! Pwscf input file created with ciftopw.py ! Compound: YB2Os &control calculation = 'bands' prefix = 'YB2Os' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 10.0136580157110000 celldm(2) = 1.1143612002264578 celldm(3) = 1.2060766182298546 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 16 ntyp = 3 ecutwfc = 55.00000000 ecutrho = 325.00000000 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 Os 190.2300 Os.rel-pbe-spn-rrkjus_psl.1.0.0.UPF B 10.8110 B.rel-pbe-n-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 340 0.00000000 0.00000000 0.00000000 1.0 0.01666667 0.00000000 0.00000000 1.0 0.03333333 0.00000000 0.00000000 1.0 0.05000000 0.00000000 0.00000000 1.0 0.06666667 0.00000000 0.00000000 1.0 0.08333333 0.00000000 0.00000000 1.0 0.10000000 0.00000000 0.00000000 1.0 0.11666667 0.00000000 0.00000000 1.0 0.13333333 0.00000000 0.00000000 1.0 0.15000000 0.00000000 0.00000000 1.0 0.16666667 0.00000000 0.00000000 1.0 0.18333333 0.00000000 0.00000000 1.0 0.20000000 0.00000000 0.00000000 1.0 0.21666667 0.00000000 0.00000000 1.0 0.23333333 0.00000000 0.00000000 1.0 0.25000000 0.00000000 0.00000000 1.0 0.26666667 0.00000000 0.00000000 1.0 0.28333333 0.00000000 0.00000000 1.0 0.30000000 0.00000000 0.00000000 1.0 0.31666667 0.00000000 0.00000000 1.0 0.33333333 0.00000000 0.00000000 1.0 0.35000000 0.00000000 0.00000000 1.0 0.36666667 0.00000000 0.00000000 1.0 0.38333333 0.00000000 0.00000000 1.0 0.40000000 0.00000000 0.00000000 1.0 0.41666667 0.00000000 0.00000000 1.0 0.43333333 0.00000000 0.00000000 1.0 0.45000000 0.00000000 0.00000000 1.0 0.46666667 0.00000000 0.00000000 1.0 0.48333333 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 0.48333333 0.50000000 0.00000000 1.0 0.46666667 0.50000000 0.00000000 1.0 0.45000000 0.50000000 0.00000000 1.0 0.43333333 0.50000000 0.00000000 1.0 0.41666667 0.50000000 0.00000000 1.0 0.40000000 0.50000000 0.00000000 1.0 0.38333333 0.50000000 0.00000000 1.0 0.36666667 0.50000000 0.00000000 1.0 0.35000000 0.50000000 0.00000000 1.0 0.33333333 0.50000000 0.00000000 1.0 0.31666667 0.50000000 0.00000000 1.0 0.30000000 0.50000000 0.00000000 1.0 0.28333333 0.50000000 0.00000000 1.0 0.26666667 0.50000000 0.00000000 1.0 0.25000000 0.50000000 0.00000000 1.0 0.23333333 0.50000000 0.00000000 1.0 0.21666667 0.50000000 0.00000000 1.0 0.20000000 0.50000000 0.00000000 1.0 0.18333333 0.50000000 0.00000000 1.0 0.16666667 0.50000000 0.00000000 1.0 0.15000000 0.50000000 0.00000000 1.0 0.13333333 0.50000000 0.00000000 1.0 0.11666667 0.50000000 0.00000000 1.0 0.10000000 0.50000000 0.00000000 1.0 0.08333333 0.50000000 0.00000000 1.0 0.06666667 0.50000000 0.00000000 1.0 0.05000000 0.50000000 0.00000000 1.0 0.03333333 0.50000000 0.00000000 1.0 0.01666667 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 0.02000000 1.0 0.00000000 0.00000000 0.04000000 1.0 0.00000000 0.00000000 0.06000000 1.0 0.00000000 0.00000000 0.08000000 1.0 0.00000000 0.00000000 0.10000000 1.0 0.00000000 0.00000000 0.12000000 1.0 0.00000000 0.00000000 0.14000000 1.0 0.00000000 0.00000000 0.16000000 1.0 0.00000000 0.00000000 0.18000000 1.0 0.00000000 0.00000000 0.20000000 1.0 0.00000000 0.00000000 0.22000000 1.0 0.00000000 0.00000000 0.24000000 1.0 0.00000000 0.00000000 0.26000000 1.0 0.00000000 0.00000000 0.28000000 1.0 0.00000000 0.00000000 0.30000000 1.0 0.00000000 0.00000000 0.32000000 1.0 0.00000000 0.00000000 0.34000000 1.0 0.00000000 0.00000000 0.36000000 1.0 0.00000000 0.00000000 0.38000000 1.0 0.00000000 0.00000000 0.40000000 1.0 0.00000000 0.00000000 0.42000000 1.0 0.00000000 0.00000000 0.44000000 1.0 0.00000000 0.00000000 0.46000000 1.0 0.00000000 0.00000000 0.48000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.01666667 0.00000000 0.50000000 1.0 0.03333333 0.00000000 0.50000000 1.0 0.05000000 0.00000000 0.50000000 1.0 0.06666667 0.00000000 0.50000000 1.0 0.08333333 -0.00000000 0.50000000 1.0 0.10000000 -0.00000000 0.50000000 1.0 0.11666667 0.00000000 0.50000000 1.0 0.13333333 -0.00000000 0.50000000 1.0 0.15000000 -0.00000000 0.50000000 1.0 0.16666667 0.00000000 0.50000000 1.0 0.18333333 -0.00000000 0.50000000 1.0 0.20000000 0.00000000 0.50000000 1.0 0.21666667 -0.00000000 0.50000000 1.0 0.23333333 -0.00000000 0.50000000 1.0 0.25000000 -0.00000000 0.50000000 1.0 0.26666667 0.00000000 0.50000000 1.0 0.28333333 -0.00000000 0.50000000 1.0 0.30000000 0.00000000 0.50000000 1.0 0.31666667 -0.00000000 0.50000000 1.0 0.33333333 -0.00000000 0.50000000 1.0 0.35000000 -0.00000000 0.50000000 1.0 0.36666667 -0.00000000 0.50000000 1.0 0.38333333 -0.00000000 0.50000000 1.0 0.40000000 -0.00000000 0.50000000 1.0 0.41666667 -0.00000000 0.50000000 1.0 0.43333333 -0.00000000 0.50000000 1.0 0.45000000 0.00000000 0.50000000 1.0 0.46666667 -0.00000000 0.50000000 1.0 0.48333333 -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 0.48333333 0.50000000 0.50000000 1.0 0.46666667 0.50000000 0.50000000 1.0 0.45000000 0.50000000 0.50000000 1.0 0.43333333 0.50000000 0.50000000 1.0 0.41666667 0.50000000 0.50000000 1.0 0.40000000 0.50000000 0.50000000 1.0 0.38333333 0.50000000 0.50000000 1.0 0.36666667 0.50000000 0.50000000 1.0 0.35000000 0.50000000 0.50000000 1.0 0.33333333 0.50000000 0.50000000 1.0 0.31666667 0.50000000 0.50000000 1.0 0.30000000 0.50000000 0.50000000 1.0 0.28333333 0.50000000 0.50000000 1.0 0.26666667 0.50000000 0.50000000 1.0 0.25000000 0.50000000 0.50000000 1.0 0.23333333 0.50000000 0.50000000 1.0 0.21666667 0.50000000 0.50000000 1.0 0.20000000 0.50000000 0.50000000 1.0 0.18333333 0.50000000 0.50000000 1.0 0.16666667 0.50000000 0.50000000 1.0 0.15000000 0.50000000 0.50000000 1.0 0.13333333 0.50000000 0.50000000 1.0 0.11666667 0.50000000 0.50000000 1.0 0.10000000 0.50000000 0.50000000 1.0 0.08333333 0.50000000 0.50000000 1.0 0.06666667 0.50000000 0.50000000 1.0 0.05000000 0.50000000 0.50000000 1.0 0.03333333 0.50000000 0.50000000 1.0 0.01666667 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 0.02000000 1.0 0.00000000 0.50000000 0.04000000 1.0 0.00000000 0.50000000 0.06000000 1.0 0.00000000 0.50000000 0.08000000 1.0 0.00000000 0.50000000 0.10000000 1.0 0.00000000 0.50000000 0.12000000 1.0 0.00000000 0.50000000 0.14000000 1.0 0.00000000 0.50000000 0.16000000 1.0 0.00000000 0.50000000 0.18000000 1.0 0.00000000 0.50000000 0.20000000 1.0 0.00000000 0.50000000 0.22000000 1.0 0.00000000 0.50000000 0.24000000 1.0 0.00000000 0.50000000 0.26000000 1.0 0.00000000 0.50000000 0.28000000 1.0 0.00000000 0.50000000 0.30000000 1.0 0.00000000 0.50000000 0.32000000 1.0 0.00000000 0.50000000 0.34000000 1.0 0.00000000 0.50000000 0.36000000 1.0 0.00000000 0.50000000 0.38000000 1.0 0.00000000 0.50000000 0.40000000 1.0 0.00000000 0.50000000 0.42000000 1.0 0.00000000 0.50000000 0.44000000 1.0 0.00000000 0.50000000 0.46000000 1.0 0.00000000 0.50000000 0.48000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 -0.00000000 0.48000000 1.0 0.50000000 0.00000000 0.46000000 1.0 0.50000000 0.00000000 0.44000000 1.0 0.50000000 0.00000000 0.42000000 1.0 0.50000000 0.00000000 0.40000000 1.0 0.50000000 0.00000000 0.38000000 1.0 0.50000000 0.00000000 0.36000000 1.0 0.50000000 0.00000000 0.34000000 1.0 0.50000000 0.00000000 0.32000000 1.0 0.50000000 0.00000000 0.30000000 1.0 0.50000000 0.00000000 0.28000000 1.0 0.50000000 0.00000000 0.26000000 1.0 0.50000000 0.00000000 0.24000000 1.0 0.50000000 0.00000000 0.22000000 1.0 0.50000000 0.00000000 0.20000000 1.0 0.50000000 0.00000000 0.18000000 1.0 0.50000000 0.00000000 0.16000000 1.0 0.50000000 0.00000000 0.14000000 1.0 0.50000000 0.00000000 0.12000000 1.0 0.50000000 0.00000000 0.10000000 1.0 0.50000000 0.00000000 0.08000000 1.0 0.50000000 0.00000000 0.06000000 1.0 0.50000000 0.00000000 0.04000000 1.0 0.50000000 0.00000000 0.02000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.02000000 1.0 0.50000000 0.50000000 0.04000000 1.0 0.50000000 0.50000000 0.06000000 1.0 0.50000000 0.50000000 0.08000000 1.0 0.50000000 0.50000000 0.10000000 1.0 0.50000000 0.50000000 0.12000000 1.0 0.50000000 0.50000000 0.14000000 1.0 0.50000000 0.50000000 0.16000000 1.0 0.50000000 0.50000000 0.18000000 1.0 0.50000000 0.50000000 0.20000000 1.0 0.50000000 0.50000000 0.22000000 1.0 0.50000000 0.50000000 0.24000000 1.0 0.50000000 0.50000000 0.26000000 1.0 0.50000000 0.50000000 0.28000000 1.0 0.50000000 0.50000000 0.30000000 1.0 0.50000000 0.50000000 0.32000000 1.0 0.50000000 0.50000000 0.34000000 1.0 0.50000000 0.50000000 0.36000000 1.0 0.50000000 0.50000000 0.38000000 1.0 0.50000000 0.50000000 0.40000000 1.0 0.50000000 0.50000000 0.42000000 1.0 0.50000000 0.50000000 0.44000000 1.0 0.50000000 0.50000000 0.46000000 1.0 0.50000000 0.50000000 0.48000000 1.0 0.50000000 0.50000000 0.50000000 1.0