! Pwscf input file created with ciftopw.py ! Compound: KInBr4 &control calculation = 'bands' prefix = 'KInBr4' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 14.9118277791989993 celldm(2) = 1.3166898998859462 celldm(3) = 1.3166898998859462 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 24 ntyp = 3 ecutwfc = 50.00000000 ecutrho = 278.00000000 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 Br 79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF K 39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF In 114.8180 In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 220 0.00000000 0.00000000 0.00000000 1.0 0.02500000 -0.00000000 0.00000000 1.0 0.05000000 -0.00000000 0.00000000 1.0 0.07500000 -0.00000000 0.00000000 1.0 0.10000000 -0.00000000 0.00000000 1.0 0.12500000 -0.00000000 0.00000000 1.0 0.15000000 -0.00000000 0.00000000 1.0 0.17500000 -0.00000000 0.00000000 1.0 0.20000000 -0.00000000 0.00000000 1.0 0.22500000 -0.00000000 0.00000000 1.0 0.25000000 -0.00000000 0.00000000 1.0 0.27500000 -0.00000000 0.00000000 1.0 0.30000000 -0.00000000 0.00000000 1.0 0.32500000 -0.00000000 0.00000000 1.0 0.35000000 -0.00000000 0.00000000 1.0 0.37500000 -0.00000000 0.00000000 1.0 0.40000000 -0.00000000 0.00000000 1.0 0.42500000 -0.00000000 0.00000000 1.0 0.45000000 -0.00000000 0.00000000 1.0 0.47500000 -0.00000000 0.00000000 1.0 0.50000000 -0.00000000 0.00000000 1.0 0.50000000 -0.00000000 0.00000000 1.0 0.50000000 0.03125000 0.00000000 1.0 0.50000000 0.06250000 0.00000000 1.0 0.50000000 0.09375000 0.00000000 1.0 0.50000000 0.12500000 0.00000000 1.0 0.50000000 0.15625000 0.00000000 1.0 0.50000000 0.18750000 0.00000000 1.0 0.50000000 0.21875000 0.00000000 1.0 0.50000000 0.25000000 0.00000000 1.0 0.50000000 0.28125000 0.00000000 1.0 0.50000000 0.31250000 0.00000000 1.0 0.50000000 0.34375000 0.00000000 1.0 0.50000000 0.37500000 0.00000000 1.0 0.50000000 0.40625000 0.00000000 1.0 0.50000000 0.43750000 0.00000000 1.0 0.50000000 0.46875000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.47500000 0.50000000 0.00000000 1.0 0.45000000 0.50000000 0.00000000 1.0 0.42500000 0.50000000 0.00000000 1.0 0.40000000 0.50000000 0.00000000 1.0 0.37500000 0.50000000 0.00000000 1.0 0.35000000 0.50000000 0.00000000 1.0 0.32500000 0.50000000 0.00000000 1.0 0.30000000 0.50000000 0.00000000 1.0 0.27500000 0.50000000 0.00000000 1.0 0.25000000 0.50000000 0.00000000 1.0 0.22500000 0.50000000 0.00000000 1.0 0.20000000 0.50000000 0.00000000 1.0 0.17500000 0.50000000 0.00000000 1.0 0.15000000 0.50000000 0.00000000 1.0 0.12500000 0.50000000 0.00000000 1.0 0.10000000 0.50000000 0.00000000 1.0 0.07500000 0.50000000 0.00000000 1.0 0.05000000 0.50000000 0.00000000 1.0 0.02500000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.46875000 0.00000000 1.0 0.00000000 0.43750000 0.00000000 1.0 0.00000000 0.40625000 0.00000000 1.0 0.00000000 0.37500000 0.00000000 1.0 0.00000000 0.34375000 0.00000000 1.0 0.00000000 0.31250000 0.00000000 1.0 0.00000000 0.28125000 0.00000000 1.0 0.00000000 0.25000000 0.00000000 1.0 0.00000000 0.21875000 0.00000000 1.0 0.00000000 0.18750000 0.00000000 1.0 0.00000000 0.15625000 0.00000000 1.0 0.00000000 0.12500000 0.00000000 1.0 0.00000000 0.09375000 0.00000000 1.0 0.00000000 0.06250000 0.00000000 1.0 0.00000000 0.03125000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.03125000 1.0 0.00000000 0.00000000 0.06250000 1.0 -0.00000000 0.00000000 0.09375000 1.0 0.00000000 0.00000000 0.12500000 1.0 0.00000000 0.00000000 0.15625000 1.0 -0.00000000 0.00000000 0.18750000 1.0 0.00000000 0.00000000 0.21875000 1.0 0.00000000 0.00000000 0.25000000 1.0 0.00000000 0.00000000 0.28125000 1.0 0.00000000 0.00000000 0.31250000 1.0 0.00000000 0.00000000 0.34375000 1.0 -0.00000000 0.00000000 0.37500000 1.0 -0.00000000 0.00000000 0.40625000 1.0 0.00000000 0.00000000 0.43750000 1.0 0.00000000 0.00000000 0.46875000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.02500000 0.00000000 0.50000000 1.0 0.05000000 -0.00000000 0.50000000 1.0 0.07500000 -0.00000000 0.50000000 1.0 0.10000000 0.00000000 0.50000000 1.0 0.12500000 -0.00000000 0.50000000 1.0 0.15000000 0.00000000 0.50000000 1.0 0.17500000 -0.00000000 0.50000000 1.0 0.20000000 -0.00000000 0.50000000 1.0 0.22500000 -0.00000000 0.50000000 1.0 0.25000000 -0.00000000 0.50000000 1.0 0.27500000 -0.00000000 0.50000000 1.0 0.30000000 -0.00000000 0.50000000 1.0 0.32500000 -0.00000000 0.50000000 1.0 0.35000000 -0.00000000 0.50000000 1.0 0.37500000 -0.00000000 0.50000000 1.0 0.40000000 -0.00000000 0.50000000 1.0 0.42500000 -0.00000000 0.50000000 1.0 0.45000000 -0.00000000 0.50000000 1.0 0.47500000 -0.00000000 0.50000000 1.0 0.50000000 -0.00000000 0.50000000 1.0 0.50000000 -0.00000000 0.50000000 1.0 0.50000000 0.03125000 0.50000000 1.0 0.50000000 0.06250000 0.50000000 1.0 0.50000000 0.09375000 0.50000000 1.0 0.50000000 0.12500000 0.50000000 1.0 0.50000000 0.15625000 0.50000000 1.0 0.50000000 0.18750000 0.50000000 1.0 0.50000000 0.21875000 0.50000000 1.0 0.50000000 0.25000000 0.50000000 1.0 0.50000000 0.28125000 0.50000000 1.0 0.50000000 0.31250000 0.50000000 1.0 0.50000000 0.34375000 0.50000000 1.0 0.50000000 0.37500000 0.50000000 1.0 0.50000000 0.40625000 0.50000000 1.0 0.50000000 0.43750000 0.50000000 1.0 0.50000000 0.46875000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.47500000 0.50000000 0.50000000 1.0 0.45000000 0.50000000 0.50000000 1.0 0.42500000 0.50000000 0.50000000 1.0 0.40000000 0.50000000 0.50000000 1.0 0.37500000 0.50000000 0.50000000 1.0 0.35000000 0.50000000 0.50000000 1.0 0.32500000 0.50000000 0.50000000 1.0 0.30000000 0.50000000 0.50000000 1.0 0.27500000 0.50000000 0.50000000 1.0 0.25000000 0.50000000 0.50000000 1.0 0.22500000 0.50000000 0.50000000 1.0 0.20000000 0.50000000 0.50000000 1.0 0.17500000 0.50000000 0.50000000 1.0 0.15000000 0.50000000 0.50000000 1.0 0.12500000 0.50000000 0.50000000 1.0 0.10000000 0.50000000 0.50000000 1.0 0.07500000 0.50000000 0.50000000 1.0 0.05000000 0.50000000 0.50000000 1.0 0.02500000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.46875000 0.50000000 1.0 0.00000000 0.43750000 0.50000000 1.0 0.00000000 0.40625000 0.50000000 1.0 0.00000000 0.37500000 0.50000000 1.0 0.00000000 0.34375000 0.50000000 1.0 0.00000000 0.31250000 0.50000000 1.0 0.00000000 0.28125000 0.50000000 1.0 0.00000000 0.25000000 0.50000000 1.0 0.00000000 0.21875000 0.50000000 1.0 0.00000000 0.18750000 0.50000000 1.0 0.00000000 0.15625000 0.50000000 1.0 0.00000000 0.12500000 0.50000000 1.0 0.00000000 0.09375000 0.50000000 1.0 0.00000000 0.06250000 0.50000000 1.0 0.00000000 0.03125000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.03125000 1.0 0.00000000 0.50000000 0.06250000 1.0 -0.00000000 0.50000000 0.09375000 1.0 0.00000000 0.50000000 0.12500000 1.0 0.00000000 0.50000000 0.15625000 1.0 -0.00000000 0.50000000 0.18750000 1.0 0.00000000 0.50000000 0.21875000 1.0 0.00000000 0.50000000 0.25000000 1.0 0.00000000 0.50000000 0.28125000 1.0 0.00000000 0.50000000 0.31250000 1.0 0.00000000 0.50000000 0.34375000 1.0 -0.00000000 0.50000000 0.37500000 1.0 -0.00000000 0.50000000 0.40625000 1.0 0.00000000 0.50000000 0.43750000 1.0 0.00000000 0.50000000 0.46875000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.50000000 -0.00000000 0.50000000 1.0 0.50000000 -0.00000000 0.46875000 1.0 0.50000000 -0.00000000 0.43750000 1.0 0.50000000 -0.00000000 0.40625000 1.0 0.50000000 -0.00000000 0.37500000 1.0 0.50000000 -0.00000000 0.34375000 1.0 0.50000000 -0.00000000 0.31250000 1.0 0.50000000 -0.00000000 0.28125000 1.0 0.50000000 -0.00000000 0.25000000 1.0 0.50000000 -0.00000000 0.21875000 1.0 0.50000000 -0.00000000 0.18750000 1.0 0.50000000 0.00000000 0.15625000 1.0 0.50000000 -0.00000000 0.12500000 1.0 0.50000000 -0.00000000 0.09375000 1.0 0.50000000 -0.00000000 0.06250000 1.0 0.50000000 -0.00000000 0.03125000 1.0 0.50000000 -0.00000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.03125000 1.0 0.50000000 0.50000000 0.06250000 1.0 0.50000000 0.50000000 0.09375000 1.0 0.50000000 0.50000000 0.12500000 1.0 0.50000000 0.50000000 0.15625000 1.0 0.50000000 0.50000000 0.18750000 1.0 0.50000000 0.50000000 0.21875000 1.0 0.50000000 0.50000000 0.25000000 1.0 0.50000000 0.50000000 0.28125000 1.0 0.50000000 0.50000000 0.31250000 1.0 0.50000000 0.50000000 0.34375000 1.0 0.50000000 0.50000000 0.37500000 1.0 0.50000000 0.50000000 0.40625000 1.0 0.50000000 0.50000000 0.43750000 1.0 0.50000000 0.50000000 0.46875000 1.0 0.50000000 0.50000000 0.50000000 1.0