! Pwscf input file created with ciftopw.py ! Compound: Na2AgSb &control calculation = 'bands' prefix = 'Na2AgSb' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 11.5257280794615902 celldm(2) = 1.0000000000000002 celldm(3) = 0.9465248580640312 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.1605112096665002 nat = 8 ntyp = 3 ecutwfc = 67.00000000 ecutrho = 324.00000000 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 Na 22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF Sb 121.7600 Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF Ag 107.8682 Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 320 0.00000000 0.00000000 0.00000000 1.0 0.01230985 0.01230985 0.00000000 1.0 0.02461969 0.02461969 0.00000000 1.0 0.03692954 0.03692954 0.00000000 1.0 0.04923938 0.04923938 0.00000000 1.0 0.06154923 0.06154923 0.00000000 1.0 0.07385908 0.07385908 0.00000000 1.0 0.08616892 0.08616892 0.00000000 1.0 0.09847877 0.09847877 0.00000000 1.0 0.11078861 0.11078861 0.00000000 1.0 0.12309846 0.12309846 0.00000000 1.0 0.13540831 0.13540831 0.00000000 1.0 0.14771815 0.14771815 0.00000000 1.0 0.16002800 0.16002800 0.00000000 1.0 0.17233784 0.17233784 0.00000000 1.0 0.18464769 0.18464769 0.00000000 1.0 0.19695754 0.19695754 0.00000000 1.0 0.20926738 0.20926738 0.00000000 1.0 0.22157723 0.22157723 0.00000000 1.0 0.23388707 0.23388707 0.00000000 1.0 0.24619692 0.24619692 0.00000000 1.0 0.25850677 0.25850677 0.00000000 1.0 0.27081661 0.27081661 0.00000000 1.0 0.28312646 0.28312646 0.00000000 1.0 0.29543630 0.29543630 0.00000000 1.0 0.30774615 0.30774615 0.00000000 1.0 0.32005600 0.32005600 0.00000000 1.0 0.33236584 0.33236584 0.00000000 1.0 0.34467569 0.34467569 0.00000000 1.0 0.35698553 0.35698553 0.00000000 1.0 0.36929538 0.36929538 0.00000000 1.0 0.38160523 0.38160523 0.00000000 1.0 0.39391507 0.39391507 0.00000000 1.0 0.40622492 0.40622492 0.00000000 1.0 0.41853476 0.41853476 0.00000000 1.0 0.43084461 0.43084461 0.00000000 1.0 0.43084461 0.43084461 0.00000000 1.0 0.41211224 0.43385137 0.00000000 1.0 0.39337986 0.43685812 0.00000000 1.0 0.37464749 0.43986488 0.00000000 1.0 0.35591511 0.44287163 0.00000000 1.0 0.33718274 0.44587839 0.00000000 1.0 0.31845036 0.44888515 0.00000000 1.0 0.29971799 0.45189190 0.00000000 1.0 0.28098562 0.45489866 0.00000000 1.0 0.26225324 0.45790542 0.00000000 1.0 0.24352087 0.46091217 0.00000000 1.0 0.22478849 0.46391893 0.00000000 1.0 0.20605612 0.46692568 0.00000000 1.0 0.18732374 0.46993244 0.00000000 1.0 0.16859137 0.47293920 0.00000000 1.0 0.14985899 0.47594595 0.00000000 1.0 0.13112662 0.47895271 0.00000000 1.0 0.11239425 0.48195946 0.00000000 1.0 0.09366187 0.48496622 0.00000000 1.0 0.07492950 0.48797298 0.00000000 1.0 0.05619712 0.49097973 0.00000000 1.0 0.03746475 0.49398649 0.00000000 1.0 0.01873237 0.49699324 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.01785714 1.0 0.00000000 0.50000000 0.03571429 1.0 0.00000000 0.50000000 0.05357143 1.0 0.00000000 0.50000000 0.07142857 1.0 0.00000000 0.50000000 0.08928571 1.0 0.00000000 0.50000000 0.10714286 1.0 0.00000000 0.50000000 0.12500000 1.0 0.00000000 0.50000000 0.14285714 1.0 0.00000000 0.50000000 0.16071429 1.0 0.00000000 0.50000000 0.17857143 1.0 0.00000000 0.50000000 0.19642857 1.0 0.00000000 0.50000000 0.21428571 1.0 0.00000000 0.50000000 0.23214286 1.0 0.00000000 0.50000000 0.25000000 1.0 0.00000000 0.50000000 0.26785714 1.0 0.00000000 0.50000000 0.28571429 1.0 0.00000000 0.50000000 0.30357143 1.0 0.00000000 0.50000000 0.32142857 1.0 0.00000000 0.50000000 0.33928571 1.0 0.00000000 0.50000000 0.35714286 1.0 0.00000000 0.50000000 0.37500000 1.0 0.00000000 0.50000000 0.39285714 1.0 0.00000000 0.50000000 0.41071429 1.0 0.00000000 0.50000000 0.42857143 1.0 0.00000000 0.50000000 0.44642857 1.0 0.00000000 0.50000000 0.46428571 1.0 0.00000000 0.50000000 0.48214286 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.01873237 0.49699324 0.50000000 1.0 0.03746475 0.49398649 0.50000000 1.0 0.05619712 0.49097973 0.50000000 1.0 0.07492950 0.48797298 0.50000000 1.0 0.09366187 0.48496622 0.50000000 1.0 0.11239425 0.48195946 0.50000000 1.0 0.13112662 0.47895271 0.50000000 1.0 0.14985899 0.47594595 0.50000000 1.0 0.16859137 0.47293920 0.50000000 1.0 0.18732374 0.46993244 0.50000000 1.0 0.20605612 0.46692568 0.50000000 1.0 0.22478849 0.46391893 0.50000000 1.0 0.24352087 0.46091217 0.50000000 1.0 0.26225324 0.45790542 0.50000000 1.0 0.28098562 0.45489866 0.50000000 1.0 0.29971799 0.45189190 0.50000000 1.0 0.31845036 0.44888515 0.50000000 1.0 0.33718274 0.44587839 0.50000000 1.0 0.35591511 0.44287163 0.50000000 1.0 0.37464749 0.43986488 0.50000000 1.0 0.39337986 0.43685812 0.50000000 1.0 0.41211224 0.43385137 0.50000000 1.0 0.43084461 0.43084461 0.50000000 1.0 0.43084461 0.43084461 0.50000000 1.0 0.41853476 0.41853476 0.50000000 1.0 0.40622492 0.40622492 0.50000000 1.0 0.39391507 0.39391507 0.50000000 1.0 0.38160523 0.38160523 0.50000000 1.0 0.36929538 0.36929538 0.50000000 1.0 0.35698553 0.35698553 0.50000000 1.0 0.34467569 0.34467569 0.50000000 1.0 0.33236584 0.33236584 0.50000000 1.0 0.32005600 0.32005600 0.50000000 1.0 0.30774615 0.30774615 0.50000000 1.0 0.29543630 0.29543630 0.50000000 1.0 0.28312646 0.28312646 0.50000000 1.0 0.27081661 0.27081661 0.50000000 1.0 0.25850677 0.25850677 0.50000000 1.0 0.24619692 0.24619692 0.50000000 1.0 0.23388707 0.23388707 0.50000000 1.0 0.22157723 0.22157723 0.50000000 1.0 0.20926738 0.20926738 0.50000000 1.0 0.19695754 0.19695754 0.50000000 1.0 0.18464769 0.18464769 0.50000000 1.0 0.17233784 0.17233784 0.50000000 1.0 0.16002800 0.16002800 0.50000000 1.0 0.14771815 0.14771815 0.50000000 1.0 0.13540831 0.13540831 0.50000000 1.0 0.12309846 0.12309846 0.50000000 1.0 0.11078861 0.11078861 0.50000000 1.0 0.09847877 0.09847877 0.50000000 1.0 0.08616892 0.08616892 0.50000000 1.0 0.07385908 0.07385908 0.50000000 1.0 0.06154923 0.06154923 0.50000000 1.0 0.04923938 0.04923938 0.50000000 1.0 0.03692954 0.03692954 0.50000000 1.0 0.02461969 0.02461969 0.50000000 1.0 0.01230985 0.01230985 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 -0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.48214286 1.0 0.00000000 -0.00000000 0.46428571 1.0 -0.00000000 0.00000000 0.44642857 1.0 -0.00000000 0.00000000 0.42857143 1.0 0.00000000 -0.00000000 0.41071429 1.0 0.00000000 0.00000000 0.39285714 1.0 0.00000000 -0.00000000 0.37500000 1.0 0.00000000 0.00000000 0.35714286 1.0 0.00000000 -0.00000000 0.33928571 1.0 0.00000000 -0.00000000 0.32142857 1.0 0.00000000 0.00000000 0.30357143 1.0 0.00000000 0.00000000 0.28571429 1.0 0.00000000 0.00000000 0.26785714 1.0 0.00000000 -0.00000000 0.25000000 1.0 0.00000000 -0.00000000 0.23214286 1.0 -0.00000000 0.00000000 0.21428571 1.0 0.00000000 -0.00000000 0.19642857 1.0 -0.00000000 -0.00000000 0.17857143 1.0 0.00000000 -0.00000000 0.16071429 1.0 0.00000000 -0.00000000 0.14285714 1.0 -0.00000000 0.00000000 0.12500000 1.0 -0.00000000 0.00000000 0.10714286 1.0 0.00000000 0.00000000 0.08928571 1.0 -0.00000000 0.00000000 0.07142857 1.0 0.00000000 -0.00000000 0.05357143 1.0 0.00000000 0.00000000 0.03571429 1.0 0.00000000 -0.00000000 0.01785714 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.01470588 0.01470588 0.00000000 1.0 -0.02941176 0.02941176 0.00000000 1.0 -0.04411765 0.04411765 0.00000000 1.0 -0.05882353 0.05882353 0.00000000 1.0 -0.07352941 0.07352941 0.00000000 1.0 -0.08823529 0.08823529 0.00000000 1.0 -0.10294118 0.10294118 0.00000000 1.0 -0.11764706 0.11764706 0.00000000 1.0 -0.13235294 0.13235294 0.00000000 1.0 -0.14705882 0.14705882 0.00000000 1.0 -0.16176471 0.16176471 0.00000000 1.0 -0.17647059 0.17647059 0.00000000 1.0 -0.19117647 0.19117647 0.00000000 1.0 -0.20588235 0.20588235 0.00000000 1.0 -0.22058824 0.22058824 0.00000000 1.0 -0.23529412 0.23529412 0.00000000 1.0 -0.25000000 0.25000000 0.00000000 1.0 -0.26470588 0.26470588 0.00000000 1.0 -0.27941176 0.27941176 0.00000000 1.0 -0.29411765 0.29411765 0.00000000 1.0 -0.30882353 0.30882353 0.00000000 1.0 -0.32352941 0.32352941 0.00000000 1.0 -0.33823529 0.33823529 0.00000000 1.0 -0.35294118 0.35294118 0.00000000 1.0 -0.36764706 0.36764706 0.00000000 1.0 -0.38235294 0.38235294 0.00000000 1.0 -0.39705882 0.39705882 0.00000000 1.0 -0.41176471 0.41176471 0.00000000 1.0 -0.42647059 0.42647059 0.00000000 1.0 -0.44117647 0.44117647 0.00000000 1.0 -0.45588235 0.45588235 0.00000000 1.0 -0.47058824 0.47058824 0.00000000 1.0 -0.48529412 0.48529412 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.48847410 0.51152590 0.00000000 1.0 -0.47694820 0.52305180 0.00000000 1.0 -0.46542231 0.53457769 0.00000000 1.0 -0.45389641 0.54610359 0.00000000 1.0 -0.44237051 0.55762949 0.00000000 1.0 -0.43084461 0.56915539 0.00000000 1.0 -0.43084461 0.56915539 0.00000000 1.0 -0.43084461 0.56915539 0.01785714 1.0 -0.43084461 0.56915539 0.03571429 1.0 -0.43084461 0.56915539 0.05357143 1.0 -0.43084461 0.56915539 0.07142857 1.0 -0.43084461 0.56915539 0.08928571 1.0 -0.43084461 0.56915539 0.10714286 1.0 -0.43084461 0.56915539 0.12500000 1.0 -0.43084461 0.56915539 0.14285714 1.0 -0.43084461 0.56915539 0.16071429 1.0 -0.43084461 0.56915539 0.17857143 1.0 -0.43084461 0.56915539 0.19642857 1.0 -0.43084461 0.56915539 0.21428571 1.0 -0.43084461 0.56915539 0.23214286 1.0 -0.43084461 0.56915539 0.25000000 1.0 -0.43084461 0.56915539 0.26785714 1.0 -0.43084461 0.56915539 0.28571429 1.0 -0.43084461 0.56915539 0.30357143 1.0 -0.43084461 0.56915539 0.32142857 1.0 -0.43084461 0.56915539 0.33928571 1.0 -0.43084461 0.56915539 0.35714286 1.0 -0.43084461 0.56915539 0.37500000 1.0 -0.43084461 0.56915539 0.39285714 1.0 -0.43084461 0.56915539 0.41071429 1.0 -0.43084461 0.56915539 0.42857143 1.0 -0.43084461 0.56915539 0.44642857 1.0 -0.43084461 0.56915539 0.46428571 1.0 -0.43084461 0.56915539 0.48214286 1.0 -0.43084461 0.56915539 0.50000000 1.0 -0.43084461 0.56915539 0.50000000 1.0 -0.44237051 0.55762949 0.50000000 1.0 -0.45389641 0.54610359 0.50000000 1.0 -0.46542231 0.53457769 0.50000000 1.0 -0.47694820 0.52305180 0.50000000 1.0 -0.48847410 0.51152590 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.48214286 1.0 -0.50000000 0.50000000 0.46428571 1.0 -0.50000000 0.50000000 0.44642857 1.0 -0.50000000 0.50000000 0.42857143 1.0 -0.50000000 0.50000000 0.41071429 1.0 -0.50000000 0.50000000 0.39285714 1.0 -0.50000000 0.50000000 0.37500000 1.0 -0.50000000 0.50000000 0.35714286 1.0 -0.50000000 0.50000000 0.33928571 1.0 -0.50000000 0.50000000 0.32142857 1.0 -0.50000000 0.50000000 0.30357143 1.0 -0.50000000 0.50000000 0.28571429 1.0 -0.50000000 0.50000000 0.26785714 1.0 -0.50000000 0.50000000 0.25000000 1.0 -0.50000000 0.50000000 0.23214286 1.0 -0.50000000 0.50000000 0.21428571 1.0 -0.50000000 0.50000000 0.19642857 1.0 -0.50000000 0.50000000 0.17857143 1.0 -0.50000000 0.50000000 0.16071429 1.0 -0.50000000 0.50000000 0.14285714 1.0 -0.50000000 0.50000000 0.12500000 1.0 -0.50000000 0.50000000 0.10714286 1.0 -0.50000000 0.50000000 0.08928571 1.0 -0.50000000 0.50000000 0.07142857 1.0 -0.50000000 0.50000000 0.05357143 1.0 -0.50000000 0.50000000 0.03571429 1.0 -0.50000000 0.50000000 0.01785714 1.0 -0.50000000 0.50000000 0.00000000 1.0 0.00000000 -0.00000000 0.50000000 1.0 -0.01470588 0.01470588 0.50000000 1.0 -0.02941176 0.02941176 0.50000000 1.0 -0.04411765 0.04411765 0.50000000 1.0 -0.05882353 0.05882353 0.50000000 1.0 -0.07352941 0.07352941 0.50000000 1.0 -0.08823529 0.08823529 0.50000000 1.0 -0.10294118 0.10294118 0.50000000 1.0 -0.11764706 0.11764706 0.50000000 1.0 -0.13235294 0.13235294 0.50000000 1.0 -0.14705882 0.14705882 0.50000000 1.0 -0.16176471 0.16176471 0.50000000 1.0 -0.17647059 0.17647059 0.50000000 1.0 -0.19117647 0.19117647 0.50000000 1.0 -0.20588235 0.20588235 0.50000000 1.0 -0.22058824 0.22058824 0.50000000 1.0 -0.23529412 0.23529412 0.50000000 1.0 -0.25000000 0.25000000 0.50000000 1.0 -0.26470588 0.26470588 0.50000000 1.0 -0.27941176 0.27941176 0.50000000 1.0 -0.29411765 0.29411765 0.50000000 1.0 -0.30882353 0.30882353 0.50000000 1.0 -0.32352941 0.32352941 0.50000000 1.0 -0.33823529 0.33823529 0.50000000 1.0 -0.35294118 0.35294118 0.50000000 1.0 -0.36764706 0.36764706 0.50000000 1.0 -0.38235294 0.38235294 0.50000000 1.0 -0.39705882 0.39705882 0.50000000 1.0 -0.41176471 0.41176471 0.50000000 1.0 -0.42647059 0.42647059 0.50000000 1.0 -0.44117647 0.44117647 0.50000000 1.0 -0.45588235 0.45588235 0.50000000 1.0 -0.47058824 0.47058824 0.50000000 1.0 -0.48529412 0.48529412 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0