00004475 -0.00002107
-0.00425346 -0.01559156 0.01198745
5.97399303 16.62372971 -8.20020054
0.00013469 -0.00016318 0.00040743
0.00340009 -0.01271797 -0.01348360
6.65911904 7.36180064 -20.95246467
-0.00006166 0.00021453 0.00000341
0.00327212 0.00072603 -0.01286022
23.33427350 17.06652351 -2.03625850
0.00008847 -0.00012615 0.00008910
-0.01342921 -0.01308568 0.00734857
1.45336361 12.93102770 -20.82964325
0.00014244 -0.00004444 0.00015669
0.01114982 -0.01525933 0.01328163
10.42854036 -3.52670017 -1.78004291
-0.00002552 0.00001447 -0.00032081
0.01381632 0.05217098 -0.00921685
-17.72344196 -2.76922974 4.78762027
0.00017581 -0.00024694 -0.00001736
0.00283003 -0.00434043 -0.01784955
-15.16958456 0.01820527 18.43775362
0.00026030 -0.00018700 -0.00024124
0.01352571 0.01322285 -0.00402818
2.34406560 2.85710584 -2.75791164
-0.00049373 0.00009515 0.00008172
0.03533999 -0.00748698 -0.03283298
23.53392774 -7.99336310 -9.79955115
0.00026118 -0.00013562 -0.00010889
-0.01507475 -0.02514475 -0.01463238
1.68770060 -7.80597372 6.79224402
0.00024605 0.00019105 0.00019745
-0.01977629 0.02468583 0.01576296
-3.40034117 -0.83175112 -17.88579323
0.00039371 0.00018408 0.00024075
-0.00262539 -0.01917264 -0.00437413
2.90375160 4.22106450 -10.42333506
-0.00050297 -0.00002691 0.00020057
-0.00948840 0.01352357 -0.02714283
-2.62149145 16.89897419 14.01357651
0.00010248 0.00010271 0.00017110
0.01853709 -0.02533731 -0.02648340
-2.24320859 2.13313320 -6.99525652
-0.00001331 -0.00009985 -0.00006355
-0.00697814 -0.00746540 -0.00978087
-6.85937507 -2.06716974 -4.57840582
-0.00033715 -0.00005500 -0.00001486
-0.00441962 0.03328839 0.02024057
0.34134742 28.34110049 7.30697901
-0.00017593 -0.00003417 -0.00028442
-0.00844335 -0.00427602 0.02629483
10.17752607 -9.18111587 -1.65678918
0.00015123 -0.00011118 -0.00017957
0.02503530 -0.00101507 0.02345125
-7.02331379 0.71954630 7.80148631
-0.00032755 0.00052310 0.00005952
0.01140174 0.01685833 -0.02163714
18.92233091 11.61017109 6.49831992
0.00023470 0.00005425 0.00036774
-0.01916375 0.00465019 -0.01045519
-3.42667772 -3.68392621 -23.21155539
-0.00021133 0.00044123 0.00003907
-0.04912689 0.00678702 -0.03497301
-13.63225120 8.37458061 8.55573224
0.00010470 0.00010465 0.00020815
0.01589089 0.00776942 -0.00176437
-12.32422816 7.29353735 -2.97089983
-0.00020474 -0.00018133 -0.00020268
-0.01466095 -0.02379012 -0.01025868
-3.62535368 -16.51980587 20.58662483
-0.00014948 -0.00012138 0.00018462
0.00223315 0.00790488 0.00016299
-3.70390721 7.19952095 -7.85288976
-0.00037655 0.00035264 0.00000903
-0.00627648 0.01041311 0.03564735
-20.63512425 29.76770236 1.29363489
0.00002142 0.00018864 -0.00002202
-0.05734995 0.00962823 0.01956517
9.86283444 3.11038950 7.36381313
-0.00018482 0.00012607 -0.00008591
0.00807229 0.04342858 0.03976901
6.44481870 14.67841269 -12.78727122
0.00021981 -0.00005311 0.00039486
0.04318427 -0.02803025 -0.01026897
14.12328336 3.57690220 -2.69522607
-0.00024239 -0.00021440 -0.00001168
0.01926087 0.00991548 -0.04438062
-6.15631118 10.88691280 -0.32058051
0.00021429 -0.00024999 -0.00003053
-0.01553765 0.03340808 -0.00122169
6.27688566 13.52097286 3.17387054
0.00026840 0.00042698 0.00012728
0.03946600 -0.02557844 -0.00882612
21.80321877 -12.13874166 -11.78610431
-0.00001791 -0.00003810 0.00001179
0.02179242 0.00896120 -0.01595569
16.92138064 -6.30291360 3.35713213
0.00036449 0.00013460 -0.00025849
0.01501772 0.04518536 -0.03539883
15.39646855 6.97593511 9.56759908
0.00012900 -0.00033165 -0.00038020
0.02434412 -0.02301855 -0.01438374
3.00507242 -13.71115389 16.11514835
-0.00006366 0.00007433 -0.00039597
-0.03247758 0.03568105 0.01656580
-3.58687664 -1.23554991 -10.90928609
0.00003700 -0.00023789 -0.00009869
-0.02983967 -0.00698306 0.03138597
15.31972748 -7.76055949 -9.53087987
-0.00009686 0.00009515 -0.00003606
-0.01697212 -0.02201954 -0.03610272
9.27579590 -3.85960435 6.40444235
0.00036081 -0.00057431 0.00025771
-0.00809709 -0.00823333 0.04624193
-21.67123146 1.58981965 24.42770699
-0.00009086 0.00007475 -0.00006784
0.00476607 -0.00849565 -0.01378213
24.88185039 -1.74953023 -6.58219950
-0.00004628 -0.00001477 -0.00021442
-0.00276121 0.00148759 0.00676839
11.97305859 -11.95014392 -10.08725341
0.00028117 -0.00018107 -0.00000786
-0.01504874 -0.00905340 0.01147672
-4.69254638 -10.53881801 16.59178744
0.00006771 -0.00037977 -0.00008027
0.01054384 -0.01057507 -0.00197413
8.24341574 2.58640621 -31.05879461
0.00006798 0.00019250 -0.00049436
-0.02057129 0.00709313 -0.00605874
11.02571925 16.88487653 14.56107905
0.00016788 -0.00019233 -0.00028019
0.01885435 -0.00694041 -0.02837586
30.63351977 7.21564053 -7.34942902
-0.00019597 0.00000065 0.00024799
-0.05388735 0.01183565 -0.02678299
5.44076202 -30.15381171 -5.19973495
-0.00010746 -0.00000143 -0.00074735
0.00309298 -0.01493132 0.01053318
4.21580957 -30.37085524 -2.59954059
0.00081706 0.00008036 0.00041100
0.00362366 -0.01106832 -0.00510629
-12.56753159 -1.95691821 -13.10607032
0.00053172 -0.00037890 0.00050959
0.00137007 -0.00911272 -0.00420973
-11.82496743 0.72148047 -12.65941057
-0.00036678 -0.00011098 -0.00154228
0.00117514 0.01086974 -0.00809360
-37.86197817 4.29365999 2.83679010
-0.00044038 -0.00070620 0.00060965
-0.01737545 -0.00740954 -0.00283822
-39.47139920 1.69137691 3.46009895
0.00029341 0.00006648 -0.00010332
-0.00429728 0.01135948 -0.00425567
-10.33420361 -3.34874939 0.98184039
-0.00108585 0.00082213 0.00035155
-0.00285409 0.00345291 -0.00922552
-8.64312886 -3.37733276 3.27323323
0.00074554 -0.00005323 -0.00044330
0.04896652 -0.02277052 0.01826792
0.79837066 -0.71457836 7.02675500
0.00096856 -0.00048392 -0.00045546
0.00079537 -0.00211682 0.04127949
1.74184836 1.16009965 8.91001680
-0.00033455 0.00009260 0.00063533
0.00585913 0.01429631 0.01311669
-32.83154331 0.94431814 1.83836764
-0.00027260 -0.00012142 -0.00029709
0.00377182 -0.03774795 0.01275614
-34.10493308 3.37730784 1.46288880
0.00049979 0.00003192 -0.00025162
0.02825509 -0.00330162 0.01040462
12.77598492 13.04803172 -15.32932998
0.00145339 0.00060908 0.00034052
-0.00228971 -0.00035345 -0.00279507
15.53698105 12.65754042 -14.66793209
0.00035778 -0.00078871 -0.00103796
0.00609248 0.00369456 -0.01252552
-4.10552054 8.73103220 4.38128614
-0.00058351 -0.00022649 0.00032959
0.00232928 0.00699333 -0.00169114
-3.84013013 6.66529625 2.24488133
-0.00010642 -0.00144380 -0.00122505
0.00264096 0.00282868 -0.00716183
6.21065624 15.71032975 -9.90802283
0.00035453 0.00015618 0.00011746
-0.00140809 0.01519556 0.02356994
7.71506973 17.03985297 -7.68073797
0.00044415 -0.00016303 0.00009333
-0.00593236 -0.00822109 -0.00492251
7.49861653 7.29726121 -22.60694441
-0.00077815 -0.00043856 0.00061869
-0.00091951 -0.01012359 -0.00307575
7.70874974 8.65132916 -20.20038427
-0.00045650 0.00044200 -0.00056889
0.00478707 0.00081001 0.01454643
21.50761720 17.37866910 -2.29173033
-0.00033916 -0.00071191 0.00099043
0.01291846 0.00037381 0.00956160
24.13613219 17.79705126 -3.45961961
-0.00080168 0.00027102 -0.00022371
0.01025091 0.01397287 -0.01891848
0.93810926 11.14131223 -20.75817417
-0.00079528 -0.00019405 0.00076357
-0.00239565 0.01564091 -0.01168372
0.75300328 13.92431336 -22.17191219
0.00008324 0.00031096 0.00005721
-0.00673147 -0.00330527 -0.00578010
10.15228049 -5.23491633 -1.74809498
0.00074747 -0.00125029 -0.00015190
-0.01074045 -0.06654108 -0.00323973
10.04143661 -2.96879874 -3.46952879
0.00052499 -0.00026145 -0.00090005
-0.00902970 0.00074238 0.00173078
-18.43117833 -4.28337305 5.53613387
0.00030190 -0.00037285 0.00121388
-0.00498583 -0.00528567 0.00258394
-17.65302419 -3.20104768 2.98677697
-0.00084856 0.00033674 -0.00030603
-0.00177571 0.00309507 0.01410975
-15.34760778 0.58333078 16.68833018
0.00021621 0.00059292 -0.00041058
0.00377403 -0.00072109 0.00673633
-13.86606498 1.11884629 19.16778103
-0.00049195 0.00027379 0.00052571
-0.01519472 -0.00869478 -0.00749601
3.12526734 4.19967797 -3.77722197
-0.00043179 0.00096361 0.00125671
-0.01613185 0.00200756 0.01367932
3.54485869 1.52602244 -3.38538530
0.00032572 0.00083947 0.00005696
-0.01995587 0.00557319 0.01751738
23.38413297 -9.79267918 -10.48292044
-0.00018817 -0.00060640 -0.00025104
-0.00571215 0.02442082 0.01388013
25.00887181 -7.89721008 -8.78761295
0.00001854 0.00047129 -0.00059786
0.01557090 0.00390886 0.00744631
2.35543722 -9.15643900 5.82095416
0.00000694 0.00008835 0.00032219
0.01005352 -0.00960434 -0.00090665
1.84112354 -8.04045112 8.62358250
-0.00075399 0.00075431 -0.00047413
0.00786103 -0.00087783 -0.01897891
-3.29859191 -2.66238072 -18.04033583
0.00031810 0.00103514 -0.00023011
0.00226634 0.00493142 0.00116035
-4.96553262 -0.62090285 -16.94553715
0.00067768 -0.00019368 0.00034346
-0.00157972 0.01057227 0.00522831
2.14936964 4.98906298 -12.02325198
0.00069403 0.00030648 0.00013151
0.00638263 -0.01397731 0.03730530
1.70566370 4.39379638 -9.03500165
-0.00014620 0.00028840 0.00065984
0.00286980 -0.00143136 -0.01367158
-1.11681701 15.77360578 13.64587706
-0.00030244 -0.00138801 0.00009945
-0.00926577 0.01031472 -0.01491968
-2.43796727 16.99449706 15.75674447
-0.00062286 -0.00020354 -0.00012413
-0.00755342 0.00790459 0.04190571
-2.17341993 1.41667847 -5.32532057
-0.00063286 0.00057592 0.00082592
0.00013984 0.00035927 -0.00096761
-3.14284845 0.91473130 -8.12629997
0.00022535 0.00127091 0.00056770
0.01071791 0.01053904 0.00636296
-8.38937792 -2.99213055 -4.25505296
0.00064987 0.00062327 0.00052187
-0.00424622 -0.01146279 -0.00233020
-7.37925587 -0.35501323 -3.96174357
0.00020856 -0.00018357 -0.00059997
0.01145592 -0.01733553 -0.01460349
1.32230188 28.23007191 5.82769504
-0.00010642 0.00024509 0.00078018
0.00897330 -0.00006379 -0.02688708
-1.41550578 28.07657016 6.82588230
0.00136963 0.00003369 0.00080946
0.00501840 0.00255487 -0.00591127
8.41139699 -9.42682149 -1.93284433
-0.00013515 -0.00009072 -0.00001100
-0.01786654 0.00122274 -0.00273028
10.54649576 -9.55571525 0.17272630
0.00107259 0.00093100 -0.00054377
-0.00590997 0.00196975 -0.02685372
-5.87821264 0.24467088 9.13728333
0.00024059 -0.00127442 0.00050093
0.00486491 -0.00851890 0.01171906
-8.53085420 -0.21339984 8.02960121
0.00037979 -0.00023896 0.00045205
-0.01472467 -0.01174768 0.00879113
19.48839494 11.18853895 8.15131603
-0.00000821 -0.00093036 -0.00052789
0.01069624 -0.01257706 0.01646940
19.65149144 13.25658630 6.26490617
0.00015907 -0.00075446 0.00013901
0.00551093 0.00659839 -0.01023315
-2.92204286 -2.03818514 -22.77912442
-0.00055256 -0.00042125 -0.00032420
0.02330170 0.02328287 0.02327986
-4.87649057 -2.99540531 -24.34138397
-0.00008131 0.00051150 -0.00047397
0.01570497 -0.02969279 0.00639581
-12.49040396 9.06377812 9.84278385
-0.00027824 -0.00035191 0.00080279
-0.00619959 -0.00325288 -0.00244879
-12.83389194 9.06570623 7.02393336
0.00003229 0.00026839 0.00014273
-0.00748792 -0.00696464 0.00009209
-13.19816145 7.46045553 -4.71189343
-0.00064970 -0.00004721 -0.00010234
0.01306695 -0.01363103 0.01618659
-12.05100938 8.99876280 -2.59626286
-0.00048651 0.00012417 -0.00010960
0.01367178 0.03617483 0.01384955
-5.21376120 -17.25619950 19.90468723
-0.00139260 -0.00030234 -0.00011389
0.01349045 0.00182287 0.00043919
-2.32627666 -16.24720529 19.31516729
-0.00085246 0.00084642 0.00010289
-0.01262911 -0.00749455 0.00596597
-3.23392888 5.47666129 -7.28995660
0.00045744 0.00016199 -0.00036545
-0.00818466 0.01048169 -0.00237894
-4.43452272 8.24621548 -6.33669724
-0.00072462 -0.00041759 0.00001634
0.02323976 -0.02172536 -0.04473919
-21.18698871 28.04612596 1.15371866
-0.00007788 -0.00007227 0.00127455
0.00296832 -0.00839696 -0.00439613
-18.97058030 29.92967132 0.79041807
0.00019595 0.00059678 -0.00095406
0.04986619 -0.00561923 -0.01020811
8.32753888 2.69258480 6.47323798
0.00094345 0.00025572 -0.00000688
-0.00624022 0.00535252 -0.00990333
9.59304824 4.75313682 8.41587754
0.00061137 -0.00043036 0.00005452
-0.00490375 -0.03724272 -0.03414970
7.42433210 16.06709507 -13.53028638
0.00088311 0.00185545 0.00097364
-0.00526839 -0.00218053 -0.00485557
7.59541019 13.21216591 -13.26294571
0.00049544 0.00137475 0.00005069
-0.03187941 0.02746926 0.01251410
12.94606915 4.91866450 -3.01614012
0.00032945 -0.00086790 0.00035099
-0.00724294 0.01635639 -0.01267554
13.24921368 2.83275532 -1.37166746
0.00102421 -0.00048632 0.00078123
-0.01313161 -0.02314644 0.05147100
-4.87086723 9.81353446 -0.85764551
0.00024213 0.00027159 -0.00110522
0.02859408 -0.02972621 -0.00649416
-7.66132628 9.88826724 -0.36244910
0.00088127 -0.00016476 0.00058910
-0.00771477 -0.00365975 0.00650198
4.94228805 13.22736923 1.96200727
0.00026899 -0.00006210 -0.00063919
-0.00885805 -0.00228190 0.00117838
7.69157081 12.27960547 2.74378758
-0.00064311 0.00073267 0.00055105
-0.03085259 0.03078413 0.01462258
21.24656562 -13.15549388 -10.43267539
-0.00012323 -0.00033750 -0.00070479
-0.01501886 -0.01689427 0.02188187
22.82123667 -13.25617787 -12.87778055
-0.00033447 0.00124954 0.00008731
-0.01343924 0.00310817 0.00226154
17.40845365 -5.55238783 1.63898631
-0.00095521 0.00096152 -0.00011570
-0.00821973 -0.02155335 0.03450745
16.31049160 -7.95333149 3.03455206
-0.00057798 -0.00036987 0.00047895
-0.00559125 -0.01781495 -0.00563443
14.42903640 8.17489120 10.45386039
-0.00015258 0.00013770 -0.00063673
-0.01880908 0.01774633 0.01694563
16.77241312 6.56286175 10.72505738
0.00006067 0.00011077 -0.00007913
-0.01024248 0.00325784 -0.00216623
1.19720967 -13.32115462 15.81416398
-0.00077974 -0.00005110 0.00165960
0.01750930 -0.01725216 -0.00595146
3.26373844 -12.18818634 17.20822246
-0.00029880 0.00022880 -0.00066327
0.01739921 -0.01817378 -0.00972077
-3.53551579 -2.70782343 -9.71595189
-0.00024985 -0.00019549 0.00025205
0.00091135 0.01285637 -0.01842695
-2.03610453 -1.30927525 -11.80048247
-0.00055864 -0.00030226 0.00005099
0.02747373 0.00476896 -0.01367799
14.86586171 -8.08609492 -11.46942690
-0.00050767 -0.00013268 -0.00027530
0.01853517 0.01994923 0.04176050
17.02271714 -7.05590259 -9.17970900
-0.00042077 0.00011192 0.00003445
-0.01030371 0.00375131 -0.01079658
7.73194411 -3.43211459 5.58620697
0.00007249 -0.00077479 -0.00068226
-0.02277459 0.00716227 -0.01215937
10.44587722 -4.20403242 5.10615234
-0.00061584 0.00000774 0.00025503
0.01588409 0.00118231 -0.02011285
-20.85020371 0.84791011 22.92805283
0.00017650 -0.00012631 0.00026587
-0.01385488 0.01245007 0.01495359
-23.33847689 0.77990604 24.66590258
-0.00070056 -0.00008236 -0.00045766
0.01462154 0.00496560 0.00363577
26.02452229 -2.57881377 -7.76754306
0.00027921 -0.00023078 0.00088203
-0.00835176 -0.00100393 -0.00127657
23.61128859 -0.75285968 -7.44327931
0.00011893 -0.00026866 -0.00038649
0.00853709 -0.00530352 -0.00467347
10.84385156 -12.48117346 -8.70012433
-0.00012380 0.00136834 -0.00072652
0.00874552 -0.00111532 -0.00957003
13.10811793 -10.70017147 -9.42296578
0.00018099 -0.00107233 -0.00005056
0.00568904 0.00823489 0.00230995
-5.52285691 -10.42502672 18.21799010
-0.00009488 0.00016441 0.00045825
-0.01031415 0.00810727 -0.00273044
-5.67017789 -9.90054386 15.15899875
0.00161017 -0.00002498 0.00045660
-0.00403409 0.00209851 0.01283695
9.08997685 1.08273570 -31.64838670
-0.00055432 -0.00030919 0.00059415
0.00809093 -0.01193979 -0.00514545
6.92868923 2.83938123 -32.35215887
0.00029555 0.00039141 -0.00087239
0.00549546 -0.00043698 0.01650150
11.39747126 17.67790664 12.89287982
-0.00016578 -0.00005438 0.00002215
-0.00491234 -0.00179041 0.02516905
12.06357079 15.32581521 14.36600216
0.00068899 -0.00041662 -0.00010381
-0.00897887 0.02171867 0.00671079
31.10380660 5.49616243 -7.93062785
0.00004229 -0.00024128 -0.00043408
-0.00752029 0.00222514 0.00091647
28.71367003 7.38579640 -7.70884317
0.00082665 0.00000377 -0.00034944
0.04978100 -0.00454773 0.00889111
-8.34893823 4.81214397 5.66990898
0.00015648 -0.00003114 0.00003936
0.00606808 0.00092452 -0.00057524
-10.73573913 10.11562523 3.33951675
-0.00003268 -0.00005553 -0.00004854
-0.00533425 0.00031782 0.00693587
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08316178
0.30979234
412.78275835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3574208911 (a.u.)
total exchange computation time: 2.8227949142 s
-154.1014666448
-931.39404653
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.258 s
total exchange = -52.3571072250 (a.u.)
total exchange computation time: 2.8257880211 s
-154.1049020060
Anderson extrapolation: theta=1.3577784015 (1.3577784015)
-931.39427586
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3565974896 (a.u.)
total exchange computation time: 2.8240709305 s
-154.1101933641
Anderson extrapolation: theta=0.0550060760 (0.0550060760)
-931.39441512
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3565018537 (a.u.)
total exchange computation time: 2.8227701187 s
-154.1110333416
Anderson extrapolation: theta=2.0424263548 (2.0000000000)
-931.39442102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3562908541 (a.u.)
total exchange computation time: 2.8246929646 s
-154.1128245998
Anderson extrapolation: theta=0.2546830229 (0.2546830229)
-931.39442789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3562346904 (a.u.)
total exchange computation time: 2.8237369061 s
-154.1132541552
Anderson extrapolation: theta=1.7069181363 (1.7069181363)
-931.39442934
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.258 s
total exchange = -52.3561598255 (a.u.)
total exchange computation time: 2.8256652355 s
-154.1137789877
Anderson extrapolation: theta=0.3118842360 (0.3118842360)
-931.39443099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3561578705 (a.u.)
total exchange computation time: 2.8230361938 s
-154.1137418436
Anderson extrapolation: theta=1.1916614471 (1.1916614471)
-931.39443140
-123.120319 -12.525527 -36.283403
567.038750 1067.193790 -418.121712
443.918431 1054.668263 -454.405114
1231.207832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0596656977
ExchangeOperator: pair fraction: ispin=0: 0.1475175771
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3561714526 (a.u.)
total exchange computation time: 2.8235590458 s
678.55972036
-1083.44408982
89.89376053
-389.27637074
-174.77128054
78.13615444
551.60419304
0.00000000
-931.39443165
5.24474575 -31.38017609 -3.76753359
-0.00053692 -0.00005141 0.00008430
-0.00718102 0.02858642 -0.01253340
-11.85516553 -0.88641940 -11.78445408
0.00006484 0.00011332 0.00016536
0.00427442 -0.00447509 0.00718041
-37.84824608 2.47142920 3.15184709
0.00014338 0.00032795 -0.00013976
0.01777277 -0.00988568 0.00960943
-10.06445179 -2.60566945 2.62592983
-0.00026071 0.00020205 0.00029776
-0.02409449 0.01984773 -0.00387121
0.95701688 -0.45855616 8.92838799
0.00022261 -0.00029012 -0.00014779
-0.00605277 -0.01528649 -0.05518516
-32.38302780 2.66540633 1.79954245
-0.00011238 -0.00015348 -0.00008412
-0.03003243 0.03578949 -0.01554814
14.20406179 13.93492662 -14.61227640
0.00007841 0.00027306 -0.00013021
0.01374285 -0.00803642 0.01982383
-4.45759130 7.00019761 3.92107318
-0.00041858 -0.00005379 -0.00001744
-0.00145240 -0.01957376 0.00213605
5.97602652 16.62123289 -8.19414104
0.00013683 -0.00016968 0.00040047
0.00490339 -0.01253333 -0.01359122
6.65820672 7.36502134 -20.95246318
-0.00006096 0.00021461 -0.00000221
-0.00055338 -0.00041189 -0.00896469
23.33554870 17.06458074 -2.03489361
0.00008131 -0.00013281 0.00009285
-0.01438741 -0.01280827 0.00723555
1.45554319 12.93030230 -20.82724168
0.00014778 -0.00005254 0.00016313
0.00960610 -0.01625485 0.01176658
10.42821092 -3.52628194 -1.78489059
-0.00001909 0.00003827 -0.00032590
0.01118988 0.04039820 -0.01057871
-17.72079385 -2.77295059 4.78729106
0.00017696 -0.00024981 -0.00002607
0.00161205 -0.00680775 -0.01604257
-15.16562790 0.01545130 18.43411945
0.00026711 -0.00017990 -0.00024393
0.01295145 0.01436840 -0.00643879
2.33679602 2.85850427 -2.75681250
-0.00047549 0.00009144 0.00006493
0.03556186 -0.00696145 -0.03244234
23.53778733 -7.99549446 -9.80124094
0.00025236 -0.00014904 -0.00011712
-0.01922272 -0.02701914 -0.01737252
1.69131501 -7.80301270 6.79526654
0.00023566 0.00020410 0.00020401
-0.02062338 0.02604808 0.00973829
-3.39444569 -0.82906394 -17.88219882
0.00039247 0.00017565 0.00023846
-0.00217775 -0.01358680 -0.00453865
2.89617049 4.22071298 -10.42043126
-0.00050752 -0.00002022 0.00018713
-0.00822400 0.01250135 -0.02510550
-2.61988275 16.90041711 14.01604083
0.00011235 0.00008911 0.00015655
0.01983519 -0.02754536 -0.03009388
-2.24343509 2.13160672 -6.99624743
-0.00001579 -0.00010250 -0.00006633
-0.00270270 -0.00285423 -0.00103230
-6.86444930 -2.06786636 -4.57855069
-0.00033731 -0.00003739 -0.00000510
0.00379506 0.03518228 0.01772044
0.33867584 28.34057139 7.30281413
-0.00017801 -0.00003572 -0.00026841
0.00035711 -0.00171905 0.03598268
10.17989108 -9.18278754 -1.65939230
0.00016355 -0.00011148 -0.00016833
0.02287589 -0.00012477 0.02027048
-7.02818302 0.72745776 7.80229570
-0.00032011 0.00053103 0.00005021
0.01752291 0.01400919 -0.01457248
18.92577755 11.61100278 6.50379575
0.00022370 0.00005554 0.00036123
-0.02363313 0.00035109 -0.01486709
-3.43003712 -3.67728163 -23.21110418
-0.00023737 0.00044278 0.00002040
-0.05216584 -0.00073959 -0.03765555
-13.63061945 8.37618039 8.55884773
0.00011275 0.00010853 0.00020726
0.01540956 0.00728234 -0.00172720
-12.32735579 7.29072564 -2.97397962
-0.00021219 -0.00019267 -0.00020778
-0.01432362 -0.02032169 -0.00956952
-3.62758725 -16.52159612 20.58939472
-0.00015030 -0.00011812 0.00018452
-0.00542421 0.00476783 -0.00053259
-3.70957964 7.20485064 -7.85261675
-0.00037950 0.00035726 0.00002714
-0.00520130 0.00758070 0.03477182
-20.63502413 29.77056908 1.29338007
-0.00000688 0.00019348 -0.00001233
-0.05271464 0.00921308 0.01810967
9.86009330 3.11244803 7.36267791
-0.00017871 0.00014814 -0.00006481
0.01567617 0.04239412 0.04227513
6.44828243 14.67750787 -12.78138795
0.00024262 -0.00006432 0.00038891
0.04552936 -0.01555827 -0.01287215
14.11972178 3.57372445 -2.69557250
-0.00023147 -0.00021084 -0.00003387
0.02321540 0.00394368 -0.04189927
-6.15315676 10.88329186 -0.32104323
0.00020761 -0.00023226 -0.00003123
-0.01043414 0.03553386 -0.00148329
6.28106397 13.52727895 3.17574574
0.00028676 0.00041443 0.00012215
0.03191971 -0.02323583 -0.01115016
21.80303422 -12.13927856 -11.78598903
-0.00000743 -0.00003212 0.00000407
0.01894123 0.01427922 -0.01405325
16.92690585 -6.30072028 3.35311827
0.00037148 0.00015648 -0.00027646
0.01219710 0.03988085 -0.03448816
15.39849752 6.97087151 9.56184060
0.00014102 -0.00034279 -0.00038704
0.02239666 -0.02030025 -0.01222324
3.00399219 -13.70990137 16.10927268
-0.00008105 0.00009274 -0.00038742
-0.03514715 0.03592971 0.01667448
-3.58643680 -1.23914518 -10.91064539
0.00002056 -0.00024152 -0.00008200
-0.03406177 -0.00712475 0.03353638
15.31820911 -7.75921724 -9.53156008
-0.00010610 0.00008359 -0.00005484
-0.01897857 -0.02292406 -0.03693213
9.28117685 -3.86825076 6.40848638
0.00035428 -0.00057786 0.00028176
-0.01731241 -0.00558343 0.04727964
-21.67257596 1.59090809 24.42663622
-0.00008926 0.00007007 -0.00007466
0.00143518 -0.00968298 -0.01274855
24.88114559 -1.74974607 -6.58538962
-0.00004791 -0.00001387 -0.00021012
-0.00360116 0.00203246 0.00993800
11.97721805 -11.95289490 -10.08732700
0.00027330 -0.00018619 -0.00000325
-0.01555111 -0.01084629 0.00645679
-4.69149006 -10.54455530 16.59057572
0.00007376 -0.00038581 -0.00007866
0.01299629 -0.01291616 0.00826659
8.24435603 2.58932099 -31.06623334
0.00005710 0.00019655 -0.00049744
-0.02171190 0.00869021 -0.00591671
11.02831021 16.88196482 14.55676678
0.00017771 -0.00019656 -0.00029428
0.01935444 -0.00952572 -0.02643032
30.63037233 7.21569596 -7.34581251
-0.00022241 0.00000593 0.00023387
-0.04893085 0.00867522 -0.02810996
5.43924489 -30.15429068 -5.21062244
-0.00009649 -0.00006658 -0.00069748
0.00227935 -0.01695894 0.01387972
4.22817653 -30.36998906 -2.59353200
0.00082763 0.00003937 0.00039318
0.00155110 -0.00899356 -0.00361931
-12.55951375 -1.96288095 -13.09855550
0.00053656 -0.00041772 0.00049195
0.00099696 -0.00988881 -0.00442376
-11.83043313 0.72014892 -12.68279274
-0.00036194 -0.00007309 -0.00156963
0.00119490 0.00767548 -0.00529610
-37.86911623 4.28283997 2.84584792
-0.00051083 -0.00072093 0.00059543
-0.01711489 0.00019938 -0.00412468
-39.46712980 1.69272220 3.45841871
0.00027597 0.00011229 -0.00012033
-0.00423831 0.01106475 -0.00406889
-10.35057883 -3.33631166 0.98683100
-0.00109754 0.00083461 0.00031126
-0.00286928 0.00265574 -0.01049640
-8.63044522 -3.37882903 3.26714345
0.00093235 -0.00013970 -0.00037558
0.04247593 -0.01955306 0.01488407
0.81292348 -0.72190196 7.02118798
0.00097202 -0.00049106 -0.00028432
0.00089480 -0.00137971 0.04249829
1.73700960 1.16192668 8.91994869
-0.00031193 0.00014881 0.00068801
0.00521339 0.01322239 0.01266903
-32.83551675 0.94134020 1.83430224
-0.00025695 -0.00027439 -0.00024475
0.00389109 -0.03713581 0.01286200
-34.09657037 3.37768552 1.45943334
0.00060947 0.00002087 -0.00021018
0.02543294 -0.00210854 0.00987987
12.79771566 13.05715714 -15.32430776
0.00142369 0.00059784 0.00032013
-0.01224808 -0.00514921 -0.00718840
15.54253438 12.64582291 -14.68388533
0.00037499 -0.00076283 -0.00108689
0.00233521 0.00897846 -0.01142748
-4.11420175 8.72784913 4.38617816
-0.00057263 -0.00019680 0.00032041
0.00299389 0.00754073 -0.00280061
-3.84164557 6.64372591 2.22628609
-0.00010288 -0.00142521 -0.00123291
-0.00090500 0.00627188 0.00331399
6.21593104 15.71313815 -9.90553875
0.00034785 0.00021750 0.00021428
-0.00186228 0.01481938 0.02382408
7.72155019 17.03715566 -7.67948888
0.00041776 -0.00019696 0.00007338
-0.00698573 -0.00838875 -0.00484233
7.48691605 7.29037266 -22.59775833
-0.00077661 -0.00047996 0.00059623
0.00167374 -0.01014210 -0.00791782
7.70204893 8.65798397 -20.20847185
-0.00043441 0.00044830 -0.00050791
0.00602738 0.00227499 0.01530102
21.50292572 17.36800195 -2.27658093
-0.00028391 -0.00071010 0.00102898
0.01412490 0.00050921 0.00930919
24.12442118 17.80154480 -3.46355493
-0.00076070 0.00032762 -0.00030026
0.00980607 0.01373232 -0.01855557
0.92610666 11.13888072 -20.74707858
-0.00080313 -0.00012533 0.00071515
-0.00144720 0.01800119 -0.01201871
0.75404563 13.92887643 -22.17123113
0.00005751 0.00029452 0.00003725
-0.00586533 -0.00473837 -0.00398942
10.16316349 -5.25570971 -1.75047275
0.00070850 -0.00149593 -0.00016641
-0.00833962 -0.05370089 -0.00386161
10.04903483 -2.97269773 -3.48297654
0.00048892 -0.00026081 -0.00088830
-0.00862747 -0.00042732 0.00402247
-18.42680266 -4.28912776 5.55442128
0.00028483 -0.00038789 0.00121848
-0.00336839 -0.00207497 -0.00033193
-17.66580697 -3.19590177 2.98261881
-0.00085638 0.00034767 -0.00024627
-0.00205411 0.00225593 0.01514455
-15.34424901 0.59220248 16.68237789
0.00023212 0.00058831 -0.00037761
0.00401642 -0.00153691 0.00940106
-13.87390991 1.12268671 19.17543693
-0.00055364 0.00023801 0.00049458
-0.01500324 -0.00881962 -0.00773881
3.11829623 4.21419363 -3.75795214
-0.00049772 0.00097143 0.00131208
-0.01614234 0.00181833 0.01342480
3.54913304 1.53878526 -3.38399410
0.00024400 0.00086123 0.00012784
-0.02004721 0.00507817 0.01717999
23.38113541 -9.80102678 -10.48626069
-0.00020990 -0.00050237 -0.00019229
-0.00492616 0.02649933 0.01487713
25.00962712 -7.89002094 -8.79635263
0.00008798 0.00048687 -0.00056368
0.01841847 0.00371980 0.00928174
2.35584932 -9.15540811 5.82575924
0.00004834 0.00004863 0.00031851
0.01021661 -0.00983577 -0.00089758
1.83005461 -8.02916339 8.61588897
-0.00072028 0.00074827 -0.00053922
0.00863743 -0.00207582 -0.01288064
-3.29375096 -2.64670250 -18.04375200
0.00032877 0.00104256 -0.00022663
0.00295639 -0.00130040 0.00054441
-4.95541576 -0.62348401 -16.94022498
0.00066826 -0.00014927 0.00036635
-0.00303556 0.01116635 0.00597320
2.15997569 4.99323186 -12.02013620
0.00071682 0.00025092 0.00028234
0.00477447 -0.01321810 0.03652908
1.70355864 4.39807845 -9.02552305
-0.00013372 0.00028310 0.00060138
0.00323925 -0.00116064 -0.01494514
-1.12163747 15.75310165 13.64691157
-0.00034336 -0.00134131 0.00004039
-0.01076795 0.01254592 -0.01399099
-2.44754170 16.99168619 15.75616662
-0.00065254 -0.00017128 0.00005260
-0.00697122 0.00788583 0.04460580
-2.18290848 1.42532831 -5.31296144
-0.00063275 0.00058011 0.00081326
-0.00009040 0.00169081 -0.00522933
-3.13913973 0.93411793 -8.11758951
0.00026091 0.00130216 0.00058505
0.00668671 0.00475726 0.00212934
-8.37976000 -2.98313270 -4.24729627
0.00061758 0.00056705 0.00051556
-0.01156150 -0.01606075 -0.00075883
-7.37577642 -0.35829800 -3.97119058
0.00025354 -0.00024882 -0.00065759
0.01056130 -0.01460275 -0.01360483
1.32098061 28.23374627 5.83857388
-0.00006221 0.00024381 0.00065798
0.01266702 -0.00055969 -0.03292994
-1.39480756 28.07715378 6.83784311
0.00136456 0.00003974 0.00077773
-0.00749821 0.00040602 -0.00962106
8.40882227 -9.42814480 -1.93309304
-0.00020332 -0.00008529 -0.00002045
-0.01550258 0.00143561 -0.00189459
10.56240346 -9.54168994 0.16374682
0.00104744 0.00093697 -0.00064863
-0.00639852 0.00095571 -0.02447488
-5.87445467 0.22529347 9.14515637
0.00025166 -0.00130324 0.00053615
0.00055083 -0.00558530 0.00552017
-8.52560861 -0.21734426 8.03665140
0.00031689 -0.00028764 0.00048670
-0.01606597 -0.01207842 0.00816719
19.48859956 11.17419809 8.14390239
0.00003878 -0.00098291 -0.00045126
0.01230467 -0.01314577 0.02104263
19.65404631 13.24547161 6.26667769
0.00018645 -0.00071704 0.00009677
0.00789367 0.01171845 -0.01044405
-2.92961718 -2.04379042 -22.78327409
-0.00045161 -0.00030989 -0.00022445
0.02611182 0.03122686 0.02554931
-4.87722890 -2.98864275 -24.34829755
-0.00001655 0.00038932 -0.00044705
0.01599480 -0.03011531 0.00677972
-12.49476758 9.05839976 9.85475062
-0.00030330 -0.00036476 0.00079109
-0.00606712 -0.00303436 -0.00327742
-12.83363702 9.06951866 7.02607707
0.00000215 0.00024015 0.00014486
-0.00726790 -0.00685925 0.00095287
-13.20750652 7.45932974 -4.71293257
-0.00059536 -0.00010310 -0.00003532
0.01353279 -0.01372975 0.01662142
-12.05788802 9.00173386 -2.59748252
-0.00043185 0.00026503 -0.00005429
0.01308119 0.03277671 0.01322910
-5.23423680 -17.26067879 19.90299241
-0.00132628 -0.00028970 -0.00010710
0.01897230 0.00436601 0.00288293
-2.33945062 -16.23473861 19.31689345
-0.00090027 0.00081642 0.00012386
-0.01077064 -0.00719136 0.00429688
-3.22731807 5.47941229 -7.29551121
0.00042261 0.00020771 -0.00037581
-0.00886365 0.01190004 -0.00269228
-4.44467993 8.23928586 -6.33782315
-0.00063026 -0.00050443 -0.00016423
0.02295289 -0.02078327 -0.04365052
-21.18806593 28.04478466 1.17270223
-0.00006387 -0.00010376 0.00125630
0.00388993 -0.00701781 -0.00454085
-18.96611297 29.93845078 0.77579431
0.00038798 0.00057187 -0.00099244
0.04413197 -0.00657074 -0.00857804
8.34149935 2.69658460 6.47283135
0.00090435 0.00027486 -0.00005437
-0.01289726 0.00401788 -0.01334522
9.60206849 4.74554016 8.41564891
0.00058919 -0.00057818 -0.00008277
-0.00595224 -0.03511651 -0.03305444
7.43741738 16.09486005 -13.51583064
0.00085113 0.00183014 0.00096091
-0.01038834 -0.01020949 -0.00137594
7.60186487 13.23362897 -13.26180185
0.00037127 0.00147816 0.00009937
-0.02890027 0.02315022 0.01131383
12.95078893 4.90614722 -3.01126364
0.00029042 -0.00079154 0.00029735
-0.01185992 0.02101982 -0.01358195
13.26417438 2.82475123 -1.35837182
0.00097252 -0.00057804 0.00098831
-0.01216965 -0.02175124 0.04989846
-4.86635902 9.81669735 -0.87442276
0.00035705 0.00015183 -0.00113095
0.02765972 -0.02889686 -0.00610178
-7.64834368 9.88568374 -0.35341337
0.00084111 -0.00018559 0.00061555
-0.01194199 -0.00654006 0.00644767
4.94605146 13.22636780 1.95245555
0.00023850 -0.00006915 -0.00062746
-0.00606609 -0.00116972 0.00456198
7.68097879 12.29153885 2.75250135
-0.00075969 0.00085138 0.00060851
-0.02621584 0.02732515 0.01350467
21.24425690 -13.16107406 -10.44257665
-0.00018581 -0.00040933 -0.00061167
-0.01561450 -0.01826594 0.02369938
22.81580779 -13.23733946 -12.87640155
-0.00038158 0.00125400 0.00008931
-0.00961900 -0.00092740 -0.00128323
17.39387366 -5.53862545 1.63830822
-0.00098749 0.00087172 0.00002275
-0.00758246 -0.02240489 0.03326660
16.30165052 -7.95942545 3.04156373
-0.00059628 -0.00043015 0.00045648
-0.00336566 -0.01169002 -0.00536853
14.42617139 8.17750045 10.44482878
-0.00022525 0.00020488 -0.00057133
-0.01676331 0.01513823 0.01506519
16.77300929 6.56462315 10.72380410
0.00001854 0.00012388 -0.00008813
-0.01038101 0.00315897 -0.00224211
1.18605013 -13.32244981 15.83887564
-0.00070519 -0.00012329 0.00163406
0.01898089 -0.01808271 -0.00654926
3.25978954 -12.18531123 17.19797553
-0.00022563 0.00015601 -0.00070174
0.01842084 -0.01745620 -0.00910976
-3.53923555 -2.71036178 -9.71273577
-0.00024551 -0.00014178 0.00017550
0.00121022 0.01343252 -0.01904434
-2.04364221 -1.31366304 -11.80013680
-0.00043861 -0.00028378 -0.00000929
0.03127898 0.00427772 -0.01582675
14.85881469 -8.08747387 -11.47227677
-0.00043056 -0.00005059 -0.00010354
0.01920955 0.02023862 0.04232046
17.01608988 -7.05410888 -9.17952312
-0.00045992 0.00012857 -0.00000987
-0.00885901 0.00440018 -0.01089809
7.73233359 -3.44351700 5.57560041
-0.00001259 -0.00074762 -0.00072513
-0.01887280 0.00613965 -0.00882310
10.43712631 -4.20388009 5.10936143
-0.00054022 0.00000942 0.00016440
0.02113512 -0.00036108 -0.02425080
-20.84798076 0.84639696 22.93249904
0.00012051 -0.00007589 0.00032520
-0.01355099 0.01223102 0.01409234
-23.34853725 0.77882275 24.65914908
-0.00063446 -0.00005892 -0.00044307
0.01773748 0.00650808 0.00350829
26.02845455 -2.58230629 -7.75435168
0.00024814 -0.00023709 0.00087219
-0.00685783 -0.00208532 -0.00354402
23.61333419 -0.75705206 -7.44921992
0.00015240 -0.00028931 -0.00040733
0.00784322 -0.00480392 -0.00552800
10.84226250 -12.46068256 -8.71131537
-0.00009392 0.00135990 -0.00075814
0.00588033 -0.00301513 -0.00590766
13.11100710 -10.71600406 -9.42365345
0.00021161 -0.00103086 -0.00003769
0.00929996 0.01206586 0.00399215
-5.52459620 -10.42231211 18.22478016
-0.00013321 0.00019732 0.00043858
-0.00844825 0.00800262 -0.00689912
-5.64614898 -9.90085431 15.16624105
0.00158433 -0.00001091 0.00049720
-0.00861429 0.00478996 0.00703699
9.08190996 1.07773196 -31.63963209
-0.00051964 -0.00035992 0.00057117
0.00888494 -0.01289426 -0.00610466
6.93329092 2.84523898 -32.36473909
0.00031906 0.00038887 -0.00080394
0.00600927 -0.00080434 0.01700635
11.39483400 17.67703608 12.89398337
-0.00018438 -0.00006074 0.00012129
-0.00418997 -0.00132438 0.02335898
12.07363049 15.32023138 14.36465063
0.00064988 -0.00032338 -0.00007688
-0.01016536 0.02392535 0.00647314
31.10421046 5.49261142 -7.93711089
0.00001044 -0.00022686 -0.00042787
-0.00806969 0.00483382 0.00211922
28.72759528 7.38571365 -7.71381230
0.00102042 -0.00001396 -0.00031423
0.04506849 -0.00413464 0.00834210
-8.34657472 4.81167942 5.67049788
0.00015867 -0.00003081 0.00003915
0.00614128 0.00092405 -0.00062906
-10.73623864 10.11479280 3.33880069
-0.00003389 -0.00005546 -0.00004693
-0.00508011 0.00030934 0.00696648
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08310094
0.31133072
414.83256991
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3659096479 (a.u.)
total exchange computation time: 2.8017110825 s
-154.1306807962
-931.39543073
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3654933136 (a.u.)
total exchange computation time: 2.8037841320 s
-154.1348042409
Anderson extrapolation: theta=1.3731338601 (1.3731338601)
-931.39565751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3648101966 (a.u.)
total exchange computation time: 2.8001909256 s
-154.1412192221
Anderson extrapolation: theta=0.0611824961 (0.0611824961)
-931.39579870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3646792953 (a.u.)
total exchange computation time: 2.8035390377 s
-154.1422544836
Anderson extrapolation: theta=2.2005632581 (2.0000000000)
-931.39580590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3643878577 (a.u.)
total exchange computation time: 2.7995700836 s
-154.1444752289
Anderson extrapolation: theta=0.3459111528 (0.3459111528)
-931.39581528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3642826189 (a.u.)
total exchange computation time: 2.8014340401 s
-154.1452038595
Anderson extrapolation: theta=1.2611322816 (1.2611322816)
-931.39581782
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3641711281 (a.u.)
total exchange computation time: 2.8038148880 s
-154.1458994583
Anderson extrapolation: theta=0.4343208184 (0.4343208184)
-931.39582020
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3641469510 (a.u.)
total exchange computation time: 2.8011431694 s
-154.1459721070
Anderson extrapolation: theta=0.9011314809 (0.9011314809)
-931.39582104
-123.120198 -12.563837 -36.244441
567.063453 1067.207804 -418.101310
443.943256 1054.643967 -454.345750
1231.174062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0597383721
ExchangeOperator: pair fraction: ispin=0: 0.1479069767
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3641447574 (a.u.)
total exchange computation time: 2.8042011261 s
678.68739916
-1083.69938189
89.87336457
-389.10177904
-174.79127963
78.27744931
551.60419304
0.00000000
-931.39582159
5.23666426 -31.38083704 -3.76631745
-0.00053982 -0.00003685 0.00007665
-0.00411037 0.02803461 -0.01720601
-11.85417641 -0.88473680 -11.78194593
0.00006705 0.00011207 0.00016835
0.00431168 -0.00040865 0.00444529
-37.84602680 2.47631030 3.14978775
0.00015245 0.00032082 -0.00013453
0.01749455 -0.01783263 0.01072697
-10.06845540 -2.60256207 2.63038126
-0.00027115 0.00021138 0.00029694
-0.01649864 0.01641329 0.00069643
0.96033273 -0.46296690 8.92595831
0.00021973 -0.00029771 -0.00017608
-0.00514094 -0.01422098 -0.05482793
-32.38482938 2.66324222 1.79822067
-0.00012697 -0.00013593 -0.00009196
-0.02667558 0.03244964 -0.01493085
14.20529090 13.93899154 -14.61415310
0.00008895 0.00026896 -0.00011909
0.02727023 -0.00792806 0.02341387
-4.46387559 6.99931526 3.92081984
-0.00041867 -0.00006480 -0.00001863
0.00109777 -0.02323771 -0.00677464
5.97809783 16.61863938 -8.18818638
0.00013967 -0.00017603 0.00039353
0.00616485 -0.01217801 -0.01339214
6.65729012 7.36823887 -20.95253084
-0.00006220 0.00021417 -0.00000576
-0.00425363 -0.00130832 -0.00485095
23.33671291 17.06253915 -2.03347290
0.00007387 -0.00013924 0.00009636
-0.01454861 -0.01217973 0.00639593
1.45779689 12.92945150 -20.82474932
0.00015232 -0.00006102 0.00016875
0.00807753 -0.01672481 0.01008881
10.42796781 -3.52555205 -1.78981988
-0.00001399 0.00005563 -0.00033164
0.00860811 0.02710072 -0.01173966
-17.71813330 -2.77672396 4.78683809
0.00017747 -0.00025393 -0.00003374
0.00040809 -0.00921593 -0.01377801
-15.16157133 0.01280817 18.43043562
0.00027355 -0.00017231 -0.00024784
0.01208181 0.01517267 -0.00875725
2.32980079 2.85984900 -2.75596363
-0.00045733 0.00008799 0.00004849
0.03506466 -0.00643342 -0.03149350
23.54149863 -7.99783426 -9.80306476
0.00024160 -0.00016325 -0.00012658
-0.02264365 -0.02824976 -0.01939448
1.69477033 -7.79985072 6.79836418
0.00022490 0.00021774 0.00020723
-0.02119272 0.02700083 0.00278367
-3.38856700 -0.82648158 -17.87863943
0.00039143 0.00017018 0.00023612
-0.00186668 -0.00767609 -0.00455575
2.88852593 4.22045790 -10.41772114
-0.00051133 -0.00001416 0.00017487
-0.00658254 0.01108221 -0.02259012
-2.61812102 16.90164752 14.01827298
0.00012285 0.00007446 0.00014064
0.02098999 -0.02941276 -0.03177818
-2.24368244 2.13005823 -6.99724630
-0.00001596 -0.00010261 -0.00006450
0.00205469 0.00243615 0.00814972
-6.86949426 -2.06829156 -4.57855884
-0.00033326 -0.00001902 0.00000328
0.01195818 0.03625083 0.01488214
0.33600702 28.34002902 7.29892684
-0.00017516 -0.00003593 -0.00024763
0.01072293 0.00088853 0.04478899
10.18243257 -9.18446018 -1.66183903
0.00017457 -0.00011130 -0.00015890
0.01998285 0.00079795 0.01638231
-7.03291707 0.73547729 7.80299267
-0.00030977 0.00053734 0.00004449
0.02267902 0.01052903 -0.00767874
18.92904186 11.61183717 6.50915689
0.00021048 0.00005465 0.00035265
-0.02775725 -0.00380455 -0.01849083
-3.43379896 -3.67064275 -23.21094347
-0.00026476 0.00044074 0.00000051
-0.05434051 -0.00721026 -0.03966649
-13.62886883 8.37783636 8.56194990
0.00012053 0.00011215 0.00020634
0.01484297 0.00679932 -0.00184919
-12.33059393 7.28775716 -2.97713322
-0.00021938 -0.00020197 -0.00021235
-0.01362393 -0.01582920 -0.00818934
-3.62986268 -16.52334959 20.59216051
-0.00015492 -0.00011641 0.00018420
-0.01254908 0.00191370 -0.00072771
-3.71529220 7.21023882 -7.85207549
-0.00038181 0.00036038 0.00004457
-0.00379290 0.00455307 0.03301358
-20.63533068 29.77350687 1.29326497
-0.00003240 0.00019810 -0.00000355
-0.04651224 0.00871989 0.01604134
9.85747309 3.11483361 7.36186883
-0.00016877 0.00016943 -0.00004261
0.02298299 0.04041952 0.04405673
6.45209740 14.67648303 -12.77560400
0.00026628 -0.00006907 0.00038185
0.04647518 -0.00292398 -0.01456109
14.11633930 3.57057713 -2.69624217
-0.00021878 -0.00021051 -0.00005435
0.02611451 -0.00267961 -0.03775377
-6.15008284 10.87994506 -0.32151739
0.00020381 -0.00021373 -0.00003222
-0.00436255 0.03651119 -0.00237444
6.28548852 13.53340580 3.17753493
0.00030099 0.00040332 0.00011588
0.02341470 -0.01998663 -0.01320539
21.80299580 -12.13970531 -11.78598218
0.00000138 -0.00002354 -0.00000231
0.01530878 0.01908584 -0.01074925
16.93252516 -6.29821930 3.34883834
0.00037694 0.00017542 -0.00029378
0.00900827 0.03379634 -0.03286419
15.40069928 6.96565130 9.55598782
0.00015184 -0.00035234 -0.00039270
0.01967614 -0.01682303 -0.00978442
3.00264082 -13.70837167 16.10352564
-0.00009970 0.00011110 -0.00037886
-0.03735172 0.03545096 0.01663092
-3.58625973 -1.24279542 -10.91174597
0.00000226 -0.00024512 -0.00006446
-0.03713017 -0.00687451 0.03466666
15.31654434 -7.75805184 -9.53252521
-0.00011636 0.00007159 -0.00007390
-0.02090135 -0.02371813 -0.03718699
9.28642424 -3.87694024 6.41289516
0.00034312 -0.00058010 0.00030607
-0.02609003 -0.00310685 0.04725972
-21.67390938 1.59192183 24.42546710
-0.00008934 0.00006491 -0.00008085
-0.00172392 -0.01038346 -0.01130751
24.88041302 -1.74994624 -6.58850307
-0.00004995 -0.00001270 -0.00020419
-0.00434150 0.00249577 0.01309985
11.98125754 -11.95572956 -10.08735078
0.00026531 -0.00019215 -0.00000124
-0.01549587 -0.01232108 0.00132906
-4.69033348 -10.55039223 16.58942778
0.00008109 -0.00039308 -0.00007174
0.01548490 -0.01536885 0.01862131
8.24512881 2.59230283 -31.07371771
0.00004581 0.00020127 -0.00050040
-0.02219608 0.00966815 -0.00558819
11.03105049 16.87897962 14.55225061
0.00018766 -0.00020205 -0.00030720
0.01935638 -0.01181519 -0.02381822
30.62684740 7.21581833 -7.34241286
-0.00024597 0.00000958 0.00021914
-0.04268641 0.00552067 -0.02916981
5.43786746 -30.15580900 -5.22065929
-0.00008874 -0.00013906 -0.00063489
0.00151204 -0.01852260 0.01675944
4.24063855 -30.36967407 -2.58774523
0.00082953 0.00000724 0.00038183
-0.00062340 -0.00673334 -0.00193733
-12.55143481 -1.96944974 -13.09131181
0.00054009 -0.00045935 0.00047376
0.00073125 -0.01048804 -0.00447923
-11.83582560 0.71928777 -12.70649949
-0.00035701 -0.00004863 -0.00158518
0.00121715 0.00429885 -0.00231763
-37.87730321 4.27203217 2.85465296
-0.00058018 -0.00070364 0.00057589
-0.01683223 0.00826329 -0.00543862
-39.46312016 1.69474560 3.45648911
0.00025880 0.00015671 -0.00013655
-0.00416758 0.01068051 -0.00387165
-10.36712988 -3.32371118 0.99117833
-0.00110913 0.00084402 0.00026632
-0.00280437 0.00195062 -0.01150286
-8.61515840 -3.38152364 3.26196586
0.00108945 -0.00021143 -0.00032286
0.03442570 -0.01555964 0.01092031
0.82753113 -0.72931012 7.01822551
0.00097572 -0.00049540 -0.00011028
0.00091818 -0.00074556 0.04269403
1.73249035 1.16456406 8.93065702
-0.00029250 0.00019944 0.00073876
0.00429925 0.01156166 0.01217460
-32.83925172 0.93608634 1.83102511
-0.00024019 -0.00042211 -0.00019204
0.00431333 -0.03517030 0.01293890
-34.08664898 3.37793397 1.45658339
0.00070599 0.00001528 -0.00017128
0.02181331 -0.00062663 0.00916025
12.81869576 13.06596698 -15.31972609
0.00135303 0.00056660 0.00028154
-0.02234434 -0.01014193 -0.01170138
15.54823083 12.63465565 -14.70053891
0.00037756 -0.00071600 -0.00113112
-0.00108033 0.01394457 -0.01022250
-4.12269948 8.72512820 4.39089854
-0.00055919 -0.00016539 0.00030674
0.00358344 0.00783321 -0.00389261
-3.84321648 6.62253996 2.20789395
-0.00011311 -0.00139274 -0.00119992
-0.00410297 0.00962080 0.01283584
6.22109171 15.71685478 -9.90159458
0.00033937 0.00027682 0.00031122
-0.00228628 0.01421670 0.02363163
7.72760251 17.03394424 -7.67853657
0.00038753 -0.00023140 0.00005399
-0.00781361 -0.00847024 -0.00465068
7.47531814 7.28286255 -22.58905751
-0.00076442 -0.00052147 0.00055402
0.00429349 -0.01017794 -0.01274246
7.69571751 8.66477820 -20.21562169
-0.00040759 0.00046010 -0.00044432
0.00710077 0.00349852 0.01582801
21.49909989 17.35736600 -2.26086100
-0.00022445 -0.00070760 0.00106631
0.01497916 0.00071743 0.00896291
24.11331115 17.80687993 -3.46862744
-0.00072250 0.00038239 -0.00037367
0.00889482 0.01307500 -0.01737678
0.91401535 11.13755243 -20.73671956
-0.00080726 -0.00004799 0.00066548
-0.00057258 0.01985632 -0.01229691
0.75472853 13.93314909 -22.17079455
0.00003548 0.00027218 0.00002484
-0.00491718 -0.00620107 -0.00208881
10.17353538 -5.27979422 -1.75308718
0.00067935 -0.00168618 -0.00018353
-0.00592573 -0.03942938 -0.00452180
10.05610431 -2.97662291 -3.49617777
0.00045442 -0.00026475 -0.00086749
-0.00826301 -0.00150323 0.00616229
-18.42263342 -4.29500965 5.57268835
0.00027430 -0.00038982 0.00121109
-0.00178707 0.00112688 -0.00328519
-17.67871565 -3.19061760 2.97938880
-0.00086527 0.00035502 -0.00018317
-0.00229763 0.00134306 0.01574307
-15.34064408 0.60097998 16.67700175
0.00024890 0.00058049 -0.00033441
0.00419791 -0.00228706 0.01174653
-13.88267432 1.12598661 19.18261855
-0.00061379 0.00020234 0.00046294
-0.01443833 -0.00864286 -0.00775130
3.11033582 4.22882072 -3.73785957
-0.00056310 0.00098000 0.00136539
-0.01586268 0.00237871 0.01266877
3.55217877 1.55185930 -3.38155001
0.00016282 0.00088043 0.00019676
-0.01969313 0.00432273 0.01655623
23.37783594 -9.80775034 -10.48868918
-0.00022838 -0.00039111 -0.00012997
-0.00412174 0.02796318 0.01563055
25.01151122 -7.88260384 -8.80452346
0.00016759 0.00050163 -0.00052304
0.02055001 0.00350102 0.01061576
2.35688757 -9.15498003 5.83050931
0.00008996 0.00000889 0.00031543
0.01015496 -0.00961889 -0.00060660
1.81951503 -8.01800288 8.60740603
-0.00068354 0.00073731 -0.00057808
0.00935060 -0.00328973 -0.00614284
-3.28872883 -2.63110398 -18.04713479
0.00034220 0.00102401 -0.00022578
0.00361736 -0.00777692 -0.00012660
-4.94548493 -0.62538082 -16.93454673
0.00065323 -0.00010259 0.00039210
-0.00431828 0.01168041 0.00663083
2.17087434 4.99659064 -12.01478169
0.00073258 0.00019926 0.00042836
0.00293815 -0.01207096 0.03494938
1.70165210 4.40228939 -9.01696038
-0.00012007 0.00027891 0.00053835
0.00344036 -0.00089232 -0.01590723
-1.12711786 15.73336640 13.64708862
-0.00038985 -0.00128581 -0.00001470
-0.01198760 0.01462083 -0.01297470
-2.45754337 16.98935861 15.75832250
-0.00068014 -0.00013950 0.00023623
-0.00654135 0.00767245 0.04528423
-2.19240257 1.43408177 -5.30092280
-0.00063351 0.00058947 0.00078350
-0.00028171 0.00289104 -0.00933669
-3.13502121 0.95379610 -8.10874856
0.00027891 0.00130868 0.00058390
0.00212522 -0.00156605 -0.00269146
-8.37085065 -2.97511915 -4.23958609
0.00055588 0.00049249 0.00051581
-0.01863765 -0.02043469 0.00088178
-7.37164970 -0.36247772 -3.98147138
0.00029443 -0.00030161 -0.00071067
0.00945506 -0.01123843 -0.01237849
1.32043564 28.23738634 5.84743456
-0.00000424 0.00024075 0.00051335
0.01571064 -0.00093833 -0.03787127
-1.37456887 28.07776229 6.84921430
0.00130642 0.00003666 0.00073057
-0.02096455 -0.00191161 -0.01346402
8.40529745 -9.42938013 -1.93345787
-0.00026073 -0.00007882 -0.00002638
-0.01259942 0.00173126 -0.00100567
10.57791901 -9.52760605 0.15326738
0.00102069 0.00093865 -0.00074238
-0.00669671 -0.00013644 -0.02141745
-5.87066295 0.20557376 9.15336772
0.00024554 -0.00131981 0.00054662
-0.00354386 -0.00252571 -0.00039096
-8.52134764 -0.22202892 8.04420213
0.00025009 -0.00033663 0.00051857
-0.01663265 -0.01190245 0.00743619
19.48955829 11.15905157 8.13777836
0.00009179 -0.00103736 -0.00035781
0.01364717 -0.01350815 0.02469964
19.65708495 13.23507510 6.26780914
0.00022337 -0.00065945 0.00005386
0.01018088 0.01647439 -0.01056088
-2.93559121 -2.04748193 -22.78585794
-0.00034035 -0.00016889 -0.00011639
0.02835302 0.03779546 0.02734752
-4.87698698 -2.98372584 -24.35479562
0.00004878 0.00026612 -0.00041897
0.01598382 -0.03018873 0.00696938
-12.49950304 9.05283545 9.86651654
-0.00032768 -0.00037657 0.00077578
-0.00586357 -0.00274833 -0.00421552
-12.83382753 9.07291071 7.02827917
-0.00002698 0.00021247 0.00015027
-0.00698876 -0.00669039 0.00169566
-13.21602222 7.45736250 -4.71295304
-0.00053948 -0.00015920 0.00003279
0.01382263 -0.01372909 0.01671959
-12.06396497 9.00671367 -2.59789142
-0.00038005 0.00038931 -0.00000225
0.01227503 0.02805863 0.01224487
-5.25354967 -17.26489050 19.90147427
-0.00123925 -0.00026744 -0.00009098
0.02363164 0.00653107 0.00500865
-2.35328467 -16.22271267 19.31888295
-0.00093999 0.00078788 0.00013760
-0.00867348 -0.00678066 0.00243207
-3.22125048 5.48289260 -7.30123081
0.00038517 0.00025860 -0.00038722
-0.00946686 0.01301297 -0.00289352
-4.45343045 8.23108250 -6.34162424
-0.00053792 -0.00058649 -0.00033867
0.02224588 -0.01938584 -0.04173521
-21.18890475 28.04301327 1.19140751
-0.00004602 -0.00012918 0.00123737
0.00484893 -0.00542511 -0.00472269
-18.95894096 29.94682756 0.76064483
0.00055324 0.00054271 -0.00102283
0.03676491 -0.00770609 -0.00629953
8.35466939 2.70083065 6.47160684
0.00083878 0.00028860 -0.00011578
-0.01919880 0.00270923 -0.01671538
9.61072395 4.73579134 8.41339449
0.00056265 -0.00071549 -0.00021422
-0.00703761 -0.03209422 -0.03129394
7.44986601 16.12199933 -13.50145922
0.00079946 0.00177351 0.00096116
-0.01490602 -0.01751109 0.00150307
7.60654836 13.25651082 -13.25996461
0.00026100 0.00156207 0.00014237
-0.02507969 0.01792401 0.00973436
12.95478186 4.89491817 -3.00721956
0.00023242 -0.00069651 0.00024043
-0.01653291 0.02549977 -0.01427956
13.27838926 2.81541408 -1.34201809
0.00092679 -0.00066164 0.00118508
-0.01021530 -0.01917007 0.04642133
-4.86015566 9.81808925 -0.89157397
0.00046539 0.00003753 -0.00115389
0.02537196 -0.02705001 -0.00513037
-7.63609296 9.88269943 -0.34398248
0.00078445 -0.00021789 0.00064189
-0.01579248 -0.00926998 0.00644462
4.94944310 13.22529467 1.94318342
0.00021933 -0.00007163 -0.00060191
-0.00332050 -0.00004121 0.00794713
7.66878011 12.30514688 2.76204278
-0.00085527 0.00095401 0.00066080
-0.02056944 0.02291301 0.01209220
21.24099123 -13.16777370 -10.45102546
-0.00024997 -0.00048520 -0.00051334
-0.01578869 -0.01887191 0.02443570
22.80978940 -13.21855789 -12.87510119
-0.00041244 0.00124142 0.00007609
-0.00548877 -0.00522902 -0.00518905
17.37882897 -5.52623619 1.63966892
-0.00101678 0.00077931 0.00015451
-0.00675667 -0.02282894 0.03122862
16.29260318 -7.96623585 3.04824638
-0.00060511 -0.00046465 0.00043519
-0.00095382 -0.00520065 -0.00504945
14.42227901 8.18103747 10.43672045
-0.00028845 0.00025997 -0.00051461
-0.01417523 0.01182846 0.01269798
16.77296924 6.56657815 10.72241340
-0.00002365 0.00013641 -0.00009709
-0.01027053 0.00297610 -0.00214042
1.17605386 -13.32485322 15.86318592
-0.00062555 -0.00019852 0.00160606
0.02000737 -0.01874661 -0.00715852
3.25696959 -12.18350594 17.18717030
-0.00014841 0.00008697 -0.00073711
0.01937721 -0.01634278 -0.00820678
-3.54288114 -2.71207691 -9.71068680
-0.00024000 -0.00008663 0.00009722
0.00148838 0.01356487 -0.01927507
-2.04926292 -1.31778866 -11.80076110
-0.00030541 -0.00026714 -0.00007700
0.03392282 0.00386736 -0.01731742
14.85294494 -8.08761248 -11.47253297
-0.00035105 0.00003234 0.00006926
0.01970960 0.02035426 0.04226327
17.00891969 -7.05204550 -9.18000513
-0.00049288 0.00014797 -0.00005442
-0.00727679 0.00509398 -0.01090894
7.73156642 -3.45454315 5.56445312
-0.00008090 -0.00072483 -0.00075379
-0.01456605 0.00501736 -0.00520473
10.42967068 -4.20374988 5.11108428
-0.00044492 0.00000543 0.00005856
0.02551157 -0.00158977 -0.02755620
-20.84658830 0.84563342 22.93780892
0.00006640 -0.00002691 0.00037996
-0.01293932 0.01174503 0.01271303
-23.35751055 0.77813832 24.65261060
-0.00055661 -0.00002964 -0.00042880
0.02037050 0.00782420 0.00347387
26.03196653 -2.58592661 -7.74137750
0.00022327 -0.00024786 0.00085323
-0.00531601 -0.00318274 -0.00573568
23.61586047 -0.76153886 -7.45549931
0.00018271 -0.00030770 -0.00043177
0.00699780 -0.00420118 -0.00643376
10.84103382 -12.44037644 -8.72286848
-0.00007632 0.00134375 -0.00077425
0.00273895 -0.00489041 -0.00197799
13.11446623 -10.73109718 -9.42409647
0.00025649 -0.00097443 -0.00001822
0.01267018 0.01555640 0.00554043
-5.52685325 -10.41910704 18.23114740
-0.00016397 0.00022965 0.00040228
-0.00660734 0.00782164 -0.01086894
-5.62264800 -9.90087120 15.17391463
0.00153985 0.00001456 0.00051348
-0.01316105 0.00768033 0.00093237
9.07438760 1.07193798 -31.63125160
-0.00048243 -0.00041345 0.00054469
0.00933184 -0.01330527 -0.00685770
6.93826090 2.85104742 -32.37627706
0.00034397 0.00038491 -0.00073416
0.00618799 -0.00113337 0.01715018
11.39193996 17.67608435 12.89651849
-0.00019977 -0.00006458 0.00021177
-0.00334361 -0.00055367 0.02093269
12.08306719 15.31611385 14.36369580
0.00060668 -0.00022240 -0.00005107
-0.01098312 0.02550646 0.00616102
31.10411977 5.48935667 -7.94346406
-0.00002348 -0.00020217 -0.00041682
-0.00853602 0.00725337 0.00329068
28.74428260 7.38537750 -7.71827017
0.00119218 -0.00002972 -0.00028189
0.03901204 -0.00357591 0.00749110
-8.34417825 4.81121982 5.67108340
0.00016088 -0.00003047 0.00003891
0.00622930 0.00093794 -0.00068055
-10.73675583 10.11396145 3.33810888
-0.00003504 -0.00005539 -0.00004531
-0.00484024 0.00027744 0.00699609
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.08347898
0.31234261
416.18086700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3729064786 (a.u.)
total exchange computation time: 2.8430070877 s
-154.1601449218
-931.39540159
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3724906044 (a.u.)
total exchange computation time: 2.8448560238 s
-154.1645607493
Anderson extrapolation: theta=1.3796162792 (1.3796162792)
-931.39562735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3718513280 (a.u.)
total exchange computation time: 2.8450059891 s
-154.1712045556
Anderson extrapolation: theta=0.0651872497 (0.0651872497)
-931.39577044
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3717621557 (a.u.)
total exchange computation time: 2.8431980610 s
-154.1720876281
Anderson extrapolation: theta=2.3385708917 (2.0000000000)
-931.39577882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.257 s
total exchange = -52.3715817091 (a.u.)
total exchange computation time: 2.8449878693 s
-154.1738619033
Anderson extrapolation: theta=0.4356474916 (0.4356474916)
-931.39579063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3715220070 (a.u.)
total exchange computation time: 2.8460581303 s
-154.1744550203
Anderson extrapolation: theta=1.0474201957 (1.0474201957)
-931.39579446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3714928146 (a.u.)
total exchange computation time: 2.8445580006 s
-154.1747686906
Anderson extrapolation: theta=0.5463872613 (0.5463872613)
-931.39579747
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.256 s
total exchange = -52.3715085386 (a.u.)
total exchange computation time: 2.8446879387 s
-154.1746505811
Anderson extrapolation: theta=0.7439474847 (0.7439474847)
-931.39579868
-123.115533 -12.604945 -80.576491
567.089326 1067.220702 -418.078221
443.973793 1054.615757 -498.654712
1248.192151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.254 s
total exchange = -52.3715425706 (a.u.)
total exchange computation time: 2.8447599411 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0598837209
ExchangeOperator: pair fraction: ispin=0: 0.1486857761
ExchangeOperator: bisection time: 1.255 s
total exchange = -52.3715425706 (a.u.)
total exchange computation time: 2.8446018696 s
[qbox] save md145.xml
SampleWriter: write time: 1.018 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1494.32 MB/s
[qbox] End of command stream
5524.02
2013-11-15T14:37:22Z