! Pwscf input file created with pymatgen.py ! Compound: InSb &control calculation = 'bands' prefix = 'InSb' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 7.6716555650594289 celldm(2) = 1.0000000000000002 celldm(3) = 1.5359146874212439 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.0735058509645060 nat = 4 ntyp = 2 ecutwfc = 41.00000000 ecutrho = 242.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-08 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES In 114.8180 In.rel-pbe-dn-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 410 0.00000000 0.00000000 0.00000000 1.0 0.00878799 0.00878799 0.00000000 1.0 0.01757599 0.01757599 0.00000000 1.0 0.02636398 0.02636398 0.00000000 1.0 0.03515197 0.03515197 0.00000000 1.0 0.04393997 0.04393997 0.00000000 1.0 0.05272796 0.05272796 0.00000000 1.0 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