! 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) = 5.5274485178249995 celldm(2) = 1.0485470085470086 celldm(3) = 1.9203418803418804 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 2 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 548 0.00000000 0.00000000 0.00000000 1.0 0.00925926 0.00000000 0.00000000 1.0 0.01851852 0.00000000 0.00000000 1.0 0.02777778 0.00000000 0.00000000 1.0 0.03703704 0.00000000 0.00000000 1.0 0.04629630 0.00000000 0.00000000 1.0 0.05555556 0.00000000 0.00000000 1.0 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