! Pwscf input file created with ciftopw.py ! Compound: HfSb &control calculation = 'bands' prefix = 'HfSb' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 10.4001514465271701 celldm(2) = 1.0000000000000002 celldm(3) = 2.5151159840535371 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.7642551940762534 nat = 12 ntyp = 2 ecutwfc = 48.00000000 ecutrho = 266.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-05 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES Hf 178.4900 Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 326 0.00000000 0.00000000 0.00000000 1.0 0.00590429 0.00590429 0.00000000 1.0 0.01180857 0.01180857 0.00000000 1.0 0.01771286 0.01771286 0.00000000 1.0 0.02361714 0.02361714 0.00000000 1.0 0.02952143 0.02952143 0.00000000 1.0 0.03542571 0.03542571 0.00000000 1.0 0.04133000 0.04133000 0.00000000 1.0 0.04723429 0.04723429 0.00000000 1.0 0.05313857 0.05313857 0.00000000 1.0 0.05904286 0.05904286 0.00000000 1.0 0.06494714 0.06494714 0.00000000 1.0 0.07085143 0.07085143 0.00000000 1.0 0.07675571 0.07675571 0.00000000 1.0 0.08266000 0.08266000 0.00000000 1.0 0.08856429 0.08856429 0.00000000 1.0 0.09446857 0.09446857 0.00000000 1.0 0.10037286 0.10037286 0.00000000 1.0 0.10627714 0.10627714 0.00000000 1.0 0.11218143 0.11218143 0.00000000 1.0 0.11808571 0.11808571 0.00000000 1.0 0.12399000 0.12399000 0.00000000 1.0 0.12989428 0.12989428 0.00000000 1.0 0.13579857 0.13579857 0.00000000 1.0 0.14170286 0.14170286 0.00000000 1.0 0.14760714 0.14760714 0.00000000 1.0 0.15351143 0.15351143 0.00000000 1.0 0.15941571 0.15941571 0.00000000 1.0 0.16532000 0.16532000 0.00000000 1.0 0.17122428 0.17122428 0.00000000 1.0 0.17712857 0.17712857 0.00000000 1.0 0.18303286 0.18303286 0.00000000 1.0 0.18893714 0.18893714 0.00000000 1.0 0.19484143 0.19484143 0.00000000 1.0 0.20074571 0.20074571 0.00000000 1.0 0.20665000 0.20665000 0.00000000 1.0 0.21255428 0.21255428 0.00000000 1.0 0.21845857 0.21845857 0.00000000 1.0 0.22436286 0.22436286 0.00000000 1.0 0.23026714 0.23026714 0.00000000 1.0 0.23617143 0.23617143 0.00000000 1.0 0.24207571 0.24207571 0.00000000 1.0 0.24798000 0.24798000 0.00000000 1.0 0.25388428 0.25388428 0.00000000 1.0 0.25978857 0.25978857 0.00000000 1.0 0.26569286 0.26569286 0.00000000 1.0 0.27159714 0.27159714 0.00000000 1.0 0.27750143 0.27750143 0.00000000 1.0 0.28340571 0.28340571 0.00000000 1.0 0.28340571 0.28340571 0.00000000 1.0 0.26673479 0.29614655 0.00000000 1.0 0.25006386 0.30888739 0.00000000 1.0 0.23339294 0.32162823 0.00000000 1.0 0.21672202 0.33436907 0.00000000 1.0 0.20005109 0.34710991 0.00000000 1.0 0.18338017 0.35985076 0.00000000 1.0 0.16670924 0.37259160 0.00000000 1.0 0.15003832 0.38533244 0.00000000 1.0 0.13336739 0.39807328 0.00000000 1.0 0.11669647 0.41081412 0.00000000 1.0 0.10002555 0.42355496 0.00000000 1.0 0.08335462 0.43629580 0.00000000 1.0 0.06668370 0.44903664 0.00000000 1.0 0.05001277 0.46177748 0.00000000 1.0 0.03334185 0.47451832 0.00000000 1.0 0.01667092 0.48725916 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.04166667 1.0 0.00000000 0.50000000 0.08333333 1.0 0.00000000 0.50000000 0.12500000 1.0 0.00000000 0.50000000 0.16666667 1.0 0.00000000 0.50000000 0.20833333 1.0 0.00000000 0.50000000 0.25000000 1.0 0.00000000 0.50000000 0.29166667 1.0 0.00000000 0.50000000 0.33333333 1.0 0.00000000 0.50000000 0.37500000 1.0 0.00000000 0.50000000 0.41666667 1.0 0.00000000 0.50000000 0.45833333 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.01667092 0.48725916 0.50000000 1.0 0.03334185 0.47451832 0.50000000 1.0 0.05001277 0.46177748 0.50000000 1.0 0.06668370 0.44903664 0.50000000 1.0 0.08335462 0.43629580 0.50000000 1.0 0.10002555 0.42355496 0.50000000 1.0 0.11669647 0.41081412 0.50000000 1.0 0.13336739 0.39807328 0.50000000 1.0 0.15003832 0.38533244 0.50000000 1.0 0.16670924 0.37259160 0.50000000 1.0 0.18338017 0.35985076 0.50000000 1.0 0.20005109 0.34710991 0.50000000 1.0 0.21672202 0.33436907 0.50000000 1.0 0.23339294 0.32162823 0.50000000 1.0 0.25006386 0.30888739 0.50000000 1.0 0.26673479 0.29614655 0.50000000 1.0 0.28340571 0.28340571 0.50000000 1.0 0.28340571 0.28340571 0.50000000 1.0 0.27750143 0.27750143 0.50000000 1.0 0.27159714 0.27159714 0.50000000 1.0 0.26569286 0.26569286 0.50000000 1.0 0.25978857 0.25978857 0.50000000 1.0 0.25388428 0.25388428 0.50000000 1.0 0.24798000 0.24798000 0.50000000 1.0 0.24207571 0.24207571 0.50000000 1.0 0.23617143 0.23617143 0.50000000 1.0 0.23026714 0.23026714 0.50000000 1.0 0.22436286 0.22436286 0.50000000 1.0 0.21845857 0.21845857 0.50000000 1.0 0.21255428 0.21255428 0.50000000 1.0 0.20665000 0.20665000 0.50000000 1.0 0.20074571 0.20074571 0.50000000 1.0 0.19484143 0.19484143 0.50000000 1.0 0.18893714 0.18893714 0.50000000 1.0 0.18303286 0.18303286 0.50000000 1.0 0.17712857 0.17712857 0.50000000 1.0 0.17122428 0.17122428 0.50000000 1.0 0.16532000 0.16532000 0.50000000 1.0 0.15941571 0.15941571 0.50000000 1.0 0.15351143 0.15351143 0.50000000 1.0 0.14760714 0.14760714 0.50000000 1.0 0.14170286 0.14170286 0.50000000 1.0 0.13579857 0.13579857 0.50000000 1.0 0.12989428 0.12989428 0.50000000 1.0 0.12399000 0.12399000 0.50000000 1.0 0.11808571 0.11808571 0.50000000 1.0 0.11218143 0.11218143 0.50000000 1.0 0.10627714 0.10627714 0.50000000 1.0 0.10037286 0.10037286 0.50000000 1.0 0.09446857 0.09446857 0.50000000 1.0 0.08856429 0.08856429 0.50000000 1.0 0.08266000 0.08266000 0.50000000 1.0 0.07675571 0.07675571 0.50000000 1.0 0.07085143 0.07085143 0.50000000 1.0 0.06494714 0.06494714 0.50000000 1.0 0.05904286 0.05904286 0.50000000 1.0 0.05313857 0.05313857 0.50000000 1.0 0.04723429 0.04723429 0.50000000 1.0 0.04133000 0.04133000 0.50000000 1.0 0.03542571 0.03542571 0.50000000 1.0 0.02952143 0.02952143 0.50000000 1.0 0.02361714 0.02361714 0.50000000 1.0 0.01771286 0.01771286 0.50000000 1.0 0.01180857 0.01180857 0.50000000 1.0 0.00590429 0.00590429 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 -0.00000000 0.00000000 0.45833333 1.0 0.00000000 0.00000000 0.41666667 1.0 -0.00000000 0.00000000 0.37500000 1.0 -0.00000000 0.00000000 0.33333333 1.0 0.00000000 -0.00000000 0.29166667 1.0 0.00000000 0.00000000 0.25000000 1.0 -0.00000000 0.00000000 0.20833333 1.0 -0.00000000 0.00000000 0.16666667 1.0 0.00000000 0.00000000 0.12500000 1.0 0.00000000 0.00000000 0.08333333 1.0 0.00000000 -0.00000000 0.04166667 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.01612903 0.01612903 0.00000000 1.0 -0.03225806 0.03225806 0.00000000 1.0 -0.04838710 0.04838710 0.00000000 1.0 -0.06451613 0.06451613 0.00000000 1.0 -0.08064516 0.08064516 0.00000000 1.0 -0.09677419 0.09677419 0.00000000 1.0 -0.11290323 0.11290323 0.00000000 1.0 -0.12903226 0.12903226 0.00000000 1.0 -0.14516129 0.14516129 0.00000000 1.0 -0.16129032 0.16129032 0.00000000 1.0 -0.17741935 0.17741935 0.00000000 1.0 -0.19354839 0.19354839 0.00000000 1.0 -0.20967742 0.20967742 0.00000000 1.0 -0.22580645 0.22580645 0.00000000 1.0 -0.24193548 0.24193548 0.00000000 1.0 -0.25806452 0.25806452 0.00000000 1.0 -0.27419355 0.27419355 0.00000000 1.0 -0.29032258 0.29032258 0.00000000 1.0 -0.30645161 0.30645161 0.00000000 1.0 -0.32258065 0.32258065 0.00000000 1.0 -0.33870968 0.33870968 0.00000000 1.0 -0.35483871 0.35483871 0.00000000 1.0 -0.37096774 0.37096774 0.00000000 1.0 -0.38709677 0.38709677 0.00000000 1.0 -0.40322581 0.40322581 0.00000000 1.0 -0.41935484 0.41935484 0.00000000 1.0 -0.43548387 0.43548387 0.00000000 1.0 -0.45161290 0.45161290 0.00000000 1.0 -0.46774194 0.46774194 0.00000000 1.0 -0.48387097 0.48387097 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.49414610 0.50585390 0.00000000 1.0 -0.48829220 0.51170780 0.00000000 1.0 -0.48243830 0.51756170 0.00000000 1.0 -0.47658440 0.52341560 0.00000000 1.0 -0.47073050 0.52926950 0.00000000 1.0 -0.46487660 0.53512340 0.00000000 1.0 -0.45902270 0.54097730 0.00000000 1.0 -0.45316880 0.54683120 0.00000000 1.0 -0.44731490 0.55268510 0.00000000 1.0 -0.44146100 0.55853900 0.00000000 1.0 -0.43560710 0.56439290 0.00000000 1.0 -0.42975320 0.57024680 0.00000000 1.0 -0.42389930 0.57610070 0.00000000 1.0 -0.41804540 0.58195460 0.00000000 1.0 -0.41219150 0.58780850 0.00000000 1.0 -0.40633761 0.59366239 0.00000000 1.0 -0.40048371 0.59951629 0.00000000 1.0 -0.39462981 0.60537019 0.00000000 1.0 -0.38877591 0.61122409 0.00000000 1.0 -0.38292201 0.61707799 0.00000000 1.0 -0.37706811 0.62293189 0.00000000 1.0 -0.37121421 0.62878579 0.00000000 1.0 -0.36536031 0.63463969 0.00000000 1.0 -0.35950641 0.64049359 0.00000000 1.0 -0.35365251 0.64634749 0.00000000 1.0 -0.34779861 0.65220139 0.00000000 1.0 -0.34194471 0.65805529 0.00000000 1.0 -0.33609081 0.66390919 0.00000000 1.0 -0.33023691 0.66976309 0.00000000 1.0 -0.32438301 0.67561699 0.00000000 1.0 -0.31852911 0.68147089 0.00000000 1.0 -0.31267521 0.68732479 0.00000000 1.0 -0.30682131 0.69317869 0.00000000 1.0 -0.30096741 0.69903259 0.00000000 1.0 -0.29511351 0.70488649 0.00000000 1.0 -0.28925961 0.71074039 0.00000000 1.0 -0.28340571 0.71659429 0.00000000 1.0 -0.28340571 0.71659429 0.00000000 1.0 -0.28340571 0.71659429 0.04166667 1.0 -0.28340571 0.71659429 0.08333333 1.0 -0.28340571 0.71659429 0.12500000 1.0 -0.28340571 0.71659429 0.16666667 1.0 -0.28340571 0.71659429 0.20833333 1.0 -0.28340571 0.71659429 0.25000000 1.0 -0.28340571 0.71659429 0.29166667 1.0 -0.28340571 0.71659429 0.33333333 1.0 -0.28340571 0.71659429 0.37500000 1.0 -0.28340571 0.71659429 0.41666667 1.0 -0.28340571 0.71659429 0.45833333 1.0 -0.28340571 0.71659429 0.50000000 1.0 -0.28340571 0.71659429 0.50000000 1.0 -0.28925961 0.71074039 0.50000000 1.0 -0.29511351 0.70488649 0.50000000 1.0 -0.30096741 0.69903259 0.50000000 1.0 -0.30682131 0.69317869 0.50000000 1.0 -0.31267521 0.68732479 0.50000000 1.0 -0.31852911 0.68147089 0.50000000 1.0 -0.32438301 0.67561699 0.50000000 1.0 -0.33023691 0.66976309 0.50000000 1.0 -0.33609081 0.66390919 0.50000000 1.0 -0.34194471 0.65805529 0.50000000 1.0 -0.34779861 0.65220139 0.50000000 1.0 -0.35365251 0.64634749 0.50000000 1.0 -0.35950641 0.64049359 0.50000000 1.0 -0.36536031 0.63463969 0.50000000 1.0 -0.37121421 0.62878579 0.50000000 1.0 -0.37706811 0.62293189 0.50000000 1.0 -0.38292201 0.61707799 0.50000000 1.0 -0.38877591 0.61122409 0.50000000 1.0 -0.39462981 0.60537019 0.50000000 1.0 -0.40048371 0.59951629 0.50000000 1.0 -0.40633761 0.59366239 0.50000000 1.0 -0.41219150 0.58780850 0.50000000 1.0 -0.41804540 0.58195460 0.50000000 1.0 -0.42389930 0.57610070 0.50000000 1.0 -0.42975320 0.57024680 0.50000000 1.0 -0.43560710 0.56439290 0.50000000 1.0 -0.44146100 0.55853900 0.50000000 1.0 -0.44731490 0.55268510 0.50000000 1.0 -0.45316880 0.54683120 0.50000000 1.0 -0.45902270 0.54097730 0.50000000 1.0 -0.46487660 0.53512340 0.50000000 1.0 -0.47073050 0.52926950 0.50000000 1.0 -0.47658440 0.52341560 0.50000000 1.0 -0.48243830 0.51756170 0.50000000 1.0 -0.48829220 0.51170780 0.50000000 1.0 -0.49414610 0.50585390 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.45833333 1.0 -0.50000000 0.50000000 0.41666667 1.0 -0.50000000 0.50000000 0.37500000 1.0 -0.50000000 0.50000000 0.33333333 1.0 -0.50000000 0.50000000 0.29166667 1.0 -0.50000000 0.50000000 0.25000000 1.0 -0.50000000 0.50000000 0.20833333 1.0 -0.50000000 0.50000000 0.16666667 1.0 -0.50000000 0.50000000 0.12500000 1.0 -0.50000000 0.50000000 0.08333333 1.0 -0.50000000 0.50000000 0.04166667 1.0 -0.50000000 0.50000000 0.00000000 1.0 0.00000000 0.00000000 0.50000000 1.0 -0.01612903 0.01612903 0.50000000 1.0 -0.03225806 0.03225806 0.50000000 1.0 -0.04838710 0.04838710 0.50000000 1.0 -0.06451613 0.06451613 0.50000000 1.0 -0.08064516 0.08064516 0.50000000 1.0 -0.09677419 0.09677419 0.50000000 1.0 -0.11290323 0.11290323 0.50000000 1.0 -0.12903226 0.12903226 0.50000000 1.0 -0.14516129 0.14516129 0.50000000 1.0 -0.16129032 0.16129032 0.50000000 1.0 -0.17741935 0.17741935 0.50000000 1.0 -0.19354839 0.19354839 0.50000000 1.0 -0.20967742 0.20967742 0.50000000 1.0 -0.22580645 0.22580645 0.50000000 1.0 -0.24193548 0.24193548 0.50000000 1.0 -0.25806452 0.25806452 0.50000000 1.0 -0.27419355 0.27419355 0.50000000 1.0 -0.29032258 0.29032258 0.50000000 1.0 -0.30645161 0.30645161 0.50000000 1.0 -0.32258065 0.32258065 0.50000000 1.0 -0.33870968 0.33870968 0.50000000 1.0 -0.35483871 0.35483871 0.50000000 1.0 -0.37096774 0.37096774 0.50000000 1.0 -0.38709677 0.38709677 0.50000000 1.0 -0.40322581 0.40322581 0.50000000 1.0 -0.41935484 0.41935484 0.50000000 1.0 -0.43548387 0.43548387 0.50000000 1.0 -0.45161290 0.45161290 0.50000000 1.0 -0.46774194 0.46774194 0.50000000 1.0 -0.48387097 0.48387097 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0