! Pwscf input file created with ciftopw.py ! Compound: Y3In5 &control calculation = 'bands' prefix = 'Y3In5' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 12.0356409390150958 celldm(2) = 1.0000000000000002 celldm(3) = 1.6156414540230750 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.2032146731091610 nat = 16 ntyp = 2 ecutwfc = 41.00000000 ecutrho = 258.00000000 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 Y 88.9059 Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 262 0.00000000 0.00000000 0.00000000 1.0 0.01259253 0.01259253 0.00000000 1.0 0.02518506 0.02518506 0.00000000 1.0 0.03777759 0.03777759 0.00000000 1.0 0.05037011 0.05037011 0.00000000 1.0 0.06296264 0.06296264 0.00000000 1.0 0.07555517 0.07555517 0.00000000 1.0 0.08814770 0.08814770 0.00000000 1.0 0.10074023 0.10074023 0.00000000 1.0 0.11333276 0.11333276 0.00000000 1.0 0.12592529 0.12592529 0.00000000 1.0 0.13851781 0.13851781 0.00000000 1.0 0.15111034 0.15111034 0.00000000 1.0 0.16370287 0.16370287 0.00000000 1.0 0.17629540 0.17629540 0.00000000 1.0 0.18888793 0.18888793 0.00000000 1.0 0.20148046 0.20148046 0.00000000 1.0 0.21407299 0.21407299 0.00000000 1.0 0.22666551 0.22666551 0.00000000 1.0 0.23925804 0.23925804 0.00000000 1.0 0.25185057 0.25185057 0.00000000 1.0 0.26444310 0.26444310 0.00000000 1.0 0.27703563 0.27703563 0.00000000 1.0 0.28962816 0.28962816 0.00000000 1.0 0.30222069 0.30222069 0.00000000 1.0 0.31481321 0.31481321 0.00000000 1.0 0.32740574 0.32740574 0.00000000 1.0 0.33999827 0.33999827 0.00000000 1.0 0.35259080 0.35259080 0.00000000 1.0 0.36518333 0.36518333 0.00000000 1.0 0.37777586 0.37777586 0.00000000 1.0 0.39036839 0.39036839 0.00000000 1.0 0.40296091 0.40296091 0.00000000 1.0 0.41555344 0.41555344 0.00000000 1.0 0.41555344 0.41555344 0.00000000 1.0 0.39576518 0.41957471 0.00000000 1.0 0.37597692 0.42359597 0.00000000 1.0 0.35618867 0.42761724 0.00000000 1.0 0.33640041 0.43163850 0.00000000 1.0 0.31661215 0.43565977 0.00000000 1.0 0.29682389 0.43968103 0.00000000 1.0 0.27703563 0.44370230 0.00000000 1.0 0.25724737 0.44772356 0.00000000 1.0 0.23745911 0.45174482 0.00000000 1.0 0.21767085 0.45576609 0.00000000 1.0 0.19788259 0.45978735 0.00000000 1.0 0.17809433 0.46380862 0.00000000 1.0 0.15830607 0.46782988 0.00000000 1.0 0.13851781 0.47185115 0.00000000 1.0 0.11872956 0.47587241 0.00000000 1.0 0.09894130 0.47989368 0.00000000 1.0 0.07915304 0.48391494 0.00000000 1.0 0.05936478 0.48793621 0.00000000 1.0 0.03957652 0.49195747 0.00000000 1.0 0.01978826 0.49597874 0.00000000 1.0 0.00000000 0.50000000 0.00000000 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 0.00000000 0.50000000 0.50000000 1.0 0.01978826 0.49597874 0.50000000 1.0 0.03957652 0.49195747 0.50000000 1.0 0.05936478 0.48793621 0.50000000 1.0 0.07915304 0.48391494 0.50000000 1.0 0.09894130 0.47989368 0.50000000 1.0 0.11872956 0.47587241 0.50000000 1.0 0.13851781 0.47185115 0.50000000 1.0 0.15830607 0.46782988 0.50000000 1.0 0.17809433 0.46380862 0.50000000 1.0 0.19788259 0.45978735 0.50000000 1.0 0.21767085 0.45576609 0.50000000 1.0 0.23745911 0.45174482 0.50000000 1.0 0.25724737 0.44772356 0.50000000 1.0 0.27703563 0.44370230 0.50000000 1.0 0.29682389 0.43968103 0.50000000 1.0 0.31661215 0.43565977 0.50000000 1.0 0.33640041 0.43163850 0.50000000 1.0 0.35618867 0.42761724 0.50000000 1.0 0.37597692 0.42359597 0.50000000 1.0 0.39576518 0.41957471 0.50000000 1.0 0.41555344 0.41555344 0.50000000 1.0 0.41555344 0.41555344 0.50000000 1.0 0.40296091 0.40296091 0.50000000 1.0 0.39036839 0.39036839 0.50000000 1.0 0.37777586 0.37777586 0.50000000 1.0 0.36518333 0.36518333 0.50000000 1.0 0.35259080 0.35259080 0.50000000 1.0 0.33999827 0.33999827 0.50000000 1.0 0.32740574 0.32740574 0.50000000 1.0 0.31481321 0.31481321 0.50000000 1.0 0.30222069 0.30222069 0.50000000 1.0 0.28962816 0.28962816 0.50000000 1.0 0.27703563 0.27703563 0.50000000 1.0 0.26444310 0.26444310 0.50000000 1.0 0.25185057 0.25185057 0.50000000 1.0 0.23925804 0.23925804 0.50000000 1.0 0.22666551 0.22666551 0.50000000 1.0 0.21407299 0.21407299 0.50000000 1.0 0.20148046 0.20148046 0.50000000 1.0 0.18888793 0.18888793 0.50000000 1.0 0.17629540 0.17629540 0.50000000 1.0 0.16370287 0.16370287 0.50000000 1.0 0.15111034 0.15111034 0.50000000 1.0 0.13851781 0.13851781 0.50000000 1.0 0.12592529 0.12592529 0.50000000 1.0 0.11333276 0.11333276 0.50000000 1.0 0.10074023 0.10074023 0.50000000 1.0 0.08814770 0.08814770 0.50000000 1.0 0.07555517 0.07555517 0.50000000 1.0 0.06296264 0.06296264 0.50000000 1.0 0.05037011 0.05037011 0.50000000 1.0 0.03777759 0.03777759 0.50000000 1.0 0.02518506 0.02518506 0.50000000 1.0 0.01259253 0.01259253 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 -0.00000000 0.46875000 1.0 0.00000000 0.00000000 0.43750000 1.0 0.00000000 0.00000000 0.40625000 1.0 -0.00000000 0.00000000 0.37500000 1.0 0.00000000 -0.00000000 0.34375000 1.0 0.00000000 0.00000000 0.31250000 1.0 0.00000000 0.00000000 0.28125000 1.0 0.00000000 0.00000000 0.25000000 1.0 0.00000000 0.00000000 0.21875000 1.0 -0.00000000 0.00000000 0.18750000 1.0 0.00000000 0.00000000 0.15625000 1.0 0.00000000 0.00000000 0.12500000 1.0 -0.00000000 -0.00000000 0.09375000 1.0 0.00000000 0.00000000 0.06250000 1.0 -0.00000000 0.00000000 0.03125000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.01562500 0.01562500 0.00000000 1.0 -0.03125000 0.03125000 0.00000000 1.0 -0.04687500 0.04687500 0.00000000 1.0 -0.06250000 0.06250000 0.00000000 1.0 -0.07812500 0.07812500 0.00000000 1.0 -0.09375000 0.09375000 0.00000000 1.0 -0.10937500 0.10937500 0.00000000 1.0 -0.12500000 0.12500000 0.00000000 1.0 -0.14062500 0.14062500 0.00000000 1.0 -0.15625000 0.15625000 0.00000000 1.0 -0.17187500 0.17187500 0.00000000 1.0 -0.18750000 0.18750000 0.00000000 1.0 -0.20312500 0.20312500 0.00000000 1.0 -0.21875000 0.21875000 0.00000000 1.0 -0.23437500 0.23437500 0.00000000 1.0 -0.25000000 0.25000000 0.00000000 1.0 -0.26562500 0.26562500 0.00000000 1.0 -0.28125000 0.28125000 0.00000000 1.0 -0.29687500 0.29687500 0.00000000 1.0 -0.31250000 0.31250000 0.00000000 1.0 -0.32812500 0.32812500 0.00000000 1.0 -0.34375000 0.34375000 0.00000000 1.0 -0.35937500 0.35937500 0.00000000 1.0 -0.37500000 0.37500000 0.00000000 1.0 -0.39062500 0.39062500 0.00000000 1.0 -0.40625000 0.40625000 0.00000000 1.0 -0.42187500 0.42187500 0.00000000 1.0 -0.43750000 0.43750000 0.00000000 1.0 -0.45312500 0.45312500 0.00000000 1.0 -0.46875000 0.46875000 0.00000000 1.0 -0.48437500 0.48437500 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.48793621 0.51206379 0.00000000 1.0 -0.47587241 0.52412759 0.00000000 1.0 -0.46380862 0.53619138 0.00000000 1.0 -0.45174482 0.54825518 0.00000000 1.0 -0.43968103 0.56031897 0.00000000 1.0 -0.42761724 0.57238276 0.00000000 1.0 -0.41555344 0.58444656 0.00000000 1.0 -0.41555344 0.58444656 0.00000000 1.0 -0.41555344 0.58444656 0.03125000 1.0 -0.41555344 0.58444656 0.06250000 1.0 -0.41555344 0.58444656 0.09375000 1.0 -0.41555344 0.58444656 0.12500000 1.0 -0.41555344 0.58444656 0.15625000 1.0 -0.41555344 0.58444656 0.18750000 1.0 -0.41555344 0.58444656 0.21875000 1.0 -0.41555344 0.58444656 0.25000000 1.0 -0.41555344 0.58444656 0.28125000 1.0 -0.41555344 0.58444656 0.31250000 1.0 -0.41555344 0.58444656 0.34375000 1.0 -0.41555344 0.58444656 0.37500000 1.0 -0.41555344 0.58444656 0.40625000 1.0 -0.41555344 0.58444656 0.43750000 1.0 -0.41555344 0.58444656 0.46875000 1.0 -0.41555344 0.58444656 0.50000000 1.0 -0.41555344 0.58444656 0.50000000 1.0 -0.42761724 0.57238276 0.50000000 1.0 -0.43968103 0.56031897 0.50000000 1.0 -0.45174482 0.54825518 0.50000000 1.0 -0.46380862 0.53619138 0.50000000 1.0 -0.47587241 0.52412759 0.50000000 1.0 -0.48793621 0.51206379 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.46875000 1.0 -0.50000000 0.50000000 0.43750000 1.0 -0.50000000 0.50000000 0.40625000 1.0 -0.50000000 0.50000000 0.37500000 1.0 -0.50000000 0.50000000 0.34375000 1.0 -0.50000000 0.50000000 0.31250000 1.0 -0.50000000 0.50000000 0.28125000 1.0 -0.50000000 0.50000000 0.25000000 1.0 -0.50000000 0.50000000 0.21875000 1.0 -0.50000000 0.50000000 0.18750000 1.0 -0.50000000 0.50000000 0.15625000 1.0 -0.50000000 0.50000000 0.12500000 1.0 -0.50000000 0.50000000 0.09375000 1.0 -0.50000000 0.50000000 0.06250000 1.0 -0.50000000 0.50000000 0.03125000 1.0 -0.50000000 0.50000000 0.00000000 1.0 0.00000000 0.00000000 0.50000000 1.0 -0.01562500 0.01562500 0.50000000 1.0 -0.03125000 0.03125000 0.50000000 1.0 -0.04687500 0.04687500 0.50000000 1.0 -0.06250000 0.06250000 0.50000000 1.0 -0.07812500 0.07812500 0.50000000 1.0 -0.09375000 0.09375000 0.50000000 1.0 -0.10937500 0.10937500 0.50000000 1.0 -0.12500000 0.12500000 0.50000000 1.0 -0.14062500 0.14062500 0.50000000 1.0 -0.15625000 0.15625000 0.50000000 1.0 -0.17187500 0.17187500 0.50000000 1.0 -0.18750000 0.18750000 0.50000000 1.0 -0.20312500 0.20312500 0.50000000 1.0 -0.21875000 0.21875000 0.50000000 1.0 -0.23437500 0.23437500 0.50000000 1.0 -0.25000000 0.25000000 0.50000000 1.0 -0.26562500 0.26562500 0.50000000 1.0 -0.28125000 0.28125000 0.50000000 1.0 -0.29687500 0.29687500 0.50000000 1.0 -0.31250000 0.31250000 0.50000000 1.0 -0.32812500 0.32812500 0.50000000 1.0 -0.34375000 0.34375000 0.50000000 1.0 -0.35937500 0.35937500 0.50000000 1.0 -0.37500000 0.37500000 0.50000000 1.0 -0.39062500 0.39062500 0.50000000 1.0 -0.40625000 0.40625000 0.50000000 1.0 -0.42187500 0.42187500 0.50000000 1.0 -0.43750000 0.43750000 0.50000000 1.0 -0.45312500 0.45312500 0.50000000 1.0 -0.46875000 0.46875000 0.50000000 1.0 -0.48437500 0.48437500 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0