! Pwscf input file created with ciftopw.py ! Compound: AsRh2 &control calculation = 'bands' prefix = 'AsRh2' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 7.4039464249020002 celldm(2) = 1.5068912710566615 celldm(3) = 1.8764675855028075 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 12 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 As 74.9216 As.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 372 0.00000000 0.00000000 0.00000000 1.0 0.01219512 -0.00000000 0.00000000 1.0 0.02439024 -0.00000000 0.00000000 1.0 0.03658537 -0.00000000 0.00000000 1.0 0.04878049 -0.00000000 0.00000000 1.0 0.06097561 -0.00000000 0.00000000 1.0 0.07317073 -0.00000000 0.00000000 1.0 0.08536585 0.00000000 0.00000000 1.0 0.09756098 -0.00000000 0.00000000 1.0 0.10975610 -0.00000000 0.00000000 1.0 0.12195122 -0.00000000 0.00000000 1.0 0.13414634 -0.00000000 0.00000000 1.0 0.14634146 -0.00000000 0.00000000 1.0 0.15853659 -0.00000000 0.00000000 1.0 0.17073171 0.00000000 0.00000000 1.0 0.18292683 0.00000000 0.00000000 1.0 0.19512195 -0.00000000 0.00000000 1.0 0.20731707 0.00000000 0.00000000 1.0 0.21951220 -0.00000000 0.00000000 1.0 0.23170732 0.00000000 0.00000000 1.0 0.24390244 -0.00000000 0.00000000 1.0 0.25609756 0.00000000 0.00000000 1.0 0.26829268 -0.00000000 0.00000000 1.0 0.28048780 0.00000000 0.00000000 1.0 0.29268293 -0.00000000 0.00000000 1.0 0.30487805 0.00000000 0.00000000 1.0 0.31707317 -0.00000000 0.00000000 1.0 0.32926829 0.00000000 0.00000000 1.0 0.34146341 0.00000000 0.00000000 1.0 0.35365854 0.00000000 0.00000000 1.0 0.36585366 0.00000000 0.00000000 1.0 0.37804878 -0.00000000 0.00000000 1.0 0.39024390 -0.00000000 0.00000000 1.0 0.40243902 0.00000000 0.00000000 1.0 0.41463415 0.00000000 0.00000000 1.0 0.42682927 -0.00000000 0.00000000 1.0 0.43902439 -0.00000000 0.00000000 1.0 0.45121951 -0.00000000 0.00000000 1.0 0.46341463 0.00000000 0.00000000 1.0 0.47560976 0.00000000 0.00000000 1.0 0.48780488 -0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.01851852 0.00000000 1.0 0.50000000 0.03703704 0.00000000 1.0 0.50000000 0.05555556 0.00000000 1.0 0.50000000 0.07407407 0.00000000 1.0 0.50000000 0.09259259 0.00000000 1.0 0.50000000 0.11111111 0.00000000 1.0 0.50000000 0.12962963 0.00000000 1.0 0.50000000 0.14814815 0.00000000 1.0 0.50000000 0.16666667 0.00000000 1.0 0.50000000 0.18518519 0.00000000 1.0 0.50000000 0.20370370 0.00000000 1.0 0.50000000 0.22222222 0.00000000 1.0 0.50000000 0.24074074 0.00000000 1.0 0.50000000 0.25925926 0.00000000 1.0 0.50000000 0.27777778 0.00000000 1.0 0.50000000 0.29629630 0.00000000 1.0 0.50000000 0.31481481 0.00000000 1.0 0.50000000 0.33333333 0.00000000 1.0 0.50000000 0.35185185 0.00000000 1.0 0.50000000 0.37037037 0.00000000 1.0 0.50000000 0.38888889 0.00000000 1.0 0.50000000 0.40740741 0.00000000 1.0 0.50000000 0.42592593 0.00000000 1.0 0.50000000 0.44444444 0.00000000 1.0 0.50000000 0.46296296 0.00000000 1.0 0.50000000 0.48148148 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.48780488 0.50000000 0.00000000 1.0 0.47560976 0.50000000 0.00000000 1.0 0.46341463 0.50000000 0.00000000 1.0 0.45121951 0.50000000 0.00000000 1.0 0.43902439 0.50000000 0.00000000 1.0 0.42682927 0.50000000 0.00000000 1.0 0.41463415 0.50000000 0.00000000 1.0 0.40243902 0.50000000 0.00000000 1.0 0.39024390 0.50000000 0.00000000 1.0 0.37804878 0.50000000 0.00000000 1.0 0.36585366 0.50000000 0.00000000 1.0 0.35365854 0.50000000 0.00000000 1.0 0.34146341 0.50000000 0.00000000 1.0 0.32926829 0.50000000 0.00000000 1.0 0.31707317 0.50000000 0.00000000 1.0 0.30487805 0.50000000 0.00000000 1.0 0.29268293 0.50000000 0.00000000 1.0 0.28048780 0.50000000 0.00000000 1.0 0.26829268 0.50000000 0.00000000 1.0 0.25609756 0.50000000 0.00000000 1.0 0.24390244 0.50000000 0.00000000 1.0 0.23170732 0.50000000 0.00000000 1.0 0.21951220 0.50000000 0.00000000 1.0 0.20731707 0.50000000 0.00000000 1.0 0.19512195 0.50000000 0.00000000 1.0 0.18292683 0.50000000 0.00000000 1.0 0.17073171 0.50000000 0.00000000 1.0 0.15853659 0.50000000 0.00000000 1.0 0.14634146 0.50000000 0.00000000 1.0 0.13414634 0.50000000 0.00000000 1.0 0.12195122 0.50000000 0.00000000 1.0 0.10975610 0.50000000 0.00000000 1.0 0.09756098 0.50000000 0.00000000 1.0 0.08536585 0.50000000 0.00000000 1.0 0.07317073 0.50000000 0.00000000 1.0 0.06097561 0.50000000 0.00000000 1.0 0.04878049 0.50000000 0.00000000 1.0 0.03658537 0.50000000 0.00000000 1.0 0.02439024 0.50000000 0.00000000 1.0 0.01219512 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.48148148 0.00000000 1.0 0.00000000 0.46296296 0.00000000 1.0 0.00000000 0.44444444 0.00000000 1.0 0.00000000 0.42592593 0.00000000 1.0 0.00000000 0.40740741 0.00000000 1.0 0.00000000 0.38888889 0.00000000 1.0 0.00000000 0.37037037 0.00000000 1.0 0.00000000 0.35185185 0.00000000 1.0 0.00000000 0.33333333 0.00000000 1.0 0.00000000 0.31481481 0.00000000 1.0 0.00000000 0.29629630 0.00000000 1.0 0.00000000 0.27777778 0.00000000 1.0 0.00000000 0.25925926 0.00000000 1.0 0.00000000 0.24074074 0.00000000 1.0 0.00000000 0.22222222 0.00000000 1.0 0.00000000 0.20370370 0.00000000 1.0 0.00000000 0.18518519 0.00000000 1.0 0.00000000 0.16666667 0.00000000 1.0 0.00000000 0.14814815 0.00000000 1.0 0.00000000 0.12962963 0.00000000 1.0 0.00000000 0.11111111 0.00000000 1.0 0.00000000 0.09259259 0.00000000 1.0 0.00000000 0.07407407 0.00000000 1.0 0.00000000 0.05555556 0.00000000 1.0 0.00000000 0.03703704 0.00000000 1.0 0.00000000 0.01851852 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 0.01219512 0.00000000 0.50000000 1.0 0.02439024 0.00000000 0.50000000 1.0 0.03658537 -0.00000000 0.50000000 1.0 0.04878049 0.00000000 0.50000000 1.0 0.06097561 0.00000000 0.50000000 1.0 0.07317073 0.00000000 0.50000000 1.0 0.08536585 -0.00000000 0.50000000 1.0 0.09756098 -0.00000000 0.50000000 1.0 0.10975610 0.00000000 0.50000000 1.0 0.12195122 0.00000000 0.50000000 1.0 0.13414634 -0.00000000 0.50000000 1.0 0.14634146 0.00000000 0.50000000 1.0 0.15853659 -0.00000000 0.50000000 1.0 0.17073171 0.00000000 0.50000000 1.0 0.18292683 0.00000000 0.50000000 1.0 0.19512195 -0.00000000 0.50000000 1.0 0.20731707 0.00000000 0.50000000 1.0 0.21951220 0.00000000 0.50000000 1.0 0.23170732 0.00000000 0.50000000 1.0 0.24390244 0.00000000 0.50000000 1.0 0.25609756 0.00000000 0.50000000 1.0 0.26829268 0.00000000 0.50000000 1.0 0.28048780 0.00000000 0.50000000 1.0 0.29268293 0.00000000 0.50000000 1.0 0.30487805 0.00000000 0.50000000 1.0 0.31707317 0.00000000 0.50000000 1.0 0.32926829 0.00000000 0.50000000 1.0 0.34146341 0.00000000 0.50000000 1.0 0.35365854 0.00000000 0.50000000 1.0 0.36585366 0.00000000 0.50000000 1.0 0.37804878 0.00000000 0.50000000 1.0 0.39024390 -0.00000000 0.50000000 1.0 0.40243902 -0.00000000 0.50000000 1.0 0.41463415 0.00000000 0.50000000 1.0 0.42682927 -0.00000000 0.50000000 1.0 0.43902439 -0.00000000 0.50000000 1.0 0.45121951 -0.00000000 0.50000000 1.0 0.46341463 0.00000000 0.50000000 1.0 0.47560976 0.00000000 0.50000000 1.0 0.48780488 -0.00000000 0.50000000 1.0 0.50000000 -0.00000000 0.50000000 1.0 0.50000000 -0.00000000 0.50000000 1.0 0.50000000 0.01851852 0.50000000 1.0 0.50000000 0.03703704 0.50000000 1.0 0.50000000 0.05555556 0.50000000 1.0 0.50000000 0.07407407 0.50000000 1.0 0.50000000 0.09259259 0.50000000 1.0 0.50000000 0.11111111 0.50000000 1.0 0.50000000 0.12962963 0.50000000 1.0 0.50000000 0.14814815 0.50000000 1.0 0.50000000 0.16666667 0.50000000 1.0 0.50000000 0.18518519 0.50000000 1.0 0.50000000 0.20370370 0.50000000 1.0 0.50000000 0.22222222 0.50000000 1.0 0.50000000 0.24074074 0.50000000 1.0 0.50000000 0.25925926 0.50000000 1.0 0.50000000 0.27777778 0.50000000 1.0 0.50000000 0.29629630 0.50000000 1.0 0.50000000 0.31481481 0.50000000 1.0 0.50000000 0.33333333 0.50000000 1.0 0.50000000 0.35185185 0.50000000 1.0 0.50000000 0.37037037 0.50000000 1.0 0.50000000 0.38888889 0.50000000 1.0 0.50000000 0.40740741 0.50000000 1.0 0.50000000 0.42592593 0.50000000 1.0 0.50000000 0.44444444 0.50000000 1.0 0.50000000 0.46296296 0.50000000 1.0 0.50000000 0.48148148 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.48780488 0.50000000 0.50000000 1.0 0.47560976 0.50000000 0.50000000 1.0 0.46341463 0.50000000 0.50000000 1.0 0.45121951 0.50000000 0.50000000 1.0 0.43902439 0.50000000 0.50000000 1.0 0.42682927 0.50000000 0.50000000 1.0 0.41463415 0.50000000 0.50000000 1.0 0.40243902 0.50000000 0.50000000 1.0 0.39024390 0.50000000 0.50000000 1.0 0.37804878 0.50000000 0.50000000 1.0 0.36585366 0.50000000 0.50000000 1.0 0.35365854 0.50000000 0.50000000 1.0 0.34146341 0.50000000 0.50000000 1.0 0.32926829 0.50000000 0.50000000 1.0 0.31707317 0.50000000 0.50000000 1.0 0.30487805 0.50000000 0.50000000 1.0 0.29268293 0.50000000 0.50000000 1.0 0.28048780 0.50000000 0.50000000 1.0 0.26829268 0.50000000 0.50000000 1.0 0.25609756 0.50000000 0.50000000 1.0 0.24390244 0.50000000 0.50000000 1.0 0.23170732 0.50000000 0.50000000 1.0 0.21951220 0.50000000 0.50000000 1.0 0.20731707 0.50000000 0.50000000 1.0 0.19512195 0.50000000 0.50000000 1.0 0.18292683 0.50000000 0.50000000 1.0 0.17073171 0.50000000 0.50000000 1.0 0.15853659 0.50000000 0.50000000 1.0 0.14634146 0.50000000 0.50000000 1.0 0.13414634 0.50000000 0.50000000 1.0 0.12195122 0.50000000 0.50000000 1.0 0.10975610 0.50000000 0.50000000 1.0 0.09756098 0.50000000 0.50000000 1.0 0.08536585 0.50000000 0.50000000 1.0 0.07317073 0.50000000 0.50000000 1.0 0.06097561 0.50000000 0.50000000 1.0 0.04878049 0.50000000 0.50000000 1.0 0.03658537 0.50000000 0.50000000 1.0 0.02439024 0.50000000 0.50000000 1.0 0.01219512 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.48148148 0.50000000 1.0 0.00000000 0.46296296 0.50000000 1.0 0.00000000 0.44444444 0.50000000 1.0 0.00000000 0.42592593 0.50000000 1.0 0.00000000 0.40740741 0.50000000 1.0 0.00000000 0.38888889 0.50000000 1.0 0.00000000 0.37037037 0.50000000 1.0 0.00000000 0.35185185 0.50000000 1.0 0.00000000 0.33333333 0.50000000 1.0 0.00000000 0.31481481 0.50000000 1.0 0.00000000 0.29629630 0.50000000 1.0 0.00000000 0.27777778 0.50000000 1.0 0.00000000 0.25925926 0.50000000 1.0 0.00000000 0.24074074 0.50000000 1.0 0.00000000 0.22222222 0.50000000 1.0 0.00000000 0.20370370 0.50000000 1.0 0.00000000 0.18518519 0.50000000 1.0 0.00000000 0.16666667 0.50000000 1.0 0.00000000 0.14814815 0.50000000 1.0 0.00000000 0.12962963 0.50000000 1.0 0.00000000 0.11111111 0.50000000 1.0 0.00000000 0.09259259 0.50000000 1.0 0.00000000 0.07407407 0.50000000 1.0 0.00000000 0.05555556 0.50000000 1.0 0.00000000 0.03703704 0.50000000 1.0 0.00000000 0.01851852 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