! Pwscf input file created with ciftopw.py ! Compound: Y(GePt)2 &control calculation = 'bands' prefix = 'YxGePtx2' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 8.2354258600619996 celldm(2) = 0.9899036255162919 celldm(3) = 2.2163836622303812 celldm(4) = 0.0188484397154080 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 10 ntyp = 3 ecutwfc = 41.00000000 ecutrho = 433.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-08 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES Ge 72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF Pt 195.0840 Pt.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 264 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 0.00000000 0.50000000 1.0 0.00000000 0.01340452 0.50056569 1.0 0.00000000 0.02680903 0.50113138 1.0 0.00000000 0.04021355 0.50169707 1.0 0.00000000 0.05361806 0.50226276 1.0 0.00000000 0.06702258 0.50282845 1.0 0.00000000 0.08042709 0.50339414 1.0 0.00000000 0.09383161 0.50395983 1.0 0.00000000 0.10723612 0.50452552 1.0 0.00000000 0.12064064 0.50509121 1.0 0.00000000 0.13404515 0.50565690 1.0 0.00000000 0.14744967 0.50622259 1.0 0.00000000 0.16085418 0.50678828 1.0 0.00000000 0.17425870 0.50735397 1.0 0.00000000 0.18766321 0.50791966 1.0 0.00000000 0.20106773 0.50848535 1.0 0.00000000 0.21447224 0.50905104 1.0 0.00000000 0.22787676 0.50961673 1.0 0.00000000 0.24128127 0.51018242 1.0 0.00000000 0.25468579 0.51074811 1.0 0.00000000 0.26809030 0.51131380 1.0 0.00000000 0.28149482 0.51187949 1.0 0.00000000 0.29489933 0.51244518 1.0 0.00000000 0.30830385 0.51301087 1.0 0.00000000 0.32170836 0.51357656 1.0 0.00000000 0.33511288 0.51414225 1.0 0.00000000 0.34851739 0.51470794 1.0 0.00000000 0.36192191 0.51527363 1.0 0.00000000 0.37532642 0.51583932 1.0 0.00000000 0.38873094 0.51640501 1.0 0.00000000 0.40213545 0.51697070 1.0 0.00000000 0.41553997 0.51753639 1.0 0.00000000 0.42894448 0.51810208 1.0 0.00000000 0.44234900 0.51866777 1.0 0.00000000 0.45575351 0.51923346 1.0 0.00000000 0.46915803 0.51979915 1.0 0.00000000 0.48256254 0.52036484 1.0 0.00000000 0.49596706 0.52093053 1.0 0.00000000 0.49596706 0.52093053 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.01351351 0.50000000 0.50000000 1.0 0.02702703 0.50000000 0.50000000 1.0 0.04054054 0.50000000 0.50000000 1.0 0.05405405 0.50000000 0.50000000 1.0 0.06756757 0.50000000 0.50000000 1.0 0.08108108 0.50000000 0.50000000 1.0 0.09459459 0.50000000 0.50000000 1.0 0.10810811 0.50000000 0.50000000 1.0 0.12162162 0.50000000 0.50000000 1.0 0.13513514 0.50000000 0.50000000 1.0 0.14864865 0.50000000 0.50000000 1.0 0.16216216 0.50000000 0.50000000 1.0 0.17567568 0.50000000 0.50000000 1.0 0.18918919 0.50000000 0.50000000 1.0 0.20270270 0.50000000 0.50000000 1.0 0.21621622 0.50000000 0.50000000 1.0 0.22972973 0.50000000 0.50000000 1.0 0.24324324 0.50000000 0.50000000 1.0 0.25675676 0.50000000 0.50000000 1.0 0.27027027 0.50000000 0.50000000 1.0 0.28378378 0.50000000 0.50000000 1.0 0.29729730 0.50000000 0.50000000 1.0 0.31081081 0.50000000 0.50000000 1.0 0.32432432 0.50000000 0.50000000 1.0 0.33783784 0.50000000 0.50000000 1.0 0.35135135 0.50000000 0.50000000 1.0 0.36486486 0.50000000 0.50000000 1.0 0.37837838 0.50000000 0.50000000 1.0 0.39189189 0.50000000 0.50000000 1.0 0.40540541 0.50000000 0.50000000 1.0 0.41891892 0.50000000 0.50000000 1.0 0.43243243 0.50000000 0.50000000 1.0 0.44594595 0.50000000 0.50000000 1.0 0.45945946 0.50000000 0.50000000 1.0 0.47297297 0.50000000 0.50000000 1.0 0.48648649 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50403294 0.47906947 1.0 0.50000000 0.50403294 0.47906947 1.0 0.50000000 0.50378088 0.44912763 1.0 0.50000000 0.50352882 0.41918578 1.0 0.50000000 0.50327676 0.38924394 1.0 0.50000000 0.50302471 0.35930210 1.0 0.50000000 0.50277265 0.32936026 1.0 0.50000000 0.50252059 0.29941842 1.0 0.50000000 0.50226853 0.26947658 1.0 0.50000000 0.50201647 0.23953473 1.0 0.50000000 0.50176441 0.20959289 1.0 0.50000000 0.50151235 0.17965105 1.0 0.50000000 0.50126029 0.14970921 1.0 0.50000000 0.50100824 0.11976737 1.0 0.50000000 0.50075618 0.08982553 1.0 0.50000000 0.50050412 0.05988368 1.0 0.50000000 0.50025206 0.02994184 1.0 0.50000000 0.50000000 -0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.48648649 0.50000000 0.00000000 1.0 0.47297297 0.50000000 0.00000000 1.0 0.45945946 0.50000000 0.00000000 1.0 0.44594595 0.50000000 0.00000000 1.0 0.43243243 0.50000000 0.00000000 1.0 0.41891892 0.50000000 0.00000000 1.0 0.40540541 0.50000000 0.00000000 1.0 0.39189189 0.50000000 0.00000000 1.0 0.37837838 0.50000000 0.00000000 1.0 0.36486486 0.50000000 0.00000000 1.0 0.35135135 0.50000000 0.00000000 1.0 0.33783784 0.50000000 0.00000000 1.0 0.32432432 0.50000000 0.00000000 1.0 0.31081081 0.50000000 0.00000000 1.0 0.29729730 0.50000000 0.00000000 1.0 0.28378378 0.50000000 0.00000000 1.0 0.27027027 0.50000000 0.00000000 1.0 0.25675676 0.50000000 0.00000000 1.0 0.24324324 0.50000000 0.00000000 1.0 0.22972973 0.50000000 0.00000000 1.0 0.21621622 0.50000000 0.00000000 1.0 0.20270270 0.50000000 0.00000000 1.0 0.18918919 0.50000000 0.00000000 1.0 0.17567568 0.50000000 0.00000000 1.0 0.16216216 0.50000000 0.00000000 1.0 0.14864865 0.50000000 0.00000000 1.0 0.13513514 0.50000000 0.00000000 1.0 0.12162162 0.50000000 0.00000000 1.0 0.10810811 0.50000000 0.00000000 1.0 0.09459459 0.50000000 0.00000000 1.0 0.08108108 0.50000000 0.00000000 1.0 0.06756757 0.50000000 0.00000000 1.0 0.05405405 0.50000000 0.00000000 1.0 0.04054054 0.50000000 0.00000000 1.0 0.02702703 0.50000000 0.00000000 1.0 0.01351351 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50025206 0.02994184 1.0 0.00000000 0.50050412 0.05988368 1.0 0.00000000 0.50075618 0.08982553 1.0 0.00000000 0.50100824 0.11976737 1.0 0.00000000 0.50126029 0.14970921 1.0 0.00000000 0.50151235 0.17965105 1.0 0.00000000 0.50176441 0.20959289 1.0 0.00000000 0.50201647 0.23953473 1.0 0.00000000 0.50226853 0.26947658 1.0 0.00000000 0.50252059 0.29941842 1.0 0.00000000 0.50277265 0.32936026 1.0 0.00000000 0.50302471 0.35930210 1.0 0.00000000 0.50327676 0.38924394 1.0 0.00000000 0.50352882 0.41918578 1.0 0.00000000 0.50378088 0.44912763 1.0 0.00000000 0.50403294 0.47906947 1.0 0.50000000 0.49596706 0.52093053 1.0 0.50000000 0.48256254 0.52036484 1.0 0.50000000 0.46915803 0.51979915 1.0 0.50000000 0.45575351 0.51923346 1.0 0.50000000 0.44234900 0.51866777 1.0 0.50000000 0.42894448 0.51810208 1.0 0.50000000 0.41553997 0.51753639 1.0 0.50000000 0.40213545 0.51697070 1.0 0.50000000 0.38873094 0.51640501 1.0 0.50000000 0.37532642 0.51583932 1.0 0.50000000 0.36192191 0.51527363 1.0 0.50000000 0.34851739 0.51470794 1.0 0.50000000 0.33511288 0.51414225 1.0 0.50000000 0.32170836 0.51357656 1.0 0.50000000 0.30830385 0.51301087 1.0 0.50000000 0.29489933 0.51244518 1.0 0.50000000 0.28149482 0.51187949 1.0 0.50000000 0.26809030 0.51131380 1.0 0.50000000 0.25468579 0.51074811 1.0 0.50000000 0.24128127 0.51018242 1.0 0.50000000 0.22787676 0.50961673 1.0 0.50000000 0.21447224 0.50905104 1.0 0.50000000 0.20106773 0.50848535 1.0 0.50000000 0.18766321 0.50791966 1.0 0.50000000 0.17425870 0.50735397 1.0 0.50000000 0.16085418 0.50678828 1.0 0.50000000 0.14744967 0.50622259 1.0 0.50000000 0.13404515 0.50565690 1.0 0.50000000 0.12064064 0.50509121 1.0 0.50000000 0.10723612 0.50452552 1.0 0.50000000 0.09383161 0.50395983 1.0 0.50000000 0.08042709 0.50339414 1.0 0.50000000 0.06702258 0.50282845 1.0 0.50000000 0.05361806 0.50226276 1.0 0.50000000 0.04021355 0.50169707 1.0 0.50000000 0.02680903 0.50113138 1.0 0.50000000 0.01340452 0.50056569 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.47058824 1.0 0.50000000 0.00000000 0.44117647 1.0 0.50000000 0.00000000 0.41176471 1.0 0.50000000 0.00000000 0.38235294 1.0 0.50000000 0.00000000 0.35294118 1.0 0.50000000 0.00000000 0.32352941 1.0 0.50000000 0.00000000 0.29411765 1.0 0.50000000 0.00000000 0.26470588 1.0 0.50000000 0.00000000 0.23529412 1.0 0.50000000 0.00000000 0.20588235 1.0 0.50000000 0.00000000 0.17647059 1.0 0.50000000 0.00000000 0.14705882 1.0 0.50000000 0.00000000 0.11764706 1.0 0.50000000 0.00000000 0.08823529 1.0 0.50000000 0.00000000 0.05882353 1.0 0.50000000 0.00000000 0.02941176 1.0 0.50000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.01351351 0.00000000 0.50000000 1.0 0.02702703 0.00000000 0.50000000 1.0 0.04054054 0.00000000 0.50000000 1.0 0.05405405 0.00000000 0.50000000 1.0 0.06756757 0.00000000 0.50000000 1.0 0.08108108 0.00000000 0.50000000 1.0 0.09459459 0.00000000 0.50000000 1.0 0.10810811 0.00000000 0.50000000 1.0 0.12162162 0.00000000 0.50000000 1.0 0.13513514 0.00000000 0.50000000 1.0 0.14864865 0.00000000 0.50000000 1.0 0.16216216 0.00000000 0.50000000 1.0 0.17567568 0.00000000 0.50000000 1.0 0.18918919 0.00000000 0.50000000 1.0 0.20270270 0.00000000 0.50000000 1.0 0.21621622 0.00000000 0.50000000 1.0 0.22972973 0.00000000 0.50000000 1.0 0.24324324 0.00000000 0.50000000 1.0 0.25675676 0.00000000 0.50000000 1.0 0.27027027 0.00000000 0.50000000 1.0 0.28378378 0.00000000 0.50000000 1.0 0.29729730 0.00000000 0.50000000 1.0 0.31081081 0.00000000 0.50000000 1.0 0.32432432 0.00000000 0.50000000 1.0 0.33783784 0.00000000 0.50000000 1.0 0.35135135 0.00000000 0.50000000 1.0 0.36486486 0.00000000 0.50000000 1.0 0.37837838 0.00000000 0.50000000 1.0 0.39189189 0.00000000 0.50000000 1.0 0.40540541 0.00000000 0.50000000 1.0 0.41891892 0.00000000 0.50000000 1.0 0.43243243 0.00000000 0.50000000 1.0 0.44594595 0.00000000 0.50000000 1.0 0.45945946 0.00000000 0.50000000 1.0 0.47297297 0.00000000 0.50000000 1.0 0.48648649 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0