! Pwscf input file created with ciftopw.py ! Compound: Nb3Ge &control calculation = 'bands' prefix = 'Nb3Ge' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 14.4608817729070136 celldm(2) = 1.0000000000000000 celldm(3) = 1.0000000000000002 celldm(4) = -0.1130544582389642 celldm(5) = -0.1130544582389642 celldm(6) = -0.7738910835220717 nat = 16 ntyp = 2 ecutwfc = 48.00000000 ecutrho = 267.00000000 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 Nb 92.9064 Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 235 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 -0.02272727 0.02272727 0.50000000 1.0 -0.04545455 0.04545455 0.50000000 1.0 -0.06818182 0.06818182 0.50000000 1.0 -0.09090909 0.09090909 0.50000000 1.0 -0.11363636 0.11363636 0.50000000 1.0 -0.13636364 0.13636364 0.50000000 1.0 -0.15909091 0.15909091 0.50000000 1.0 -0.18181818 0.18181818 0.50000000 1.0 -0.20454545 0.20454545 0.50000000 1.0 -0.22727273 0.22727273 0.50000000 1.0 -0.25000000 0.25000000 0.50000000 1.0 -0.27272727 0.27272727 0.50000000 1.0 -0.29545455 0.29545455 0.50000000 1.0 -0.31818182 0.31818182 0.50000000 1.0 -0.34090909 0.34090909 0.50000000 1.0 -0.36363636 0.36363636 0.50000000 1.0 -0.38636364 0.38636364 0.50000000 1.0 -0.40909091 0.40909091 0.50000000 1.0 -0.43181818 0.43181818 0.50000000 1.0 -0.45454545 0.45454545 0.50000000 1.0 -0.47727273 0.47727273 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.48387097 0.48387097 0.48387097 1.0 -0.46774194 0.46774194 0.46774194 1.0 -0.45161290 0.45161290 0.45161290 1.0 -0.43548387 0.43548387 0.43548387 1.0 -0.41935484 0.41935484 0.41935484 1.0 -0.40322581 0.40322581 0.40322581 1.0 -0.38709677 0.38709677 0.38709677 1.0 -0.37096774 0.37096774 0.37096774 1.0 -0.35483871 0.35483871 0.35483871 1.0 -0.33870968 0.33870968 0.33870968 1.0 -0.32258065 0.32258065 0.32258065 1.0 -0.30645161 0.30645161 0.30645161 1.0 -0.29032258 0.29032258 0.29032258 1.0 -0.27419355 0.27419355 0.27419355 1.0 -0.25806452 0.25806452 0.25806452 1.0 -0.24193548 0.24193548 0.24193548 1.0 -0.22580645 0.22580645 0.22580645 1.0 -0.20967742 0.20967742 0.20967742 1.0 -0.19354839 0.19354839 0.19354839 1.0 -0.17741935 0.17741935 0.17741935 1.0 -0.16129032 0.16129032 0.16129032 1.0 -0.14516129 0.14516129 0.14516129 1.0 -0.12903226 0.12903226 0.12903226 1.0 -0.11290323 0.11290323 0.11290323 1.0 -0.09677419 0.09677419 0.09677419 1.0 -0.08064516 0.08064516 0.08064516 1.0 -0.06451613 0.06451613 0.06451613 1.0 -0.04838710 0.04838710 0.04838710 1.0 -0.03225806 0.03225806 0.03225806 1.0 -0.01612903 0.01612903 0.01612903 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00804442 0.00804442 -0.00804442 1.0 0.01608884 0.01608884 -0.01608884 1.0 0.02413327 0.02413327 -0.02413327 1.0 0.03217769 0.03217769 -0.03217769 1.0 0.04022211 0.04022211 -0.04022211 1.0 0.04826653 0.04826653 -0.04826653 1.0 0.05631096 0.05631096 -0.05631096 1.0 0.06435538 0.06435538 -0.06435538 1.0 0.07239980 0.07239980 -0.07239980 1.0 0.08044422 0.08044422 -0.08044422 1.0 0.08848865 0.08848865 -0.08848865 1.0 0.09653307 0.09653307 -0.09653307 1.0 0.10457749 0.10457749 -0.10457749 1.0 0.11262191 0.11262191 -0.11262191 1.0 0.12066633 0.12066633 -0.12066633 1.0 0.12871076 0.12871076 -0.12871076 1.0 0.13675518 0.13675518 -0.13675518 1.0 0.14479960 0.14479960 -0.14479960 1.0 0.15284402 0.15284402 -0.15284402 1.0 0.16088845 0.16088845 -0.16088845 1.0 0.16893287 0.16893287 -0.16893287 1.0 0.17697729 0.17697729 -0.17697729 1.0 0.18502171 0.18502171 -0.18502171 1.0 0.19306613 0.19306613 -0.19306613 1.0 0.20111056 0.20111056 -0.20111056 1.0 0.20915498 0.20915498 -0.20915498 1.0 0.21719940 0.21719940 -0.21719940 1.0 0.22524382 0.22524382 -0.22524382 1.0 0.23328825 0.23328825 -0.23328825 1.0 0.24133267 0.24133267 -0.24133267 1.0 0.24937709 0.24937709 -0.24937709 1.0 0.25742151 0.25742151 -0.25742151 1.0 0.26546594 0.26546594 -0.26546594 1.0 0.27351036 0.27351036 -0.27351036 1.0 0.28155478 0.28155478 -0.28155478 1.0 0.28959920 0.28959920 -0.28959920 1.0 0.29764362 0.29764362 -0.29764362 1.0 0.30568805 0.30568805 -0.30568805 1.0 0.31373247 0.31373247 -0.31373247 1.0 0.31373247 0.31373247 -0.31373247 1.0 0.31107695 0.31107695 -0.29024362 1.0 0.30842143 0.30842143 -0.26675476 1.0 0.30576591 0.30576591 -0.24326591 1.0 0.30311039 0.30311039 -0.21977706 1.0 0.30045487 0.30045487 -0.19628820 1.0 0.29779935 0.29779935 -0.17279935 1.0 0.29514383 0.29514383 -0.14931050 1.0 0.29248831 0.29248831 -0.12582165 1.0 0.28983279 0.28983279 -0.10233279 1.0 0.28717727 0.28717727 -0.07884394 1.0 0.28452175 0.28452175 -0.05535509 1.0 0.28186623 0.28186623 -0.03186623 1.0 0.27921071 0.27921071 -0.00837738 1.0 0.27655520 0.27655520 0.01511147 1.0 0.27389968 0.27389968 0.03860032 1.0 0.27124416 0.27124416 0.06208918 1.0 0.26858864 0.26858864 0.08557803 1.0 0.26593312 0.26593312 0.10906688 1.0 0.26327760 0.26327760 0.13255574 1.0 0.26062208 0.26062208 0.15604459 1.0 0.25796656 0.25796656 0.17953344 1.0 0.25531104 0.25531104 0.20302229 1.0 0.25265552 0.25265552 0.22651115 1.0 0.25000000 0.25000000 0.25000000 1.0 0.25000000 0.25000000 0.25000000 1.0 0.23437500 0.26562500 0.23437500 1.0 0.21875000 0.28125000 0.21875000 1.0 0.20312500 0.29687500 0.20312500 1.0 0.18750000 0.31250000 0.18750000 1.0 0.17187500 0.32812500 0.17187500 1.0 0.15625000 0.34375000 0.15625000 1.0 0.14062500 0.35937500 0.14062500 1.0 0.12500000 0.37500000 0.12500000 1.0 0.10937500 0.39062500 0.10937500 1.0 0.09375000 0.40625000 0.09375000 1.0 0.07812500 0.42187500 0.07812500 1.0 0.06250000 0.43750000 0.06250000 1.0 0.04687500 0.45312500 0.04687500 1.0 0.03125000 0.46875000 0.03125000 1.0 0.01562500 0.48437500 0.01562500 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 -0.01742958 0.51034820 0.01742958 1.0 -0.03485916 0.52069639 0.03485916 1.0 -0.05228874 0.53104459 0.05228874 1.0 -0.06971833 0.54139278 0.06971833 1.0 -0.08714791 0.55174098 0.08714791 1.0 -0.10457749 0.56208918 0.10457749 1.0 -0.12200707 0.57243737 0.12200707 1.0 -0.13943665 0.58278557 0.13943665 1.0 -0.15686623 0.59313377 0.15686623 1.0 -0.17429582 0.60348196 0.17429582 1.0 -0.19172540 0.61383016 0.19172540 1.0 -0.20915498 0.62417835 0.20915498 1.0 -0.22658456 0.63452655 0.22658456 1.0 -0.24401414 0.64487475 0.24401414 1.0 -0.26144372 0.65522294 0.26144372 1.0 -0.27887331 0.66557114 0.27887331 1.0 -0.29630289 0.67591933 0.29630289 1.0 -0.31373247 0.68626753 0.31373247 1.0 -0.31373247 0.68626753 0.31373247 1.0 -0.32183106 0.67816894 0.32183106 1.0 -0.32992965 0.67007035 0.32992965 1.0 -0.33802823 0.66197177 0.33802823 1.0 -0.34612682 0.65387318 0.34612682 1.0 -0.35422541 0.64577459 0.35422541 1.0 -0.36232400 0.63767600 0.36232400 1.0 -0.37042259 0.62957741 0.37042259 1.0 -0.37852118 0.62147882 0.37852118 1.0 -0.38661976 0.61338024 0.38661976 1.0 -0.39471835 0.60528165 0.39471835 1.0 -0.40281694 0.59718306 0.40281694 1.0 -0.41091553 0.58908447 0.41091553 1.0 -0.41901412 0.58098588 0.41901412 1.0 -0.42711271 0.57288729 0.42711271 1.0 -0.43521129 0.56478871 0.43521129 1.0 -0.44330988 0.55669012 0.44330988 1.0 -0.45140847 0.54859153 0.45140847 1.0 -0.45950706 0.54049294 0.45950706 1.0 -0.46760565 0.53239435 0.46760565 1.0 -0.47570424 0.52429576 0.47570424 1.0 -0.48380282 0.51619718 0.48380282 1.0 -0.49190141 0.50809859 0.49190141 1.0 -0.50000000 0.50000000 0.50000000 1.0 -0.00000000 0.00000000 0.50000000 1.0 0.00806452 0.00806452 0.49193548 1.0 0.01612903 0.01612903 0.48387097 1.0 0.02419355 0.02419355 0.47580645 1.0 0.03225806 0.03225806 0.46774194 1.0 0.04032258 0.04032258 0.45967742 1.0 0.04838710 0.04838710 0.45161290 1.0 0.05645161 0.05645161 0.44354839 1.0 0.06451613 0.06451613 0.43548387 1.0 0.07258065 0.07258065 0.42741935 1.0 0.08064516 0.08064516 0.41935484 1.0 0.08870968 0.08870968 0.41129032 1.0 0.09677419 0.09677419 0.40322581 1.0 0.10483871 0.10483871 0.39516129 1.0 0.11290323 0.11290323 0.38709677 1.0 0.12096774 0.12096774 0.37903226 1.0 0.12903226 0.12903226 0.37096774 1.0 0.13709677 0.13709677 0.36290323 1.0 0.14516129 0.14516129 0.35483871 1.0 0.15322581 0.15322581 0.34677419 1.0 0.16129032 0.16129032 0.33870968 1.0 0.16935484 0.16935484 0.33064516 1.0 0.17741935 0.17741935 0.32258065 1.0 0.18548387 0.18548387 0.31451613 1.0 0.19354839 0.19354839 0.30645161 1.0 0.20161290 0.20161290 0.29838710 1.0 0.20967742 0.20967742 0.29032258 1.0 0.21774194 0.21774194 0.28225806 1.0 0.22580645 0.22580645 0.27419355 1.0 0.23387097 0.23387097 0.26612903 1.0 0.24193548 0.24193548 0.25806452 1.0 0.25000000 0.25000000 0.25000000 1.0