! Pwscf input file created with ciftopw.py ! Compound: Na2ZnGe &control calculation = 'bands' prefix = 'Na2ZnGe' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 11.1617866860770079 celldm(2) = 1.0000000000000002 celldm(3) = 0.9312013548568269 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = -0.2109861305764516 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 Ge 72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF Na 22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF Zn 65.4090 Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 328 0.00000000 0.00000000 0.00000000 1.0 0.01179676 0.01179676 0.00000000 1.0 0.02359352 0.02359352 0.00000000 1.0 0.03539028 0.03539028 0.00000000 1.0 0.04718705 0.04718705 0.00000000 1.0 0.05898381 0.05898381 0.00000000 1.0 0.07078057 0.07078057 0.00000000 1.0 0.08257733 0.08257733 0.00000000 1.0 0.09437409 0.09437409 0.00000000 1.0 0.10617085 0.10617085 0.00000000 1.0 0.11796761 0.11796761 0.00000000 1.0 0.12976437 0.12976437 0.00000000 1.0 0.14156114 0.14156114 0.00000000 1.0 0.15335790 0.15335790 0.00000000 1.0 0.16515466 0.16515466 0.00000000 1.0 0.17695142 0.17695142 0.00000000 1.0 0.18874818 0.18874818 0.00000000 1.0 0.20054494 0.20054494 0.00000000 1.0 0.21234170 0.21234170 0.00000000 1.0 0.22413846 0.22413846 0.00000000 1.0 0.23593523 0.23593523 0.00000000 1.0 0.24773199 0.24773199 0.00000000 1.0 0.25952875 0.25952875 0.00000000 1.0 0.27132551 0.27132551 0.00000000 1.0 0.28312227 0.28312227 0.00000000 1.0 0.29491903 0.29491903 0.00000000 1.0 0.30671579 0.30671579 0.00000000 1.0 0.31851255 0.31851255 0.00000000 1.0 0.33030932 0.33030932 0.00000000 1.0 0.34210608 0.34210608 0.00000000 1.0 0.35390284 0.35390284 0.00000000 1.0 0.36569960 0.36569960 0.00000000 1.0 0.37749636 0.37749636 0.00000000 1.0 0.38929312 0.38929312 0.00000000 1.0 0.40108988 0.40108988 0.00000000 1.0 0.41288664 0.41288664 0.00000000 1.0 0.41288664 0.41288664 0.00000000 1.0 0.39411907 0.41684634 0.00000000 1.0 0.37535150 0.42080604 0.00000000 1.0 0.35658392 0.42476574 0.00000000 1.0 0.33781635 0.42872544 0.00000000 1.0 0.31904877 0.43268513 0.00000000 1.0 0.30028120 0.43664483 0.00000000 1.0 0.28151362 0.44060453 0.00000000 1.0 0.26274605 0.44456423 0.00000000 1.0 0.24397847 0.44852393 0.00000000 1.0 0.22521090 0.45248362 0.00000000 1.0 0.20644332 0.45644332 0.00000000 1.0 0.18767575 0.46040302 0.00000000 1.0 0.16890817 0.46436272 0.00000000 1.0 0.15014060 0.46832242 0.00000000 1.0 0.13137302 0.47228211 0.00000000 1.0 0.11260545 0.47624181 0.00000000 1.0 0.09383787 0.48020151 0.00000000 1.0 0.07507030 0.48416121 0.00000000 1.0 0.05630272 0.48812091 0.00000000 1.0 0.03753515 0.49208060 0.00000000 1.0 0.01876757 0.49604030 0.00000000 1.0 -0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.01724138 1.0 -0.00000000 0.50000000 0.03448276 1.0 -0.00000000 0.50000000 0.05172414 1.0 -0.00000000 0.50000000 0.06896552 1.0 -0.00000000 0.50000000 0.08620690 1.0 -0.00000000 0.50000000 0.10344828 1.0 -0.00000000 0.50000000 0.12068966 1.0 -0.00000000 0.50000000 0.13793103 1.0 -0.00000000 0.50000000 0.15517241 1.0 -0.00000000 0.50000000 0.17241379 1.0 -0.00000000 0.50000000 0.18965517 1.0 -0.00000000 0.50000000 0.20689655 1.0 -0.00000000 0.50000000 0.22413793 1.0 -0.00000000 0.50000000 0.24137931 1.0 -0.00000000 0.50000000 0.25862069 1.0 -0.00000000 0.50000000 0.27586207 1.0 -0.00000000 0.50000000 0.29310345 1.0 -0.00000000 0.50000000 0.31034483 1.0 -0.00000000 0.50000000 0.32758621 1.0 -0.00000000 0.50000000 0.34482759 1.0 -0.00000000 0.50000000 0.36206897 1.0 -0.00000000 0.50000000 0.37931034 1.0 -0.00000000 0.50000000 0.39655172 1.0 -0.00000000 0.50000000 0.41379310 1.0 -0.00000000 0.50000000 0.43103448 1.0 -0.00000000 0.50000000 0.44827586 1.0 -0.00000000 0.50000000 0.46551724 1.0 -0.00000000 0.50000000 0.48275862 1.0 -0.00000000 0.50000000 0.50000000 1.0 -0.00000000 0.50000000 0.50000000 1.0 0.01876757 0.49604030 0.50000000 1.0 0.03753515 0.49208060 0.50000000 1.0 0.05630272 0.48812091 0.50000000 1.0 0.07507030 0.48416121 0.50000000 1.0 0.09383787 0.48020151 0.50000000 1.0 0.11260545 0.47624181 0.50000000 1.0 0.13137302 0.47228211 0.50000000 1.0 0.15014060 0.46832242 0.50000000 1.0 0.16890817 0.46436272 0.50000000 1.0 0.18767575 0.46040302 0.50000000 1.0 0.20644332 0.45644332 0.50000000 1.0 0.22521090 0.45248362 0.50000000 1.0 0.24397847 0.44852393 0.50000000 1.0 0.26274605 0.44456423 0.50000000 1.0 0.28151362 0.44060453 0.50000000 1.0 0.30028120 0.43664483 0.50000000 1.0 0.31904877 0.43268513 0.50000000 1.0 0.33781635 0.42872544 0.50000000 1.0 0.35658392 0.42476574 0.50000000 1.0 0.37535150 0.42080604 0.50000000 1.0 0.39411907 0.41684634 0.50000000 1.0 0.41288664 0.41288664 0.50000000 1.0 0.41288664 0.41288664 0.50000000 1.0 0.40108988 0.40108988 0.50000000 1.0 0.38929312 0.38929312 0.50000000 1.0 0.37749636 0.37749636 0.50000000 1.0 0.36569960 0.36569960 0.50000000 1.0 0.35390284 0.35390284 0.50000000 1.0 0.34210608 0.34210608 0.50000000 1.0 0.33030932 0.33030932 0.50000000 1.0 0.31851255 0.31851255 0.50000000 1.0 0.30671579 0.30671579 0.50000000 1.0 0.29491903 0.29491903 0.50000000 1.0 0.28312227 0.28312227 0.50000000 1.0 0.27132551 0.27132551 0.50000000 1.0 0.25952875 0.25952875 0.50000000 1.0 0.24773199 0.24773199 0.50000000 1.0 0.23593523 0.23593523 0.50000000 1.0 0.22413846 0.22413846 0.50000000 1.0 0.21234170 0.21234170 0.50000000 1.0 0.20054494 0.20054494 0.50000000 1.0 0.18874818 0.18874818 0.50000000 1.0 0.17695142 0.17695142 0.50000000 1.0 0.16515466 0.16515466 0.50000000 1.0 0.15335790 0.15335790 0.50000000 1.0 0.14156114 0.14156114 0.50000000 1.0 0.12976437 0.12976437 0.50000000 1.0 0.11796761 0.11796761 0.50000000 1.0 0.10617085 0.10617085 0.50000000 1.0 0.09437409 0.09437409 0.50000000 1.0 0.08257733 0.08257733 0.50000000 1.0 0.07078057 0.07078057 0.50000000 1.0 0.05898381 0.05898381 0.50000000 1.0 0.04718705 0.04718705 0.50000000 1.0 0.03539028 0.03539028 0.50000000 1.0 0.02359352 0.02359352 0.50000000 1.0 0.01179676 0.01179676 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.48275862 1.0 0.00000000 0.00000000 0.46551724 1.0 -0.00000000 0.00000000 0.44827586 1.0 0.00000000 0.00000000 0.43103448 1.0 0.00000000 0.00000000 0.41379310 1.0 0.00000000 0.00000000 0.39655172 1.0 -0.00000000 0.00000000 0.37931034 1.0 0.00000000 0.00000000 0.36206897 1.0 -0.00000000 0.00000000 0.34482759 1.0 -0.00000000 0.00000000 0.32758621 1.0 0.00000000 0.00000000 0.31034483 1.0 -0.00000000 0.00000000 0.29310345 1.0 -0.00000000 0.00000000 0.27586207 1.0 0.00000000 0.00000000 0.25862069 1.0 0.00000000 0.00000000 0.24137931 1.0 0.00000000 0.00000000 0.22413793 1.0 -0.00000000 0.00000000 0.20689655 1.0 0.00000000 0.00000000 0.18965517 1.0 0.00000000 0.00000000 0.17241379 1.0 0.00000000 0.00000000 0.15517241 1.0 0.00000000 0.00000000 0.13793103 1.0 0.00000000 0.00000000 0.12068966 1.0 -0.00000000 0.00000000 0.10344828 1.0 -0.00000000 0.00000000 0.08620690 1.0 0.00000000 0.00000000 0.06896552 1.0 -0.00000000 0.00000000 0.05172414 1.0 0.00000000 -0.00000000 0.03448276 1.0 0.00000000 -0.00000000 0.01724138 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.01428571 0.01428571 0.00000000 1.0 -0.02857143 0.02857143 0.00000000 1.0 -0.04285714 0.04285714 0.00000000 1.0 -0.05714286 0.05714286 0.00000000 1.0 -0.07142857 0.07142857 0.00000000 1.0 -0.08571429 0.08571429 0.00000000 1.0 -0.10000000 0.10000000 0.00000000 1.0 -0.11428571 0.11428571 0.00000000 1.0 -0.12857143 0.12857143 0.00000000 1.0 -0.14285714 0.14285714 0.00000000 1.0 -0.15714286 0.15714286 0.00000000 1.0 -0.17142857 0.17142857 0.00000000 1.0 -0.18571429 0.18571429 0.00000000 1.0 -0.20000000 0.20000000 0.00000000 1.0 -0.21428571 0.21428571 0.00000000 1.0 -0.22857143 0.22857143 0.00000000 1.0 -0.24285714 0.24285714 0.00000000 1.0 -0.25714286 0.25714286 0.00000000 1.0 -0.27142857 0.27142857 0.00000000 1.0 -0.28571429 0.28571429 0.00000000 1.0 -0.30000000 0.30000000 0.00000000 1.0 -0.31428571 0.31428571 0.00000000 1.0 -0.32857143 0.32857143 0.00000000 1.0 -0.34285714 0.34285714 0.00000000 1.0 -0.35714286 0.35714286 0.00000000 1.0 -0.37142857 0.37142857 0.00000000 1.0 -0.38571429 0.38571429 0.00000000 1.0 -0.40000000 0.40000000 0.00000000 1.0 -0.41428571 0.41428571 0.00000000 1.0 -0.42857143 0.42857143 0.00000000 1.0 -0.44285714 0.44285714 0.00000000 1.0 -0.45714286 0.45714286 0.00000000 1.0 -0.47142857 0.47142857 0.00000000 1.0 -0.48571429 0.48571429 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.50000000 0.50000000 0.00000000 1.0 -0.48911083 0.51088917 0.00000000 1.0 -0.47822166 0.52177834 0.00000000 1.0 -0.46733249 0.53266751 0.00000000 1.0 -0.45644332 0.54355668 0.00000000 1.0 -0.44555415 0.55444585 0.00000000 1.0 -0.43466498 0.56533502 0.00000000 1.0 -0.42377581 0.57622419 0.00000000 1.0 -0.41288664 0.58711336 0.00000000 1.0 -0.41288664 0.58711336 0.00000000 1.0 -0.41288664 0.58711336 0.01724138 1.0 -0.41288664 0.58711336 0.03448276 1.0 -0.41288664 0.58711336 0.05172414 1.0 -0.41288664 0.58711336 0.06896552 1.0 -0.41288664 0.58711336 0.08620690 1.0 -0.41288664 0.58711336 0.10344828 1.0 -0.41288664 0.58711336 0.12068966 1.0 -0.41288664 0.58711336 0.13793103 1.0 -0.41288664 0.58711336 0.15517241 1.0 -0.41288664 0.58711336 0.17241379 1.0 -0.41288664 0.58711336 0.18965517 1.0 -0.41288664 0.58711336 0.20689655 1.0 -0.41288664 0.58711336 0.22413793 1.0 -0.41288664 0.58711336 0.24137931 1.0 -0.41288664 0.58711336 0.25862069 1.0 -0.41288664 0.58711336 0.27586207 1.0 -0.41288664 0.58711336 0.29310345 1.0 -0.41288664 0.58711336 0.31034483 1.0 -0.41288664 0.58711336 0.32758621 1.0 -0.41288664 0.58711336 0.34482759 1.0 -0.41288664 0.58711336 0.36206897 1.0 -0.41288664 0.58711336 0.37931034 1.0 -0.41288664 0.58711336 0.39655172 1.0 -0.41288664 0.58711336 0.41379310 1.0 -0.41288664 0.58711336 0.43103448 1.0 -0.41288664 0.58711336 0.44827586 1.0 -0.41288664 0.58711336 0.46551724 1.0 -0.41288664 0.58711336 0.48275862 1.0 -0.41288664 0.58711336 0.50000000 1.0 -0.41288664 0.58711336 0.50000000 1.0 -0.42377581 0.57622419 0.50000000 1.0 -0.43466498 0.56533502 0.50000000 1.0 -0.44555415 0.55444585 0.50000000 1.0 -0.45644332 0.54355668 0.50000000 1.0 -0.46733249 0.53266751 0.50000000 1.0 -0.47822166 0.52177834 0.50000000 1.0 -0.48911083 0.51088917 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.48275862 1.0 -0.50000000 0.50000000 0.46551724 1.0 -0.50000000 0.50000000 0.44827586 1.0 -0.50000000 0.50000000 0.43103448 1.0 -0.50000000 0.50000000 0.41379310 1.0 -0.50000000 0.50000000 0.39655172 1.0 -0.50000000 0.50000000 0.37931034 1.0 -0.50000000 0.50000000 0.36206897 1.0 -0.50000000 0.50000000 0.34482759 1.0 -0.50000000 0.50000000 0.32758621 1.0 -0.50000000 0.50000000 0.31034483 1.0 -0.50000000 0.50000000 0.29310345 1.0 -0.50000000 0.50000000 0.27586207 1.0 -0.50000000 0.50000000 0.25862069 1.0 -0.50000000 0.50000000 0.24137931 1.0 -0.50000000 0.50000000 0.22413793 1.0 -0.50000000 0.50000000 0.20689655 1.0 -0.50000000 0.50000000 0.18965517 1.0 -0.50000000 0.50000000 0.17241379 1.0 -0.50000000 0.50000000 0.15517241 1.0 -0.50000000 0.50000000 0.13793103 1.0 -0.50000000 0.50000000 0.12068966 1.0 -0.50000000 0.50000000 0.10344828 1.0 -0.50000000 0.50000000 0.08620690 1.0 -0.50000000 0.50000000 0.06896552 1.0 -0.50000000 0.50000000 0.05172414 1.0 -0.50000000 0.50000000 0.03448276 1.0 -0.50000000 0.50000000 0.01724138 1.0 -0.50000000 0.50000000 0.00000000 1.0 0.00000000 0.00000000 0.50000000 1.0 -0.01428571 0.01428571 0.50000000 1.0 -0.02857143 0.02857143 0.50000000 1.0 -0.04285714 0.04285714 0.50000000 1.0 -0.05714286 0.05714286 0.50000000 1.0 -0.07142857 0.07142857 0.50000000 1.0 -0.08571429 0.08571429 0.50000000 1.0 -0.10000000 0.10000000 0.50000000 1.0 -0.11428571 0.11428571 0.50000000 1.0 -0.12857143 0.12857143 0.50000000 1.0 -0.14285714 0.14285714 0.50000000 1.0 -0.15714286 0.15714286 0.50000000 1.0 -0.17142857 0.17142857 0.50000000 1.0 -0.18571429 0.18571429 0.50000000 1.0 -0.20000000 0.20000000 0.50000000 1.0 -0.21428571 0.21428571 0.50000000 1.0 -0.22857143 0.22857143 0.50000000 1.0 -0.24285714 0.24285714 0.50000000 1.0 -0.25714286 0.25714286 0.50000000 1.0 -0.27142857 0.27142857 0.50000000 1.0 -0.28571429 0.28571429 0.50000000 1.0 -0.30000000 0.30000000 0.50000000 1.0 -0.31428571 0.31428571 0.50000000 1.0 -0.32857143 0.32857143 0.50000000 1.0 -0.34285714 0.34285714 0.50000000 1.0 -0.35714286 0.35714286 0.50000000 1.0 -0.37142857 0.37142857 0.50000000 1.0 -0.38571429 0.38571429 0.50000000 1.0 -0.40000000 0.40000000 0.50000000 1.0 -0.41428571 0.41428571 0.50000000 1.0 -0.42857143 0.42857143 0.50000000 1.0 -0.44285714 0.44285714 0.50000000 1.0 -0.45714286 0.45714286 0.50000000 1.0 -0.47142857 0.47142857 0.50000000 1.0 -0.48571429 0.48571429 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0