! Pwscf input file created with ciftopw.py ! Compound: V4SiSb2 &control calculation = 'bands' prefix = 'V4SiSb2' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 13.9209014771847617 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000002 celldm(4) = -0.1020684118515390 celldm(5) = -0.1020684118515390 celldm(6) = -0.7958631762969219 nat = 14 ntyp = 3 ecutwfc = 48.00000000 ecutrho = 646.00000000 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 Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF Si 28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF V 50.9415 V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 246 0.00000000 0.00000000 0.00000000 1.0 -0.00000000 0.00000000 0.02173913 1.0 -0.00000000 0.00000000 0.04347826 1.0 -0.00000000 0.00000000 0.06521739 1.0 -0.00000000 0.00000000 0.08695652 1.0 0.00000000 0.00000000 0.10869565 1.0 -0.00000000 0.00000000 0.13043478 1.0 -0.00000000 0.00000000 0.15217391 1.0 -0.00000000 0.00000000 0.17391304 1.0 -0.00000000 0.00000000 0.19565217 1.0 0.00000000 0.00000000 0.21739130 1.0 -0.00000000 0.00000000 0.23913043 1.0 -0.00000000 0.00000000 0.26086957 1.0 -0.00000000 0.00000000 0.28260870 1.0 -0.00000000 0.00000000 0.30434783 1.0 -0.00000000 0.00000000 0.32608696 1.0 -0.00000000 0.00000000 0.34782609 1.0 -0.00000000 0.00000000 0.36956522 1.0 -0.00000000 0.00000000 0.39130435 1.0 -0.00000000 0.00000000 0.41304348 1.0 0.00000000 0.00000000 0.43478261 1.0 0.00000000 0.00000000 0.45652174 1.0 -0.00000000 0.00000000 0.47826087 1.0 -0.00000000 0.00000000 0.50000000 1.0 -0.00000000 0.00000000 0.50000000 1.0 -0.02173913 0.02173913 0.50000000 1.0 -0.04347826 0.04347826 0.50000000 1.0 -0.06521739 0.06521739 0.50000000 1.0 -0.08695652 0.08695652 0.50000000 1.0 -0.10869565 0.10869565 0.50000000 1.0 -0.13043478 0.13043478 0.50000000 1.0 -0.15217391 0.15217391 0.50000000 1.0 -0.17391304 0.17391304 0.50000000 1.0 -0.19565217 0.19565217 0.50000000 1.0 -0.21739130 0.21739130 0.50000000 1.0 -0.23913043 0.23913043 0.50000000 1.0 -0.26086957 0.26086957 0.50000000 1.0 -0.28260870 0.28260870 0.50000000 1.0 -0.30434783 0.30434783 0.50000000 1.0 -0.32608696 0.32608696 0.50000000 1.0 -0.34782609 0.34782609 0.50000000 1.0 -0.36956522 0.36956522 0.50000000 1.0 -0.39130435 0.39130435 0.50000000 1.0 -0.41304348 0.41304348 0.50000000 1.0 -0.43478261 0.43478261 0.50000000 1.0 -0.45652174 0.45652174 0.50000000 1.0 -0.47826087 0.47826087 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.48437500 0.48437500 0.48437500 1.0 -0.46875000 0.46875000 0.46875000 1.0 -0.45312500 0.45312500 0.45312500 1.0 -0.43750000 0.43750000 0.43750000 1.0 -0.42187500 0.42187500 0.42187500 1.0 -0.40625000 0.40625000 0.40625000 1.0 -0.39062500 0.39062500 0.39062500 1.0 -0.37500000 0.37500000 0.37500000 1.0 -0.35937500 0.35937500 0.35937500 1.0 -0.34375000 0.34375000 0.34375000 1.0 -0.32812500 0.32812500 0.32812500 1.0 -0.31250000 0.31250000 0.31250000 1.0 -0.29687500 0.29687500 0.29687500 1.0 -0.28125000 0.28125000 0.28125000 1.0 -0.26562500 0.26562500 0.26562500 1.0 -0.25000000 0.25000000 0.25000000 1.0 -0.23437500 0.23437500 0.23437500 1.0 -0.21875000 0.21875000 0.21875000 1.0 -0.20312500 0.20312500 0.20312500 1.0 -0.18750000 0.18750000 0.18750000 1.0 -0.17187500 0.17187500 0.17187500 1.0 -0.15625000 0.15625000 0.15625000 1.0 -0.14062500 0.14062500 0.14062500 1.0 -0.12500000 0.12500000 0.12500000 1.0 -0.10937500 0.10937500 0.10937500 1.0 -0.09375000 0.09375000 0.09375000 1.0 -0.07812500 0.07812500 0.07812500 1.0 -0.06250000 0.06250000 0.06250000 1.0 -0.04687500 0.04687500 0.04687500 1.0 -0.03125000 0.03125000 0.03125000 1.0 -0.01562500 0.01562500 0.01562500 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00748379 0.00748379 -0.00748379 1.0 0.01496758 0.01496758 -0.01496758 1.0 0.02245136 0.02245136 -0.02245136 1.0 0.02993515 0.02993515 -0.02993515 1.0 0.03741894 0.03741894 -0.03741894 1.0 0.04490273 0.04490273 -0.04490273 1.0 0.05238651 0.05238651 -0.05238651 1.0 0.05987030 0.05987030 -0.05987030 1.0 0.06735409 0.06735409 -0.06735409 1.0 0.07483788 0.07483788 -0.07483788 1.0 0.08232166 0.08232166 -0.08232166 1.0 0.08980545 0.08980545 -0.08980545 1.0 0.09728924 0.09728924 -0.09728924 1.0 0.10477303 0.10477303 -0.10477303 1.0 0.11225681 0.11225681 -0.11225681 1.0 0.11974060 0.11974060 -0.11974060 1.0 0.12722439 0.12722439 -0.12722439 1.0 0.13470818 0.13470818 -0.13470818 1.0 0.14219197 0.14219197 -0.14219197 1.0 0.14967575 0.14967575 -0.14967575 1.0 0.15715954 0.15715954 -0.15715954 1.0 0.16464333 0.16464333 -0.16464333 1.0 0.17212712 0.17212712 -0.17212712 1.0 0.17961090 0.17961090 -0.17961090 1.0 0.18709469 0.18709469 -0.18709469 1.0 0.19457848 0.19457848 -0.19457848 1.0 0.20206227 0.20206227 -0.20206227 1.0 0.20954605 0.20954605 -0.20954605 1.0 0.21702984 0.21702984 -0.21702984 1.0 0.22451363 0.22451363 -0.22451363 1.0 0.23199742 0.23199742 -0.23199742 1.0 0.23948121 0.23948121 -0.23948121 1.0 0.24696499 0.24696499 -0.24696499 1.0 0.25444878 0.25444878 -0.25444878 1.0 0.26193257 0.26193257 -0.26193257 1.0 0.26941636 0.26941636 -0.26941636 1.0 0.27690014 0.27690014 -0.27690014 1.0 0.28438393 0.28438393 -0.28438393 1.0 0.29186772 0.29186772 -0.29186772 1.0 0.29935151 0.29935151 -0.29935151 1.0 0.30683529 0.30683529 -0.30683529 1.0 0.30683529 0.30683529 -0.30683529 1.0 0.30446716 0.30446716 -0.28363382 1.0 0.30209902 0.30209902 -0.26043235 1.0 0.29973088 0.29973088 -0.23723088 1.0 0.29736275 0.29736275 -0.21402941 1.0 0.29499461 0.29499461 -0.19082794 1.0 0.29262647 0.29262647 -0.16762647 1.0 0.29025833 0.29025833 -0.14442500 1.0 0.28789020 0.28789020 -0.12122353 1.0 0.28552206 0.28552206 -0.09802206 1.0 0.28315392 0.28315392 -0.07482059 1.0 0.28078578 0.28078578 -0.05161912 1.0 0.27841765 0.27841765 -0.02841765 1.0 0.27604951 0.27604951 -0.00521618 1.0 0.27368137 0.27368137 0.01798529 1.0 0.27131324 0.27131324 0.04118676 1.0 0.26894510 0.26894510 0.06438824 1.0 0.26657696 0.26657696 0.08758971 1.0 0.26420882 0.26420882 0.11079118 1.0 0.26184069 0.26184069 0.13399265 1.0 0.25947255 0.25947255 0.15719412 1.0 0.25710441 0.25710441 0.18039559 1.0 0.25473627 0.25473627 0.20359706 1.0 0.25236814 0.25236814 0.22679853 1.0 0.25000000 0.25000000 0.25000000 1.0 0.25000000 0.25000000 0.25000000 1.0 0.23437500 0.26562500 0.23437500 1.0 0.21875000 0.28125000 0.21875000 1.0 0.20312500 0.29687500 0.20312500 1.0 0.18750000 0.31250000 0.18750000 1.0 0.17187500 0.32812500 0.17187500 1.0 0.15625000 0.34375000 0.15625000 1.0 0.14062500 0.35937500 0.14062500 1.0 0.12500000 0.37500000 0.12500000 1.0 0.10937500 0.39062500 0.10937500 1.0 0.09375000 0.40625000 0.09375000 1.0 0.07812500 0.42187500 0.07812500 1.0 0.06250000 0.43750000 0.06250000 1.0 0.04687500 0.45312500 0.04687500 1.0 0.03125000 0.46875000 0.03125000 1.0 0.01562500 0.48437500 0.01562500 1.0 0.00000000 0.50000000 -0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 -0.01704641 0.51073137 0.01704641 1.0 -0.03409281 0.52146275 0.03409281 1.0 -0.05113922 0.53219412 0.05113922 1.0 -0.06818562 0.54292549 0.06818562 1.0 -0.08523203 0.55365686 0.08523203 1.0 -0.10227843 0.56438824 0.10227843 1.0 -0.11932484 0.57511961 0.11932484 1.0 -0.13637124 0.58585098 0.13637124 1.0 -0.15341765 0.59658235 0.15341765 1.0 -0.17046405 0.60731373 0.17046405 1.0 -0.18751046 0.61804510 0.18751046 1.0 -0.20455686 0.62877647 0.20455686 1.0 -0.22160327 0.63950784 0.22160327 1.0 -0.23864967 0.65023922 0.23864967 1.0 -0.25569608 0.66097059 0.25569608 1.0 -0.27274248 0.67170196 0.27274248 1.0 -0.28978889 0.68243333 0.28978889 1.0 -0.30683529 0.69316471 0.30683529 1.0 -0.30683529 0.69316471 0.30683529 1.0 -0.31426471 0.68573529 0.31426471 1.0 -0.32169412 0.67830588 0.32169412 1.0 -0.32912353 0.67087647 0.32912353 1.0 -0.33655294 0.66344706 0.33655294 1.0 -0.34398235 0.65601765 0.34398235 1.0 -0.35141176 0.64858824 0.35141176 1.0 -0.35884118 0.64115882 0.35884118 1.0 -0.36627059 0.63372941 0.36627059 1.0 -0.37370000 0.62630000 0.37370000 1.0 -0.38112941 0.61887059 0.38112941 1.0 -0.38855882 0.61144118 0.38855882 1.0 -0.39598824 0.60401176 0.39598824 1.0 -0.40341765 0.59658235 0.40341765 1.0 -0.41084706 0.58915294 0.41084706 1.0 -0.41827647 0.58172353 0.41827647 1.0 -0.42570588 0.57429412 0.42570588 1.0 -0.43313529 0.56686471 0.43313529 1.0 -0.44056471 0.55943529 0.44056471 1.0 -0.44799412 0.55200588 0.44799412 1.0 -0.45542353 0.54457647 0.45542353 1.0 -0.46285294 0.53714706 0.46285294 1.0 -0.47028235 0.52971765 0.47028235 1.0 -0.47771176 0.52228824 0.47771176 1.0 -0.48514118 0.51485882 0.48514118 1.0 -0.49257059 0.50742941 0.49257059 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.00000000 0.00000000 0.50000000 1.0 0.00735294 0.00735294 0.49264706 1.0 0.01470588 0.01470588 0.48529412 1.0 0.02205882 0.02205882 0.47794118 1.0 0.02941176 0.02941176 0.47058824 1.0 0.03676471 0.03676471 0.46323529 1.0 0.04411765 0.04411765 0.45588235 1.0 0.05147059 0.05147059 0.44852941 1.0 0.05882353 0.05882353 0.44117647 1.0 0.06617647 0.06617647 0.43382353 1.0 0.07352941 0.07352941 0.42647059 1.0 0.08088235 0.08088235 0.41911765 1.0 0.08823529 0.08823529 0.41176471 1.0 0.09558824 0.09558824 0.40441176 1.0 0.10294118 0.10294118 0.39705882 1.0 0.11029412 0.11029412 0.38970588 1.0 0.11764706 0.11764706 0.38235294 1.0 0.12500000 0.12500000 0.37500000 1.0 0.13235294 0.13235294 0.36764706 1.0 0.13970588 0.13970588 0.36029412 1.0 0.14705882 0.14705882 0.35294118 1.0 0.15441176 0.15441176 0.34558824 1.0 0.16176471 0.16176471 0.33823529 1.0 0.16911765 0.16911765 0.33088235 1.0 0.17647059 0.17647059 0.32352941 1.0 0.18382353 0.18382353 0.31617647 1.0 0.19117647 0.19117647 0.30882353 1.0 0.19852941 0.19852941 0.30147059 1.0 0.20588235 0.20588235 0.29411765 1.0 0.21323529 0.21323529 0.28676471 1.0 0.22058824 0.22058824 0.27941176 1.0 0.22794118 0.22794118 0.27205882 1.0 0.23529412 0.23529412 0.26470588 1.0 0.24264706 0.24264706 0.25735294 1.0 0.25000000 0.25000000 0.25000000 1.0