! Pwscf input file created with ciftopw.py ! Compound: Ge3Rh5 &control calculation = 'bands' prefix = 'Ge3Rh5' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 7.4833149164400004 celldm(2) = 1.3686868686868687 celldm(3) = 2.6060606060606060 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 16 ntyp = 2 ecutwfc = 55.00000000 ecutrho = 364.00000000 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 Rh 102.9055 Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 352 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 0.01724138 0.00000000 1.0 0.50000000 0.03448276 0.00000000 1.0 0.50000000 0.05172414 0.00000000 1.0 0.50000000 0.06896552 0.00000000 1.0 0.50000000 0.08620690 0.00000000 1.0 0.50000000 0.10344828 0.00000000 1.0 0.50000000 0.12068966 0.00000000 1.0 0.50000000 0.13793103 0.00000000 1.0 0.50000000 0.15517241 0.00000000 1.0 0.50000000 0.17241379 0.00000000 1.0 0.50000000 0.18965517 0.00000000 1.0 0.50000000 0.20689655 0.00000000 1.0 0.50000000 0.22413793 0.00000000 1.0 0.50000000 0.24137931 0.00000000 1.0 0.50000000 0.25862069 0.00000000 1.0 0.50000000 0.27586207 0.00000000 1.0 0.50000000 0.29310345 0.00000000 1.0 0.50000000 0.31034483 0.00000000 1.0 0.50000000 0.32758621 0.00000000 1.0 0.50000000 0.34482759 0.00000000 1.0 0.50000000 0.36206897 0.00000000 1.0 0.50000000 0.37931034 0.00000000 1.0 0.50000000 0.39655172 0.00000000 1.0 0.50000000 0.41379310 0.00000000 1.0 0.50000000 0.43103448 0.00000000 1.0 0.50000000 0.44827586 0.00000000 1.0 0.50000000 0.46551724 0.00000000 1.0 0.50000000 0.48275862 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 0.48275862 0.00000000 1.0 0.00000000 0.46551724 0.00000000 1.0 0.00000000 0.44827586 0.00000000 1.0 0.00000000 0.43103448 0.00000000 1.0 0.00000000 0.41379310 0.00000000 1.0 0.00000000 0.39655172 0.00000000 1.0 0.00000000 0.37931034 0.00000000 1.0 0.00000000 0.36206897 0.00000000 1.0 0.00000000 0.34482759 0.00000000 1.0 0.00000000 0.32758621 0.00000000 1.0 0.00000000 0.31034483 0.00000000 1.0 0.00000000 0.29310345 0.00000000 1.0 0.00000000 0.27586207 0.00000000 1.0 0.00000000 0.25862069 0.00000000 1.0 0.00000000 0.24137931 0.00000000 1.0 0.00000000 0.22413793 0.00000000 1.0 0.00000000 0.20689655 0.00000000 1.0 0.00000000 0.18965517 0.00000000 1.0 0.00000000 0.17241379 0.00000000 1.0 0.00000000 0.15517241 0.00000000 1.0 0.00000000 0.13793103 0.00000000 1.0 0.00000000 0.12068966 0.00000000 1.0 0.00000000 0.10344828 0.00000000 1.0 0.00000000 0.08620690 0.00000000 1.0 0.00000000 0.06896552 0.00000000 1.0 0.00000000 0.05172414 0.00000000 1.0 0.00000000 0.03448276 0.00000000 1.0 0.00000000 0.01724138 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 0.01250000 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 0.01724138 0.50000000 1.0 0.50000000 0.03448276 0.50000000 1.0 0.50000000 0.05172414 0.50000000 1.0 0.50000000 0.06896552 0.50000000 1.0 0.50000000 0.08620690 0.50000000 1.0 0.50000000 0.10344828 0.50000000 1.0 0.50000000 0.12068966 0.50000000 1.0 0.50000000 0.13793103 0.50000000 1.0 0.50000000 0.15517241 0.50000000 1.0 0.50000000 0.17241379 0.50000000 1.0 0.50000000 0.18965517 0.50000000 1.0 0.50000000 0.20689655 0.50000000 1.0 0.50000000 0.22413793 0.50000000 1.0 0.50000000 0.24137931 0.50000000 1.0 0.50000000 0.25862069 0.50000000 1.0 0.50000000 0.27586207 0.50000000 1.0 0.50000000 0.29310345 0.50000000 1.0 0.50000000 0.31034483 0.50000000 1.0 0.50000000 0.32758621 0.50000000 1.0 0.50000000 0.34482759 0.50000000 1.0 0.50000000 0.36206897 0.50000000 1.0 0.50000000 0.37931034 0.50000000 1.0 0.50000000 0.39655172 0.50000000 1.0 0.50000000 0.41379310 0.50000000 1.0 0.50000000 0.43103448 0.50000000 1.0 0.50000000 0.44827586 0.50000000 1.0 0.50000000 0.46551724 0.50000000 1.0 0.50000000 0.48275862 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 0.48275862 0.50000000 1.0 0.00000000 0.46551724 0.50000000 1.0 0.00000000 0.44827586 0.50000000 1.0 0.00000000 0.43103448 0.50000000 1.0 0.00000000 0.41379310 0.50000000 1.0 0.00000000 0.39655172 0.50000000 1.0 0.00000000 0.37931034 0.50000000 1.0 0.00000000 0.36206897 0.50000000 1.0 0.00000000 0.34482759 0.50000000 1.0 0.00000000 0.32758621 0.50000000 1.0 0.00000000 0.31034483 0.50000000 1.0 0.00000000 0.29310345 0.50000000 1.0 0.00000000 0.27586207 0.50000000 1.0 0.00000000 0.25862069 0.50000000 1.0 0.00000000 0.24137931 0.50000000 1.0 0.00000000 0.22413793 0.50000000 1.0 0.00000000 0.20689655 0.50000000 1.0 0.00000000 0.18965517 0.50000000 1.0 0.00000000 0.17241379 0.50000000 1.0 0.00000000 0.15517241 0.50000000 1.0 0.00000000 0.13793103 0.50000000 1.0 0.00000000 0.12068966 0.50000000 1.0 0.00000000 0.10344828 0.50000000 1.0 0.00000000 0.08620690 0.50000000 1.0 0.00000000 0.06896552 0.50000000 1.0 0.00000000 0.05172414 0.50000000 1.0 0.00000000 0.03448276 0.50000000 1.0 0.00000000 0.01724138 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