! Pwscf input file created with ciftopw.py ! Compound: LiGe2N3 &control calculation = 'bands' prefix = 'LiGe2N3' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 10.3893921982020903 celldm(2) = 1.0000000000000002 celldm(3) = 0.9169072192882964 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.5001509538045628 nat = 12 ntyp = 3 ecutwfc = 103.00000000 ecutrho = 411.00000000 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 Ge 72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF Li 6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF N 14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 364 0.00000000 0.00000000 0.00000000 1.0 0.00854615 0.00854615 0.00000000 1.0 0.01709230 0.01709230 0.00000000 1.0 0.02563845 0.02563845 0.00000000 1.0 0.03418459 0.03418459 0.00000000 1.0 0.04273074 0.04273074 0.00000000 1.0 0.05127689 0.05127689 0.00000000 1.0 0.05982304 0.05982304 0.00000000 1.0 0.06836919 0.06836919 0.00000000 1.0 0.07691534 0.07691534 0.00000000 1.0 0.08546148 0.08546148 0.00000000 1.0 0.09400763 0.09400763 0.00000000 1.0 0.10255378 0.10255378 0.00000000 1.0 0.11109993 0.11109993 0.00000000 1.0 0.11964608 0.11964608 0.00000000 1.0 0.12819223 0.12819223 0.00000000 1.0 0.13673838 0.13673838 0.00000000 1.0 0.14528452 0.14528452 0.00000000 1.0 0.15383067 0.15383067 0.00000000 1.0 0.16237682 0.16237682 0.00000000 1.0 0.17092297 0.17092297 0.00000000 1.0 0.17946912 0.17946912 0.00000000 1.0 0.18801527 0.18801527 0.00000000 1.0 0.19656142 0.19656142 0.00000000 1.0 0.20510756 0.20510756 0.00000000 1.0 0.21365371 0.21365371 0.00000000 1.0 0.22219986 0.22219986 0.00000000 1.0 0.23074601 0.23074601 0.00000000 1.0 0.23929216 0.23929216 0.00000000 1.0 0.24783831 0.24783831 0.00000000 1.0 0.25638445 0.25638445 0.00000000 1.0 0.26493060 0.26493060 0.00000000 1.0 0.27347675 0.27347675 0.00000000 1.0 0.28202290 0.28202290 0.00000000 1.0 0.29056905 0.29056905 0.00000000 1.0 0.29911520 0.29911520 0.00000000 1.0 0.30766135 0.30766135 0.00000000 1.0 0.31620749 0.31620749 0.00000000 1.0 0.32475364 0.32475364 0.00000000 1.0 0.33329979 0.33329979 0.00000000 1.0 0.33329979 0.33329979 0.00000000 1.0 0.31663480 0.34163480 0.00000000 1.0 0.29996981 0.34996981 0.00000000 1.0 0.28330482 0.35830482 0.00000000 1.0 0.26663983 0.36663983 0.00000000 1.0 0.24997484 0.37497484 0.00000000 1.0 0.23330985 0.38330985 0.00000000 1.0 0.21664486 0.39164486 0.00000000 1.0 0.19997987 0.39997987 0.00000000 1.0 0.18331489 0.40831489 0.00000000 1.0 0.16664990 0.41664990 0.00000000 1.0 0.14998491 0.42498491 0.00000000 1.0 0.13331992 0.43331992 0.00000000 1.0 0.11665493 0.44165493 0.00000000 1.0 0.09998994 0.44998994 0.00000000 1.0 0.08332495 0.45832495 0.00000000 1.0 0.06665996 0.46665996 0.00000000 1.0 0.04999497 0.47499497 0.00000000 1.0 0.03332998 0.48332998 0.00000000 1.0 0.01666499 0.49166499 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.01562500 1.0 -0.00000000 0.50000000 0.03125000 1.0 -0.00000000 0.50000000 0.04687500 1.0 -0.00000000 0.50000000 0.06250000 1.0 -0.00000000 0.50000000 0.07812500 1.0 -0.00000000 0.50000000 0.09375000 1.0 -0.00000000 0.50000000 0.10937500 1.0 -0.00000000 0.50000000 0.12500000 1.0 -0.00000000 0.50000000 0.14062500 1.0 -0.00000000 0.50000000 0.15625000 1.0 -0.00000000 0.50000000 0.17187500 1.0 -0.00000000 0.50000000 0.18750000 1.0 -0.00000000 0.50000000 0.20312500 1.0 -0.00000000 0.50000000 0.21875000 1.0 -0.00000000 0.50000000 0.23437500 1.0 -0.00000000 0.50000000 0.25000000 1.0 0.00000000 0.50000000 0.26562500 1.0 0.00000000 0.50000000 0.28125000 1.0 0.00000000 0.50000000 0.29687500 1.0 0.00000000 0.50000000 0.31250000 1.0 0.00000000 0.50000000 0.32812500 1.0 0.00000000 0.50000000 0.34375000 1.0 0.00000000 0.50000000 0.35937500 1.0 0.00000000 0.50000000 0.37500000 1.0 0.00000000 0.50000000 0.39062500 1.0 0.00000000 0.50000000 0.40625000 1.0 0.00000000 0.50000000 0.42187500 1.0 0.00000000 0.50000000 0.43750000 1.0 0.00000000 0.50000000 0.45312500 1.0 0.00000000 0.50000000 0.46875000 1.0 0.00000000 0.50000000 0.48437500 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.01666499 0.49166499 0.50000000 1.0 0.03332998 0.48332998 0.50000000 1.0 0.04999497 0.47499497 0.50000000 1.0 0.06665996 0.46665996 0.50000000 1.0 0.08332495 0.45832495 0.50000000 1.0 0.09998994 0.44998994 0.50000000 1.0 0.11665493 0.44165493 0.50000000 1.0 0.13331992 0.43331992 0.50000000 1.0 0.14998491 0.42498491 0.50000000 1.0 0.16664990 0.41664990 0.50000000 1.0 0.18331489 0.40831489 0.50000000 1.0 0.19997987 0.39997987 0.50000000 1.0 0.21664486 0.39164486 0.50000000 1.0 0.23330985 0.38330985 0.50000000 1.0 0.24997484 0.37497484 0.50000000 1.0 0.26663983 0.36663983 0.50000000 1.0 0.28330482 0.35830482 0.50000000 1.0 0.29996981 0.34996981 0.50000000 1.0 0.31663480 0.34163480 0.50000000 1.0 0.33329979 0.33329979 0.50000000 1.0 0.33329979 0.33329979 0.50000000 1.0 0.32475364 0.32475364 0.50000000 1.0 0.31620749 0.31620749 0.50000000 1.0 0.30766135 0.30766135 0.50000000 1.0 0.29911520 0.29911520 0.50000000 1.0 0.29056905 0.29056905 0.50000000 1.0 0.28202290 0.28202290 0.50000000 1.0 0.27347675 0.27347675 0.50000000 1.0 0.26493060 0.26493060 0.50000000 1.0 0.25638445 0.25638445 0.50000000 1.0 0.24783831 0.24783831 0.50000000 1.0 0.23929216 0.23929216 0.50000000 1.0 0.23074601 0.23074601 0.50000000 1.0 0.22219986 0.22219986 0.50000000 1.0 0.21365371 0.21365371 0.50000000 1.0 0.20510756 0.20510756 0.50000000 1.0 0.19656142 0.19656142 0.50000000 1.0 0.18801527 0.18801527 0.50000000 1.0 0.17946912 0.17946912 0.50000000 1.0 0.17092297 0.17092297 0.50000000 1.0 0.16237682 0.16237682 0.50000000 1.0 0.15383067 0.15383067 0.50000000 1.0 0.14528452 0.14528452 0.50000000 1.0 0.13673838 0.13673838 0.50000000 1.0 0.12819223 0.12819223 0.50000000 1.0 0.11964608 0.11964608 0.50000000 1.0 0.11109993 0.11109993 0.50000000 1.0 0.10255378 0.10255378 0.50000000 1.0 0.09400763 0.09400763 0.50000000 1.0 0.08546148 0.08546148 0.50000000 1.0 0.07691534 0.07691534 0.50000000 1.0 0.06836919 0.06836919 0.50000000 1.0 0.05982304 0.05982304 0.50000000 1.0 0.05127689 0.05127689 0.50000000 1.0 0.04273074 0.04273074 0.50000000 1.0 0.03418459 0.03418459 0.50000000 1.0 0.02563845 0.02563845 0.50000000 1.0 0.01709230 0.01709230 0.50000000 1.0 0.00854615 0.00854615 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 -0.00000000 0.00000000 0.50000000 1.0 -0.00000000 0.00000000 0.48437500 1.0 -0.00000000 0.00000000 0.46875000 1.0 -0.00000000 0.00000000 0.45312500 1.0 -0.00000000 0.00000000 0.43750000 1.0 -0.00000000 0.00000000 0.42187500 1.0 -0.00000000 0.00000000 0.40625000 1.0 -0.00000000 0.00000000 0.39062500 1.0 -0.00000000 0.00000000 0.37500000 1.0 -0.00000000 0.00000000 0.35937500 1.0 -0.00000000 0.00000000 0.34375000 1.0 -0.00000000 0.00000000 0.32812500 1.0 -0.00000000 0.00000000 0.31250000 1.0 -0.00000000 0.00000000 0.29687500 1.0 -0.00000000 0.00000000 0.28125000 1.0 -0.00000000 0.00000000 0.26562500 1.0 -0.00000000 0.00000000 0.25000000 1.0 -0.00000000 0.00000000 0.23437500 1.0 -0.00000000 0.00000000 0.21875000 1.0 -0.00000000 0.00000000 0.20312500 1.0 -0.00000000 0.00000000 0.18750000 1.0 -0.00000000 -0.00000000 0.17187500 1.0 -0.00000000 0.00000000 0.15625000 1.0 -0.00000000 0.00000000 0.14062500 1.0 -0.00000000 0.00000000 0.12500000 1.0 -0.00000000 0.00000000 0.10937500 1.0 0.00000000 -0.00000000 0.09375000 1.0 0.00000000 -0.00000000 0.07812500 1.0 -0.00000000 0.00000000 0.06250000 1.0 -0.00000000 0.00000000 0.04687500 1.0 -0.00000000 0.00000000 0.03125000 1.0 -0.00000000 0.00000000 0.01562500 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.01515152 0.01515152 0.00000000 1.0 -0.03030303 0.03030303 0.00000000 1.0 -0.04545455 0.04545455 0.00000000 1.0 -0.06060606 0.06060606 0.00000000 1.0 -0.07575758 0.07575758 0.00000000 1.0 -0.09090909 0.09090909 0.00000000 1.0 -0.10606061 0.10606061 0.00000000 1.0 -0.12121212 0.12121212 0.00000000 1.0 -0.13636364 0.13636364 0.00000000 1.0 -0.15151515 0.15151515 0.00000000 1.0 -0.16666667 0.16666667 0.00000000 1.0 -0.18181818 0.18181818 0.00000000 1.0 -0.19696970 0.19696970 0.00000000 1.0 -0.21212121 0.21212121 0.00000000 1.0 -0.22727273 0.22727273 0.00000000 1.0 -0.24242424 0.24242424 0.00000000 1.0 -0.25757576 0.25757576 0.00000000 1.0 -0.27272727 0.27272727 0.00000000 1.0 -0.28787879 0.28787879 0.00000000 1.0 -0.30303030 0.30303030 0.00000000 1.0 -0.31818182 0.31818182 0.00000000 1.0 -0.33333333 0.33333333 0.00000000 1.0 -0.34848485 0.34848485 0.00000000 1.0 -0.36363636 0.36363636 0.00000000 1.0 -0.37878788 0.37878788 0.00000000 1.0 -0.39393939 0.39393939 0.00000000 1.0 -0.40909091 0.40909091 0.00000000 1.0 -0.42424242 0.42424242 0.00000000 1.0 -0.43939394 0.43939394 0.00000000 1.0 -0.45454545 0.45454545 0.00000000 1.0 -0.46969697 0.46969697 0.00000000 1.0 -0.48484848 0.48484848 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.49166499 0.50833501 0.00000000 1.0 -0.48332998 0.51667002 0.00000000 1.0 -0.47499497 0.52500503 0.00000000 1.0 -0.46665996 0.53334004 0.00000000 1.0 -0.45832495 0.54167505 0.00000000 1.0 -0.44998994 0.55001006 0.00000000 1.0 -0.44165493 0.55834507 0.00000000 1.0 -0.43331992 0.56668008 0.00000000 1.0 -0.42498491 0.57501509 0.00000000 1.0 -0.41664990 0.58335010 0.00000000 1.0 -0.40831489 0.59168511 0.00000000 1.0 -0.39997987 0.60002013 0.00000000 1.0 -0.39164486 0.60835514 0.00000000 1.0 -0.38330985 0.61669015 0.00000000 1.0 -0.37497484 0.62502516 0.00000000 1.0 -0.36663983 0.63336017 0.00000000 1.0 -0.35830482 0.64169518 0.00000000 1.0 -0.34996981 0.65003019 0.00000000 1.0 -0.34163480 0.65836520 0.00000000 1.0 -0.33329979 0.66670021 0.00000000 1.0 -0.33329979 0.66670021 0.00000000 1.0 -0.33329979 0.66670021 0.01562500 1.0 -0.33329979 0.66670021 0.03125000 1.0 -0.33329979 0.66670021 0.04687500 1.0 -0.33329979 0.66670021 0.06250000 1.0 -0.33329979 0.66670021 0.07812500 1.0 -0.33329979 0.66670021 0.09375000 1.0 -0.33329979 0.66670021 0.10937500 1.0 -0.33329979 0.66670021 0.12500000 1.0 -0.33329979 0.66670021 0.14062500 1.0 -0.33329979 0.66670021 0.15625000 1.0 -0.33329979 0.66670021 0.17187500 1.0 -0.33329979 0.66670021 0.18750000 1.0 -0.33329979 0.66670021 0.20312500 1.0 -0.33329979 0.66670021 0.21875000 1.0 -0.33329979 0.66670021 0.23437500 1.0 -0.33329979 0.66670021 0.25000000 1.0 -0.33329979 0.66670021 0.26562500 1.0 -0.33329979 0.66670021 0.28125000 1.0 -0.33329979 0.66670021 0.29687500 1.0 -0.33329979 0.66670021 0.31250000 1.0 -0.33329979 0.66670021 0.32812500 1.0 -0.33329979 0.66670021 0.34375000 1.0 -0.33329979 0.66670021 0.35937500 1.0 -0.33329979 0.66670021 0.37500000 1.0 -0.33329979 0.66670021 0.39062500 1.0 -0.33329979 0.66670021 0.40625000 1.0 -0.33329979 0.66670021 0.42187500 1.0 -0.33329979 0.66670021 0.43750000 1.0 -0.33329979 0.66670021 0.45312500 1.0 -0.33329979 0.66670021 0.46875000 1.0 -0.33329979 0.66670021 0.48437500 1.0 -0.33329979 0.66670021 0.50000000 1.0 -0.33329979 0.66670021 0.50000000 1.0 -0.34163480 0.65836520 0.50000000 1.0 -0.34996981 0.65003019 0.50000000 1.0 -0.35830482 0.64169518 0.50000000 1.0 -0.36663983 0.63336017 0.50000000 1.0 -0.37497484 0.62502516 0.50000000 1.0 -0.38330985 0.61669015 0.50000000 1.0 -0.39164486 0.60835514 0.50000000 1.0 -0.39997987 0.60002013 0.50000000 1.0 -0.40831489 0.59168511 0.50000000 1.0 -0.41664990 0.58335010 0.50000000 1.0 -0.42498491 0.57501509 0.50000000 1.0 -0.43331992 0.56668008 0.50000000 1.0 -0.44165493 0.55834507 0.50000000 1.0 -0.44998994 0.55001006 0.50000000 1.0 -0.45832495 0.54167505 0.50000000 1.0 -0.46665996 0.53334004 0.50000000 1.0 -0.47499497 0.52500503 0.50000000 1.0 -0.48332998 0.51667002 0.50000000 1.0 -0.49166499 0.50833501 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.48437500 1.0 -0.50000000 0.50000000 0.46875000 1.0 -0.50000000 0.50000000 0.45312500 1.0 -0.50000000 0.50000000 0.43750000 1.0 -0.50000000 0.50000000 0.42187500 1.0 -0.50000000 0.50000000 0.40625000 1.0 -0.50000000 0.50000000 0.39062500 1.0 -0.50000000 0.50000000 0.37500000 1.0 -0.50000000 0.50000000 0.35937500 1.0 -0.50000000 0.50000000 0.34375000 1.0 -0.50000000 0.50000000 0.32812500 1.0 -0.50000000 0.50000000 0.31250000 1.0 -0.50000000 0.50000000 0.29687500 1.0 -0.50000000 0.50000000 0.28125000 1.0 -0.50000000 0.50000000 0.26562500 1.0 -0.50000000 0.50000000 0.25000000 1.0 -0.50000000 0.50000000 0.23437500 1.0 -0.50000000 0.50000000 0.21875000 1.0 -0.50000000 0.50000000 0.20312500 1.0 -0.50000000 0.50000000 0.18750000 1.0 -0.50000000 0.50000000 0.17187500 1.0 -0.50000000 0.50000000 0.15625000 1.0 -0.50000000 0.50000000 0.14062500 1.0 -0.50000000 0.50000000 0.12500000 1.0 -0.50000000 0.50000000 0.10937500 1.0 -0.50000000 0.50000000 0.09375000 1.0 -0.50000000 0.50000000 0.07812500 1.0 -0.50000000 0.50000000 0.06250000 1.0 -0.50000000 0.50000000 0.04687500 1.0 -0.50000000 0.50000000 0.03125000 1.0 -0.50000000 0.50000000 0.01562500 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.00000000 0.00000000 0.50000000 1.0 -0.01515152 0.01515152 0.50000000 1.0 -0.03030303 0.03030303 0.50000000 1.0 -0.04545455 0.04545455 0.50000000 1.0 -0.06060606 0.06060606 0.50000000 1.0 -0.07575758 0.07575758 0.50000000 1.0 -0.09090909 0.09090909 0.50000000 1.0 -0.10606061 0.10606061 0.50000000 1.0 -0.12121212 0.12121212 0.50000000 1.0 -0.13636364 0.13636364 0.50000000 1.0 -0.15151515 0.15151515 0.50000000 1.0 -0.16666667 0.16666667 0.50000000 1.0 -0.18181818 0.18181818 0.50000000 1.0 -0.19696970 0.19696970 0.50000000 1.0 -0.21212121 0.21212121 0.50000000 1.0 -0.22727273 0.22727273 0.50000000 1.0 -0.24242424 0.24242424 0.50000000 1.0 -0.25757576 0.25757576 0.50000000 1.0 -0.27272727 0.27272727 0.50000000 1.0 -0.28787879 0.28787879 0.50000000 1.0 -0.30303030 0.30303030 0.50000000 1.0 -0.31818182 0.31818182 0.50000000 1.0 -0.33333333 0.33333333 0.50000000 1.0 -0.34848485 0.34848485 0.50000000 1.0 -0.36363636 0.36363636 0.50000000 1.0 -0.37878788 0.37878788 0.50000000 1.0 -0.39393939 0.39393939 0.50000000 1.0 -0.40909091 0.40909091 0.50000000 1.0 -0.42424242 0.42424242 0.50000000 1.0 -0.43939394 0.43939394 0.50000000 1.0 -0.45454545 0.45454545 0.50000000 1.0 -0.46969697 0.46969697 0.50000000 1.0 -0.48484848 0.48484848 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0