============================ I qbox 1.49.1 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 ============================ 1.49.1 pencil Linux compute-1-36.local 2009-08-30T20:01:41Z compute-1-36.local compute-1-36.local compute-1-36.local compute-1-36.local compute-0-13.local compute-0-13.local compute-0-13.local compute-0-13.local compute-0-8.local compute-0-8.local compute-0-8.local compute-0-8.local compute-0-16.local compute-0-16.local compute-0-16.local compute-0-16.local [qbox] # stress calculations with increasing ecut [qbox] [qbox] set cell 3.37316 3.37316 0 0 3.37316 3.37316 3.37316 0 3.37316 [qbox] set ref_cell 4 4 0 0 4 4 4 0 4 [qbox] species carbon http://fpmd.ucdavis.edu/potentials/C/C_HSCV_PBE-1.0.xml SpeciesCmd: defining species carbon as http://fpmd.ucdavis.edu/potentials/C/C_HSCV_PBE-1.0.xml species carbon: name_ = carbon description_ = PSGen-1.6.0 pseudopotential: HSCV C xc=PBE Generated by PSGen-1.6.0 on 2009-02-15T02:25:04Z psgen arguments: -element C -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=0.8 uri_ = http://fpmd.ucdavis.edu/potentials/C/C_HSCV_PBE-1.0.xml symbol_ = C atomic_number_ = 6 Kleinman-Bylander potential valence charge = 4 / ionic mass_ = 12.01070000 (amu) lmax_ = 1 llocal_ = 1 rcps_ = 1.50000000 [qbox] atom C1 carbon 0.84329 0.84329 0.84329 [qbox] atom C2 carbon -0.84329 -0.84329 -0.84329 [qbox] [qbox] set ecut 125 [qbox] set stress ON [qbox] set ecuts 120 [qbox] [qbox] kp8881fcc.i [qbox][kp8881fcc.i] # kpgen 8 8 8 1 [qbox][kp8881fcc.i] # 341 k-points [qbox][kp8881fcc.i] kpoint delete 0 0 0 [qbox][kp8881fcc.i] kpoint add -0.3750000000 -0.3750000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.3750000000 -0.2500000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.3750000000 -0.1250000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.3750000000 0.0000000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.6250000000 0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.6250000000 0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.6250000000 0.3750000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.3750000000 -0.5000000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.3750000000 -0.5000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.3750000000 -0.5000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.3750000000 -0.5000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.6250000000 0.5000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.6250000000 0.5000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.6250000000 0.5000000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.3750000000 -0.5000000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.3750000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.2500000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.1250000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 0.0000000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 0.1250000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.6250000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.5000000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.5000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.5000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.5000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.5000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 0.5000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.5000000000 -0.6250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.2500000000 -0.5000000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 -0.3750000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 -0.2500000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 -0.1250000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 0.0000000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 0.3750000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 -0.5000000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 -0.5000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 -0.5000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 -0.5000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 0.5000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 0.5000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 0.5000000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.1250000000 -0.5000000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 -0.3750000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 -0.2500000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 -0.1250000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.0000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.0000000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.0000000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.0000000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.0000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.1250000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.1250000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.1250000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.1250000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.1250000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.1250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.1250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.2500000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.2500000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.2500000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.2500000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.2500000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.2500000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.2500000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.3750000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.3750000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.3750000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.3750000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.3750000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.3750000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.3750000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.3750000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 -0.5000000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 -0.5000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 -0.5000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.5000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.5000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.5000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.5000000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.0000000000 0.5000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.3750000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.3750000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.3750000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.3750000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.3750000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.3750000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.6250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.6250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.2500000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.2500000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.2500000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.2500000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.2500000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.2500000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.2500000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.2500000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.1250000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.1250000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.1250000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.1250000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.1250000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.1250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.1250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.0000000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.0000000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.0000000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.0000000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.0000000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.0000000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.0000000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.0000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.1250000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.1250000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.1250000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.1250000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.1250000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.1250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.1250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.2500000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.2500000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.2500000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.2500000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.2500000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.2500000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.2500000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.3750000000 0.6250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.3750000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.3750000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.3750000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.3750000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.3750000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.3750000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.3750000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.5000000000 0.6250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 -0.5000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.5000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.5000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.5000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.5000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.5000000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.1250000000 0.5000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.3750000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.3750000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.3750000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.3750000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.3750000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.6250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.6250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.6250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.2500000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.2500000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.2500000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.2500000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.2500000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.2500000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.2500000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.1250000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.1250000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.1250000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.1250000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.1250000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.1250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.1250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 -0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.0000000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.0000000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.0000000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.0000000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.0000000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.0000000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.0000000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.0000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.1250000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.1250000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.1250000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.1250000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.1250000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.1250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.1250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.2500000000 0.6250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.2500000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.2500000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.2500000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.2500000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.2500000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.2500000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.3750000000 0.6250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.3750000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.3750000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.3750000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.3750000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.3750000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.3750000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.3750000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.5000000000 0.6250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.5000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.5000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.5000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.5000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.5000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.5000000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.2500000000 0.5000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.6250000000 -0.3750000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add -0.6250000000 -0.3750000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add -0.6250000000 -0.3750000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.3750000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.6250000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.6250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.6250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.6250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.6250000000 -0.2500000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add -0.6250000000 -0.2500000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.2500000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.2500000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.2500000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.2500000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.2500000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add -0.6250000000 -0.2500000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.6250000000 -0.1250000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.1250000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.1250000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.1250000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.1250000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.1250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.1250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 -0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.0000000000 -0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.0000000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.0000000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.0000000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.0000000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.0000000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.0000000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.0000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.1250000000 0.6250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.1250000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.1250000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.1250000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.1250000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.1250000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.1250000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.2500000000 0.6250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.2500000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.2500000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.2500000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.2500000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.2500000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.2500000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.3750000000 0.6250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.3750000000 -0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.3750000000 -0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.3750000000 0.0000000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.3750000000 0.1250000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.3750000000 0.2500000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.3750000000 0.3750000000 0.0039062500 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.3750000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.5000000000 0.6250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.6250000000 -0.5000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.5000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.5000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.5000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.5000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.5000000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.3750000000 0.5000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.3750000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.3750000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.3750000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.3750000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.6250000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.6250000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.6250000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.3750000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.2500000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.2500000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.2500000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.2500000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.2500000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 -0.2500000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.2500000000 -0.6250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.2500000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.1250000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.1250000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.1250000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.1250000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 -0.1250000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 -0.1250000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 -0.1250000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.1250000000 -0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 0.0000000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 0.0000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 0.0000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.0000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.0000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.0000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.0000000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.0000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.1250000000 0.6250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 0.1250000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.1250000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.1250000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.1250000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.1250000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.1250000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.1250000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.2500000000 0.6250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.2500000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.2500000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.2500000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.2500000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.2500000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.2500000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.2500000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.3750000000 0.6250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.6250000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.3750000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.3750000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.3750000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.3750000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.3750000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.3750000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.5000000000 -0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.5000000000 -0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add -0.5000000000 -0.5000000000 -0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.5000000000 0.0000000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.5000000000 0.1250000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.5000000000 0.2500000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.5000000000 0.3750000000 0.0019531250 [qbox][kp8881fcc.i] kpoint add 0.5000000000 0.5000000000 0.5000000000 0.0019531250 [qbox][kp8881fcc.i] End of command stream [qbox] [qbox] set xc PBE [qbox] set wf_dyn PSD [qbox] set ecutprec 4 [qbox] randomize_wf 0.01 [qbox] run 0 200 EnergyFunctional: np0v,np1v,np2v: 44 44 44 EnergyFunctional: vft->np012(): 85184 reciprocal lattice vectors 0.931350 0.931350 -0.931350 -0.931350 0.931350 0.931350 0.931350 -0.931350 0.931350 kpoint: -0.375000 -0.375000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3029 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.375000 -0.250000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3027 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.375000 -0.125000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3032 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.375000 0.000000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3023 c dimensions: 3184x4 (199x4 blocks) kpoint: 0.625000 0.125000 0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3024 c dimensions: 3152x4 (197x4 blocks) kpoint: 0.625000 0.250000 0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3168x4 (198x4 blocks) kpoint: 0.625000 0.375000 0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3026 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.375000 -0.500000 -0.375000 weight: 0.001953 sdcontext: 16x1 basis size: 3029 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.375000 -0.500000 -0.250000 weight: 0.001953 sdcontext: 16x1 basis size: 3027 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.375000 -0.500000 -0.125000 weight: 0.001953 sdcontext: 16x1 basis size: 3032 c dimensions: 3184x4 (199x4 blocks) kpoint: -0.375000 -0.500000 0.000000 weight: 0.001953 sdcontext: 16x1 basis size: 3023 c dimensions: 3168x4 (198x4 blocks) kpoint: 0.625000 0.500000 0.125000 weight: 0.001953 sdcontext: 16x1 basis size: 3024 c dimensions: 3152x4 (197x4 blocks) kpoint: 0.625000 0.500000 0.250000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3168x4 (198x4 blocks) kpoint: 0.625000 0.500000 0.375000 weight: 0.001953 sdcontext: 16x1 basis size: 3026 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.375000 -0.500000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3019 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.250000 -0.375000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3027 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.250000 -0.250000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3042 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.250000 -0.125000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3027 c dimensions: 3136x4 (196x4 blocks) kpoint: -0.250000 0.000000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3018 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.250000 0.125000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.250000 0.250000 0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3184x4 (199x4 blocks) kpoint: -0.250000 -0.625000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.250000 -0.500000 -0.375000 weight: 0.001953 sdcontext: 16x1 basis size: 3027 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.250000 -0.500000 -0.250000 weight: 0.001953 sdcontext: 16x1 basis size: 3042 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.250000 -0.500000 -0.125000 weight: 0.001953 sdcontext: 16x1 basis size: 3027 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.250000 -0.500000 0.000000 weight: 0.001953 sdcontext: 16x1 basis size: 3018 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.250000 -0.500000 0.125000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.250000 0.500000 0.250000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3184x4 (199x4 blocks) kpoint: -0.250000 -0.500000 -0.625000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.250000 -0.500000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3018 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.125000 -0.375000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3032 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.125000 -0.250000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3027 c dimensions: 3136x4 (196x4 blocks) kpoint: -0.125000 -0.125000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3029 c dimensions: 3184x4 (199x4 blocks) kpoint: -0.125000 0.000000 -0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3019 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.125000 0.125000 0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3026 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.125000 0.250000 0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.125000 0.375000 0.500000 weight: 0.001953 sdcontext: 16x1 basis size: 3024 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.125000 -0.500000 -0.375000 weight: 0.001953 sdcontext: 16x1 basis size: 3032 c dimensions: 3184x4 (199x4 blocks) kpoint: -0.125000 -0.500000 -0.250000 weight: 0.001953 sdcontext: 16x1 basis size: 3027 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.125000 -0.500000 -0.125000 weight: 0.001953 sdcontext: 16x1 basis size: 3029 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.125000 -0.500000 0.000000 weight: 0.001953 sdcontext: 16x1 basis size: 3019 c dimensions: 3152x4 (197x4 blocks) kpoint: -0.125000 0.500000 0.125000 weight: 0.001953 sdcontext: 16x1 basis size: 3026 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.125000 0.500000 0.250000 weight: 0.001953 sdcontext: 16x1 basis size: 3028 c dimensions: 3168x4 (198x4 blocks) kpoint: -0.125000 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