! Pwscf input file created with ciftopw.py ! Compound: InSb &control calculation = 'bands' prefix = 'InSb' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 8.0778325732242457 celldm(2) = 1.0000000000000000 celldm(3) = 3.9518269263212562 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.0305330409239474 nat = 12 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-05 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 336 0.00000000 0.00000000 0.00000000 1.0 0.00933050 0.00933050 0.00000000 1.0 0.01866099 0.01866099 0.00000000 1.0 0.02799149 0.02799149 0.00000000 1.0 0.03732198 0.03732198 0.00000000 1.0 0.04665248 0.04665248 0.00000000 1.0 0.05598298 0.05598298 0.00000000 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