! Pwscf input file created with ciftopw.py ! Compound: Zn &control calculation = 'bands' prefix = 'Zn' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 17.2708437821501732 celldm(2) = 1.0063024830450613 celldm(3) = 1.1608062275464031 celldm(4) = -0.3279401971853332 celldm(5) = -0.3140588660040216 celldm(6) = -0.0128800562764977 nat = 1 ntyp = 1 ecutwfc = 45.00000000 ecutrho = 276.00000000 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 Zn 65.4090 Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 153 0.00000000 -0.50000000 0.00000000 1.0 0.00000000 -0.47368421 0.00000000 1.0 0.00000000 -0.44736842 0.00000000 1.0 0.00000000 -0.42105263 0.00000000 1.0 0.00000000 -0.39473684 0.00000000 1.0 0.00000000 -0.36842105 0.00000000 1.0 0.00000000 -0.34210526 0.00000000 1.0 0.00000000 -0.31578947 0.00000000 1.0 0.00000000 -0.28947368 0.00000000 1.0 0.00000000 -0.26315789 0.00000000 1.0 0.00000000 -0.23684211 0.00000000 1.0 0.00000000 -0.21052632 0.00000000 1.0 0.00000000 -0.18421053 0.00000000 1.0 0.00000000 -0.15789474 0.00000000 1.0 0.00000000 -0.13157895 0.00000000 1.0 0.00000000 -0.10526316 0.00000000 1.0 0.00000000 -0.07894737 0.00000000 1.0 0.00000000 -0.05263158 0.00000000 1.0 0.00000000 -0.02631579 -0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.02631579 -0.00000000 -0.00000000 1.0 0.05263158 -0.00000000 -0.00000000 1.0 0.07894737 0.00000000 -0.00000000 1.0 0.10526316 -0.00000000 -0.00000000 1.0 0.13157895 0.00000000 0.00000000 1.0 0.15789474 0.00000000 -0.00000000 1.0 0.18421053 0.00000000 0.00000000 1.0 0.21052632 -0.00000000 -0.00000000 1.0 0.23684211 0.00000000 0.00000000 1.0 0.26315789 0.00000000 0.00000000 1.0 0.28947368 0.00000000 -0.00000000 1.0 0.31578947 0.00000000 -0.00000000 1.0 0.34210526 0.00000000 -0.00000000 1.0 0.36842105 0.00000000 0.00000000 1.0 0.39473684 0.00000000 0.00000000 1.0 0.42105263 -0.00000000 -0.00000000 1.0 0.44736842 -0.00000000 -0.00000000 1.0 0.47368421 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 -0.50000000 0.00000000 1.0 0.48000000 -0.48000000 0.00000000 1.0 0.46000000 -0.46000000 -0.00000000 1.0 0.44000000 -0.44000000 0.00000000 1.0 0.42000000 -0.42000000 -0.00000000 1.0 0.40000000 -0.40000000 -0.00000000 1.0 0.38000000 -0.38000000 -0.00000000 1.0 0.36000000 -0.36000000 -0.00000000 1.0 0.34000000 -0.34000000 -0.00000000 1.0 0.32000000 -0.32000000 -0.00000000 1.0 0.30000000 -0.30000000 -0.00000000 1.0 0.28000000 -0.28000000 -0.00000000 1.0 0.26000000 -0.26000000 -0.00000000 1.0 0.24000000 -0.24000000 0.00000000 1.0 0.22000000 -0.22000000 -0.00000000 1.0 0.20000000 -0.20000000 0.00000000 1.0 0.18000000 -0.18000000 -0.00000000 1.0 0.16000000 -0.16000000 -0.00000000 1.0 0.14000000 -0.14000000 0.00000000 1.0 0.12000000 -0.12000000 0.00000000 1.0 0.10000000 -0.10000000 -0.00000000 1.0 0.08000000 -0.08000000 0.00000000 1.0 0.06000000 -0.06000000 -0.00000000 1.0 0.04000000 -0.04000000 -0.00000000 1.0 0.02000000 -0.02000000 -0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.02380952 0.00000000 0.02380952 1.0 -0.04761905 0.00000000 0.04761905 1.0 -0.07142857 0.00000000 0.07142857 1.0 -0.09523810 0.00000000 0.09523810 1.0 -0.11904762 0.00000000 0.11904762 1.0 -0.14285714 0.00000000 0.14285714 1.0 -0.16666667 0.00000000 0.16666667 1.0 -0.19047619 0.00000000 0.19047619 1.0 -0.21428571 0.00000000 0.21428571 1.0 -0.23809524 0.00000000 0.23809524 1.0 -0.26190476 0.00000000 0.26190476 1.0 -0.28571429 0.00000000 0.28571429 1.0 -0.30952381 -0.00000000 0.30952381 1.0 -0.33333333 0.00000000 0.33333333 1.0 -0.35714286 0.00000000 0.35714286 1.0 -0.38095238 0.00000000 0.38095238 1.0 -0.40476190 0.00000000 0.40476190 1.0 -0.42857143 0.00000000 0.42857143 1.0 -0.45238095 0.00000000 0.45238095 1.0 -0.47619048 0.00000000 0.47619048 1.0 -0.50000000 0.00000000 0.50000000 1.0 -0.50000000 -0.50000000 0.50000000 1.0 -0.48000000 -0.48000000 0.48000000 1.0 -0.46000000 -0.46000000 0.46000000 1.0 -0.44000000 -0.44000000 0.44000000 1.0 -0.42000000 -0.42000000 0.42000000 1.0 -0.40000000 -0.40000000 0.40000000 1.0 -0.38000000 -0.38000000 0.38000000 1.0 -0.36000000 -0.36000000 0.36000000 1.0 -0.34000000 -0.34000000 0.34000000 1.0 -0.32000000 -0.32000000 0.32000000 1.0 -0.30000000 -0.30000000 0.30000000 1.0 -0.28000000 -0.28000000 0.28000000 1.0 -0.26000000 -0.26000000 0.26000000 1.0 -0.24000000 -0.24000000 0.24000000 1.0 -0.22000000 -0.22000000 0.22000000 1.0 -0.20000000 -0.20000000 0.20000000 1.0 -0.18000000 -0.18000000 0.18000000 1.0 -0.16000000 -0.16000000 0.16000000 1.0 -0.14000000 -0.14000000 0.14000000 1.0 -0.12000000 -0.12000000 0.12000000 1.0 -0.10000000 -0.10000000 0.10000000 1.0 -0.08000000 -0.08000000 0.08000000 1.0 -0.06000000 -0.06000000 0.06000000 1.0 -0.04000000 -0.04000000 0.04000000 1.0 -0.02000000 -0.02000000 0.02000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.02941176 1.0 0.00000000 0.00000000 0.05882353 1.0 0.00000000 0.00000000 0.08823529 1.0 0.00000000 0.00000000 0.11764706 1.0 0.00000000 0.00000000 0.14705882 1.0 0.00000000 0.00000000 0.17647059 1.0 0.00000000 0.00000000 0.20588235 1.0 0.00000000 0.00000000 0.23529412 1.0 0.00000000 0.00000000 0.26470588 1.0 0.00000000 0.00000000 0.29411765 1.0 0.00000000 0.00000000 0.32352941 1.0 0.00000000 0.00000000 0.35294118 1.0 0.00000000 0.00000000 0.38235294 1.0 0.00000000 0.00000000 0.41176471 1.0 0.00000000 0.00000000 0.44117647 1.0 0.00000000 0.00000000 0.47058824 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 -0.50000000 0.50000000 1.0 0.00000000 -0.47500000 0.47500000 1.0 0.00000000 -0.45000000 0.45000000 1.0 0.00000000 -0.42500000 0.42500000 1.0 0.00000000 -0.40000000 0.40000000 1.0 0.00000000 -0.37500000 0.37500000 1.0 0.00000000 -0.35000000 0.35000000 1.0 0.00000000 -0.32500000 0.32500000 1.0 0.00000000 -0.30000000 0.30000000 1.0 0.00000000 -0.27500000 0.27500000 1.0 0.00000000 -0.25000000 0.25000000 1.0 0.00000000 -0.22500000 0.22500000 1.0 0.00000000 -0.20000000 0.20000000 1.0 0.00000000 -0.17500000 0.17500000 1.0 0.00000000 -0.15000000 0.15000000 1.0 0.00000000 -0.12500000 0.12500000 1.0 0.00000000 -0.10000000 0.10000000 1.0 0.00000000 -0.07500000 0.07500000 1.0 0.00000000 -0.05000000 0.05000000 1.0 0.00000000 -0.02500000 0.02500000 1.0 0.00000000 0.00000000 0.00000000 1.0