! Pwscf input file created with ciftopw.py ! Compound: ZrCoGe &control calculation = 'bands' prefix = 'ZrCoGe' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 7.4266231367700000 celldm(2) = 1.6605597964376591 celldm(3) = 1.8519083969465648 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 12 ntyp = 3 ecutwfc = 80.00000000 ecutrho = 320.00000000 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 Ge 72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF Zr 91.2240 Zr.rel-pbe-n-nc.UPF Co 58.9332 Co.rel-pbe-oncvpsp.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 360 0.00000000 0.00000000 0.00000000 1.0 0.01250000 0.00000000 0.00000000 1.0 0.02500000 0.00000000 0.00000000 1.0 0.03750000 0.00000000 0.00000000 1.0 0.05000000 0.00000000 0.00000000 1.0 0.06250000 0.00000000 0.00000000 1.0 0.07500000 0.00000000 0.00000000 1.0 0.08750000 0.00000000 0.00000000 1.0 0.10000000 0.00000000 0.00000000 1.0 0.11250000 0.00000000 0.00000000 1.0 0.12500000 0.00000000 0.00000000 1.0 0.13750000 0.00000000 0.00000000 1.0 0.15000000 0.00000000 0.00000000 1.0 0.16250000 0.00000000 0.00000000 1.0 0.17500000 0.00000000 0.00000000 1.0 0.18750000 0.00000000 0.00000000 1.0 0.20000000 0.00000000 0.00000000 1.0 0.21250000 0.00000000 0.00000000 1.0 0.22500000 0.00000000 0.00000000 1.0 0.23750000 0.00000000 0.00000000 1.0 0.25000000 0.00000000 0.00000000 1.0 0.26250000 0.00000000 0.00000000 1.0 0.27500000 0.00000000 0.00000000 1.0 0.28750000 -0.00000000 0.00000000 1.0 0.30000000 0.00000000 0.00000000 1.0 0.31250000 0.00000000 0.00000000 1.0 0.32500000 0.00000000 0.00000000 1.0 0.33750000 0.00000000 0.00000000 1.0 0.35000000 0.00000000 0.00000000 1.0 0.36250000 0.00000000 0.00000000 1.0 0.37500000 0.00000000 0.00000000 1.0 0.38750000 0.00000000 0.00000000 1.0 0.40000000 0.00000000 0.00000000 1.0 0.41250000 0.00000000 0.00000000 1.0 0.42500000 0.00000000 0.00000000 1.0 0.43750000 0.00000000 0.00000000 1.0 0.45000000 0.00000000 0.00000000 1.0 0.46250000 0.00000000 0.00000000 1.0 0.47500000 0.00000000 0.00000000 1.0 0.48750000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.02000000 0.00000000 1.0 0.50000000 0.04000000 0.00000000 1.0 0.50000000 0.06000000 0.00000000 1.0 0.50000000 0.08000000 0.00000000 1.0 0.50000000 0.10000000 0.00000000 1.0 0.50000000 0.12000000 0.00000000 1.0 0.50000000 0.14000000 0.00000000 1.0 0.50000000 0.16000000 0.00000000 1.0 0.50000000 0.18000000 0.00000000 1.0 0.50000000 0.20000000 0.00000000 1.0 0.50000000 0.22000000 0.00000000 1.0 0.50000000 0.24000000 0.00000000 1.0 0.50000000 0.26000000 0.00000000 1.0 0.50000000 0.28000000 0.00000000 1.0 0.50000000 0.30000000 0.00000000 1.0 0.50000000 0.32000000 0.00000000 1.0 0.50000000 0.34000000 0.00000000 1.0 0.50000000 0.36000000 0.00000000 1.0 0.50000000 0.38000000 0.00000000 1.0 0.50000000 0.40000000 0.00000000 1.0 0.50000000 0.42000000 0.00000000 1.0 0.50000000 0.44000000 0.00000000 1.0 0.50000000 0.46000000 0.00000000 1.0 0.50000000 0.48000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.48750000 0.50000000 0.00000000 1.0 0.47500000 0.50000000 0.00000000 1.0 0.46250000 0.50000000 0.00000000 1.0 0.45000000 0.50000000 0.00000000 1.0 0.43750000 0.50000000 0.00000000 1.0 0.42500000 0.50000000 0.00000000 1.0 0.41250000 0.50000000 0.00000000 1.0 0.40000000 0.50000000 0.00000000 1.0 0.38750000 0.50000000 0.00000000 1.0 0.37500000 0.50000000 0.00000000 1.0 0.36250000 0.50000000 0.00000000 1.0 0.35000000 0.50000000 0.00000000 1.0 0.33750000 0.50000000 0.00000000 1.0 0.32500000 0.50000000 0.00000000 1.0 0.31250000 0.50000000 0.00000000 1.0 0.30000000 0.50000000 0.00000000 1.0 0.28750000 0.50000000 0.00000000 1.0 0.27500000 0.50000000 0.00000000 1.0 0.26250000 0.50000000 0.00000000 1.0 0.25000000 0.50000000 0.00000000 1.0 0.23750000 0.50000000 0.00000000 1.0 0.22500000 0.50000000 0.00000000 1.0 0.21250000 0.50000000 0.00000000 1.0 0.20000000 0.50000000 0.00000000 1.0 0.18750000 0.50000000 0.00000000 1.0 0.17500000 0.50000000 0.00000000 1.0 0.16250000 0.50000000 0.00000000 1.0 0.15000000 0.50000000 0.00000000 1.0 0.13750000 0.50000000 0.00000000 1.0 0.12500000 0.50000000 0.00000000 1.0 0.11250000 0.50000000 0.00000000 1.0 0.10000000 0.50000000 0.00000000 1.0 0.08750000 0.50000000 0.00000000 1.0 0.07500000 0.50000000 0.00000000 1.0 0.06250000 0.50000000 0.00000000 1.0 0.05000000 0.50000000 0.00000000 1.0 0.03750000 0.50000000 0.00000000 1.0 0.02500000 0.50000000 0.00000000 1.0 0.01250000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.48000000 0.00000000 1.0 0.00000000 0.46000000 0.00000000 1.0 0.00000000 0.44000000 0.00000000 1.0 0.00000000 0.42000000 0.00000000 1.0 0.00000000 0.40000000 0.00000000 1.0 0.00000000 0.38000000 0.00000000 1.0 0.00000000 0.36000000 0.00000000 1.0 0.00000000 0.34000000 0.00000000 1.0 0.00000000 0.32000000 0.00000000 1.0 0.00000000 0.30000000 0.00000000 1.0 0.00000000 0.28000000 0.00000000 1.0 0.00000000 0.26000000 0.00000000 1.0 0.00000000 0.24000000 0.00000000 1.0 0.00000000 0.22000000 0.00000000 1.0 0.00000000 0.20000000 0.00000000 1.0 0.00000000 0.18000000 0.00000000 1.0 0.00000000 0.16000000 0.00000000 1.0 0.00000000 0.14000000 0.00000000 1.0 0.00000000 0.12000000 0.00000000 1.0 0.00000000 0.10000000 0.00000000 1.0 0.00000000 0.08000000 0.00000000 1.0 0.00000000 0.06000000 0.00000000 1.0 0.00000000 0.04000000 0.00000000 1.0 0.00000000 0.02000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.00000000 0.00000000 0.02272727 1.0 -0.00000000 0.00000000 0.04545455 1.0 0.00000000 0.00000000 0.06818182 1.0 -0.00000000 0.00000000 0.09090909 1.0 0.00000000 0.00000000 0.11363636 1.0 0.00000000 0.00000000 0.13636364 1.0 -0.00000000 0.00000000 0.15909091 1.0 -0.00000000 0.00000000 0.18181818 1.0 -0.00000000 0.00000000 0.20454545 1.0 0.00000000 0.00000000 0.22727273 1.0 0.00000000 0.00000000 0.25000000 1.0 0.00000000 0.00000000 0.27272727 1.0 0.00000000 0.00000000 0.29545455 1.0 -0.00000000 0.00000000 0.31818182 1.0 0.00000000 0.00000000 0.34090909 1.0 -0.00000000 0.00000000 0.36363636 1.0 0.00000000 0.00000000 0.38636364 1.0 -0.00000000 0.00000000 0.40909091 1.0 -0.00000000 0.00000000 0.43181818 1.0 0.00000000 0.00000000 0.45454545 1.0 0.00000000 0.00000000 0.47727273 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.01250000 0.00000000 0.50000000 1.0 0.02500000 0.00000000 0.50000000 1.0 0.03750000 0.00000000 0.50000000 1.0 0.05000000 0.00000000 0.50000000 1.0 0.06250000 0.00000000 0.50000000 1.0 0.07500000 0.00000000 0.50000000 1.0 0.08750000 0.00000000 0.50000000 1.0 0.10000000 0.00000000 0.50000000 1.0 0.11250000 0.00000000 0.50000000 1.0 0.12500000 0.00000000 0.50000000 1.0 0.13750000 0.00000000 0.50000000 1.0 0.15000000 0.00000000 0.50000000 1.0 0.16250000 0.00000000 0.50000000 1.0 0.17500000 0.00000000 0.50000000 1.0 0.18750000 0.00000000 0.50000000 1.0 0.20000000 0.00000000 0.50000000 1.0 0.21250000 0.00000000 0.50000000 1.0 0.22500000 0.00000000 0.50000000 1.0 0.23750000 0.00000000 0.50000000 1.0 0.25000000 0.00000000 0.50000000 1.0 0.26250000 0.00000000 0.50000000 1.0 0.27500000 0.00000000 0.50000000 1.0 0.28750000 -0.00000000 0.50000000 1.0 0.30000000 0.00000000 0.50000000 1.0 0.31250000 0.00000000 0.50000000 1.0 0.32500000 -0.00000000 0.50000000 1.0 0.33750000 0.00000000 0.50000000 1.0 0.35000000 -0.00000000 0.50000000 1.0 0.36250000 0.00000000 0.50000000 1.0 0.37500000 0.00000000 0.50000000 1.0 0.38750000 0.00000000 0.50000000 1.0 0.40000000 0.00000000 0.50000000 1.0 0.41250000 0.00000000 0.50000000 1.0 0.42500000 0.00000000 0.50000000 1.0 0.43750000 0.00000000 0.50000000 1.0 0.45000000 0.00000000 0.50000000 1.0 0.46250000 0.00000000 0.50000000 1.0 0.47500000 0.00000000 0.50000000 1.0 0.48750000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.02000000 0.50000000 1.0 0.50000000 0.04000000 0.50000000 1.0 0.50000000 0.06000000 0.50000000 1.0 0.50000000 0.08000000 0.50000000 1.0 0.50000000 0.10000000 0.50000000 1.0 0.50000000 0.12000000 0.50000000 1.0 0.50000000 0.14000000 0.50000000 1.0 0.50000000 0.16000000 0.50000000 1.0 0.50000000 0.18000000 0.50000000 1.0 0.50000000 0.20000000 0.50000000 1.0 0.50000000 0.22000000 0.50000000 1.0 0.50000000 0.24000000 0.50000000 1.0 0.50000000 0.26000000 0.50000000 1.0 0.50000000 0.28000000 0.50000000 1.0 0.50000000 0.30000000 0.50000000 1.0 0.50000000 0.32000000 0.50000000 1.0 0.50000000 0.34000000 0.50000000 1.0 0.50000000 0.36000000 0.50000000 1.0 0.50000000 0.38000000 0.50000000 1.0 0.50000000 0.40000000 0.50000000 1.0 0.50000000 0.42000000 0.50000000 1.0 0.50000000 0.44000000 0.50000000 1.0 0.50000000 0.46000000 0.50000000 1.0 0.50000000 0.48000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.48750000 0.50000000 0.50000000 1.0 0.47500000 0.50000000 0.50000000 1.0 0.46250000 0.50000000 0.50000000 1.0 0.45000000 0.50000000 0.50000000 1.0 0.43750000 0.50000000 0.50000000 1.0 0.42500000 0.50000000 0.50000000 1.0 0.41250000 0.50000000 0.50000000 1.0 0.40000000 0.50000000 0.50000000 1.0 0.38750000 0.50000000 0.50000000 1.0 0.37500000 0.50000000 0.50000000 1.0 0.36250000 0.50000000 0.50000000 1.0 0.35000000 0.50000000 0.50000000 1.0 0.33750000 0.50000000 0.50000000 1.0 0.32500000 0.50000000 0.50000000 1.0 0.31250000 0.50000000 0.50000000 1.0 0.30000000 0.50000000 0.50000000 1.0 0.28750000 0.50000000 0.50000000 1.0 0.27500000 0.50000000 0.50000000 1.0 0.26250000 0.50000000 0.50000000 1.0 0.25000000 0.50000000 0.50000000 1.0 0.23750000 0.50000000 0.50000000 1.0 0.22500000 0.50000000 0.50000000 1.0 0.21250000 0.50000000 0.50000000 1.0 0.20000000 0.50000000 0.50000000 1.0 0.18750000 0.50000000 0.50000000 1.0 0.17500000 0.50000000 0.50000000 1.0 0.16250000 0.50000000 0.50000000 1.0 0.15000000 0.50000000 0.50000000 1.0 0.13750000 0.50000000 0.50000000 1.0 0.12500000 0.50000000 0.50000000 1.0 0.11250000 0.50000000 0.50000000 1.0 0.10000000 0.50000000 0.50000000 1.0 0.08750000 0.50000000 0.50000000 1.0 0.07500000 0.50000000 0.50000000 1.0 0.06250000 0.50000000 0.50000000 1.0 0.05000000 0.50000000 0.50000000 1.0 0.03750000 0.50000000 0.50000000 1.0 0.02500000 0.50000000 0.50000000 1.0 0.01250000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.48000000 0.50000000 1.0 0.00000000 0.46000000 0.50000000 1.0 0.00000000 0.44000000 0.50000000 1.0 0.00000000 0.42000000 0.50000000 1.0 0.00000000 0.40000000 0.50000000 1.0 0.00000000 0.38000000 0.50000000 1.0 0.00000000 0.36000000 0.50000000 1.0 0.00000000 0.34000000 0.50000000 1.0 0.00000000 0.32000000 0.50000000 1.0 0.00000000 0.30000000 0.50000000 1.0 0.00000000 0.28000000 0.50000000 1.0 0.00000000 0.26000000 0.50000000 1.0 0.00000000 0.24000000 0.50000000 1.0 0.00000000 0.22000000 0.50000000 1.0 0.00000000 0.20000000 0.50000000 1.0 0.00000000 0.18000000 0.50000000 1.0 0.00000000 0.16000000 0.50000000 1.0 0.00000000 0.14000000 0.50000000 1.0 0.00000000 0.12000000 0.50000000 1.0 0.00000000 0.10000000 0.50000000 1.0 0.00000000 0.08000000 0.50000000 1.0 0.00000000 0.06000000 0.50000000 1.0 0.00000000 0.04000000 0.50000000 1.0 0.00000000 0.02000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.02272727 1.0 -0.00000000 0.50000000 0.04545455 1.0 0.00000000 0.50000000 0.06818182 1.0 -0.00000000 0.50000000 0.09090909 1.0 0.00000000 0.50000000 0.11363636 1.0 0.00000000 0.50000000 0.13636364 1.0 -0.00000000 0.50000000 0.15909091 1.0 -0.00000000 0.50000000 0.18181818 1.0 -0.00000000 0.50000000 0.20454545 1.0 0.00000000 0.50000000 0.22727273 1.0 0.00000000 0.50000000 0.25000000 1.0 0.00000000 0.50000000 0.27272727 1.0 0.00000000 0.50000000 0.29545455 1.0 -0.00000000 0.50000000 0.31818182 1.0 0.00000000 0.50000000 0.34090909 1.0 -0.00000000 0.50000000 0.36363636 1.0 0.00000000 0.50000000 0.38636364 1.0 -0.00000000 0.50000000 0.40909091 1.0 -0.00000000 0.50000000 0.43181818 1.0 0.00000000 0.50000000 0.45454545 1.0 0.00000000 0.50000000 0.47727273 1.0 0.00000000 0.50000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.47727273 1.0 0.50000000 0.00000000 0.45454545 1.0 0.50000000 0.00000000 0.43181818 1.0 0.50000000 0.00000000 0.40909091 1.0 0.50000000 0.00000000 0.38636364 1.0 0.50000000 0.00000000 0.36363636 1.0 0.50000000 0.00000000 0.34090909 1.0 0.50000000 0.00000000 0.31818182 1.0 0.50000000 0.00000000 0.29545455 1.0 0.50000000 0.00000000 0.27272727 1.0 0.50000000 -0.00000000 0.25000000 1.0 0.50000000 0.00000000 0.22727273 1.0 0.50000000 0.00000000 0.20454545 1.0 0.50000000 0.00000000 0.18181818 1.0 0.50000000 0.00000000 0.15909091 1.0 0.50000000 0.00000000 0.13636364 1.0 0.50000000 0.00000000 0.11363636 1.0 0.50000000 0.00000000 0.09090909 1.0 0.50000000 0.00000000 0.06818182 1.0 0.50000000 0.00000000 0.04545455 1.0 0.50000000 0.00000000 0.02272727 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.02272727 1.0 0.50000000 0.50000000 0.04545455 1.0 0.50000000 0.50000000 0.06818182 1.0 0.50000000 0.50000000 0.09090909 1.0 0.50000000 0.50000000 0.11363636 1.0 0.50000000 0.50000000 0.13636364 1.0 0.50000000 0.50000000 0.15909091 1.0 0.50000000 0.50000000 0.18181818 1.0 0.50000000 0.50000000 0.20454545 1.0 0.50000000 0.50000000 0.22727273 1.0 0.50000000 0.50000000 0.25000000 1.0 0.50000000 0.50000000 0.27272727 1.0 0.50000000 0.50000000 0.29545455 1.0 0.50000000 0.50000000 0.31818182 1.0 0.50000000 0.50000000 0.34090909 1.0 0.50000000 0.50000000 0.36363636 1.0 0.50000000 0.50000000 0.38636364 1.0 0.50000000 0.50000000 0.40909091 1.0 0.50000000 0.50000000 0.43181818 1.0 0.50000000 0.50000000 0.45454545 1.0 0.50000000 0.50000000 0.47727273 1.0 0.50000000 0.50000000 0.50000000 1.0