! Pwscf input file created with ciftopw.py ! Compound: GeP &control calculation = 'bands' prefix = 'GeP' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 14.7124193016583664 celldm(2) = 1.0000000000000000 celldm(3) = 1.1804028612039665 celldm(4) = 0.1871935630683015 celldm(5) = 0.1871935630683015 celldm(6) = 0.8908245783075207 nat = 12 ntyp = 2 ecutwfc = 35.00000000 ecutrho = 172.00000000 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 P 30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 336 0.00000000 0.00000000 0.00000000 1.0 0.02272727 0.02272727 0.00000000 1.0 0.04545455 0.04545455 0.00000000 1.0 0.06818182 0.06818182 0.00000000 1.0 0.09090909 0.09090909 0.00000000 1.0 0.11363636 0.11363636 0.00000000 1.0 0.13636364 0.13636364 0.00000000 1.0 0.15909091 0.15909091 0.00000000 1.0 0.18181818 0.18181818 0.00000000 1.0 0.20454545 0.20454545 0.00000000 1.0 0.22727273 0.22727273 0.00000000 1.0 0.25000000 0.25000000 0.00000000 1.0 0.27272727 0.27272727 0.00000000 1.0 0.29545455 0.29545455 0.00000000 1.0 0.31818182 0.31818182 0.00000000 1.0 0.34090909 0.34090909 0.00000000 1.0 0.36363636 0.36363636 0.00000000 1.0 0.38636364 0.38636364 0.00000000 1.0 0.40909091 0.40909091 0.00000000 1.0 0.43181818 0.43181818 0.00000000 1.0 0.45454545 0.45454545 0.00000000 1.0 0.47727273 0.47727273 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50450704 0.50450704 0.02842046 1.0 0.50901409 0.50901409 0.05684092 1.0 0.51352113 0.51352113 0.08526138 1.0 0.51802818 0.51802818 0.11368184 1.0 0.52253522 0.52253522 0.14210231 1.0 0.52704226 0.52704226 0.17052277 1.0 0.53154931 0.53154931 0.19894323 1.0 0.53605635 0.53605635 0.22736369 1.0 0.54056339 0.54056339 0.25578415 1.0 0.54507044 0.54507044 0.28420461 1.0 0.54957748 0.54957748 0.31262507 1.0 0.55408453 0.55408453 0.34104553 1.0 0.55859157 0.55859157 0.36946600 1.0 0.56309861 0.56309861 0.39788646 1.0 0.56309861 0.56309861 0.39788646 1.0 0.55047889 0.55047889 0.41830917 1.0 0.53785917 0.53785917 0.43873187 1.0 0.52523945 0.52523945 0.45915458 1.0 0.51261972 0.51261972 0.47957729 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50570867 0.49429133 0.50000000 1.0 0.51141733 0.48858267 0.50000000 1.0 0.51712600 0.48287400 0.50000000 1.0 0.52283467 0.47716533 0.50000000 1.0 0.52854333 0.47145667 0.50000000 1.0 0.53425200 0.46574800 0.50000000 1.0 0.53996067 0.46003933 0.50000000 1.0 0.54566934 0.45433066 0.50000000 1.0 0.55137800 0.44862200 0.50000000 1.0 0.55708667 0.44291333 0.50000000 1.0 0.56279534 0.43720466 0.50000000 1.0 0.56850400 0.43149600 0.50000000 1.0 0.57421267 0.42578733 0.50000000 1.0 0.57992134 0.42007866 0.50000000 1.0 0.58563000 0.41437000 0.50000000 1.0 0.59133867 0.40866133 0.50000000 1.0 0.59704734 0.40295266 0.50000000 1.0 0.60275600 0.39724400 0.50000000 1.0 0.60846467 0.39153533 0.50000000 1.0 0.61417334 0.38582666 0.50000000 1.0 0.61988201 0.38011799 0.50000000 1.0 0.62559067 0.37440933 0.50000000 1.0 0.63129934 0.36870066 0.50000000 1.0 0.63700801 0.36299199 0.50000000 1.0 0.64271667 0.35728333 0.50000000 1.0 0.64842534 0.35157466 0.50000000 1.0 0.65413401 0.34586599 0.50000000 1.0 0.65984267 0.34015733 0.50000000 1.0 0.66555134 0.33444866 0.50000000 1.0 0.67126001 0.32873999 0.50000000 1.0 0.67696867 0.32303133 0.50000000 1.0 0.68267734 0.31732266 0.50000000 1.0 0.68838601 0.31161399 0.50000000 1.0 0.69409468 0.30590532 0.50000000 1.0 0.69980334 0.30019666 0.50000000 1.0 0.70551201 0.29448799 0.50000000 1.0 0.71122068 0.28877932 0.50000000 1.0 0.71692934 0.28307066 0.50000000 1.0 0.72263801 0.27736199 0.50000000 1.0 0.72834668 0.27165332 0.50000000 1.0 0.73405534 0.26594466 0.50000000 1.0 0.73976401 0.26023599 0.50000000 1.0 0.26023599 -0.26023599 0.50000000 1.0 0.25445297 -0.25445297 0.50000000 1.0 0.24866995 -0.24866995 0.50000000 1.0 0.24288692 -0.24288692 0.50000000 1.0 0.23710390 -0.23710390 0.50000000 1.0 0.23132088 -0.23132088 0.50000000 1.0 0.22553786 -0.22553786 0.50000000 1.0 0.21975484 -0.21975484 0.50000000 1.0 0.21397181 -0.21397181 0.50000000 1.0 0.20818879 -0.20818879 0.50000000 1.0 0.20240577 -0.20240577 0.50000000 1.0 0.19662275 -0.19662275 0.50000000 1.0 0.19083973 -0.19083973 0.50000000 1.0 0.18505670 -0.18505670 0.50000000 1.0 0.17927368 -0.17927368 0.50000000 1.0 0.17349066 -0.17349066 0.50000000 1.0 0.16770764 -0.16770764 0.50000000 1.0 0.16192462 -0.16192462 0.50000000 1.0 0.15614159 -0.15614159 0.50000000 1.0 0.15035857 -0.15035857 0.50000000 1.0 0.14457555 -0.14457555 0.50000000 1.0 0.13879253 -0.13879253 0.50000000 1.0 0.13300951 -0.13300951 0.50000000 1.0 0.12722648 -0.12722648 0.50000000 1.0 0.12144346 -0.12144346 0.50000000 1.0 0.11566044 -0.11566044 0.50000000 1.0 0.10987742 -0.10987742 0.50000000 1.0 0.10409440 -0.10409440 0.50000000 1.0 0.09831137 -0.09831137 0.50000000 1.0 0.09252835 -0.09252835 0.50000000 1.0 0.08674533 -0.08674533 0.50000000 1.0 0.08096231 -0.08096231 0.50000000 1.0 0.07517929 -0.07517929 0.50000000 1.0 0.06939626 -0.06939626 0.50000000 1.0 0.06361324 -0.06361324 0.50000000 1.0 0.05783022 -0.05783022 0.50000000 1.0 0.05204720 -0.05204720 0.50000000 1.0 0.04626418 -0.04626418 0.50000000 1.0 0.04048115 -0.04048115 0.50000000 1.0 0.03469813 -0.03469813 0.50000000 1.0 0.02891511 -0.02891511 0.50000000 1.0 0.02313209 -0.02313209 0.50000000 1.0 0.01734907 -0.01734907 0.50000000 1.0 0.01156604 -0.01156604 0.50000000 1.0 0.00578302 -0.00578302 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.02299481 0.02299481 0.50537440 1.0 0.04598962 0.04598962 0.51074879 1.0 0.06898443 0.06898443 0.51612319 1.0 0.09197924 0.09197924 0.52149759 1.0 0.11497405 0.11497405 0.52687198 1.0 0.13796886 0.13796886 0.53224638 1.0 0.16096367 0.16096367 0.53762078 1.0 0.18395848 0.18395848 0.54299518 1.0 0.20695329 0.20695329 0.54836957 1.0 0.22994810 0.22994810 0.55374397 1.0 0.25294291 0.25294291 0.55911837 1.0 0.27593772 0.27593772 0.56449276 1.0 0.29893253 0.29893253 0.56986716 1.0 0.32192734 0.32192734 0.57524156 1.0 0.34492215 0.34492215 0.58061595 1.0 0.36791696 0.36791696 0.58599035 1.0 0.39091177 0.39091177 0.59136475 1.0 0.41390658 0.41390658 0.59673915 1.0 0.43690139 0.43690139 0.60211354 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50573194 0.49426806 0.00000000 1.0 0.51146388 0.48853612 0.00000000 1.0 0.51719582 0.48280418 0.00000000 1.0 0.52292775 0.47707225 0.00000000 1.0 0.52865969 0.47134031 0.00000000 1.0 0.53439163 0.46560837 0.00000000 1.0 0.54012357 0.45987643 0.00000000 1.0 0.54585551 0.45414449 0.00000000 1.0 0.55158745 0.44841255 0.00000000 1.0 0.55731939 0.44268061 0.00000000 1.0 0.56305133 0.43694867 0.00000000 1.0 0.56878326 0.43121674 0.00000000 1.0 0.57451520 0.42548480 0.00000000 1.0 0.58024714 0.41975286 0.00000000 1.0 0.58597908 0.41402092 0.00000000 1.0 0.59171102 0.40828898 0.00000000 1.0 0.59744296 0.40255704 0.00000000 1.0 0.60317490 0.39682510 0.00000000 1.0 0.60890683 0.39109317 0.00000000 1.0 0.61463877 0.38536123 0.00000000 1.0 0.62037071 0.37962929 0.00000000 1.0 0.62610265 0.37389735 0.00000000 1.0 0.63183459 0.36816541 0.00000000 1.0 0.63756653 0.36243347 0.00000000 1.0 0.64329847 0.35670153 0.00000000 1.0 0.64903041 0.35096959 0.00000000 1.0 0.65476234 0.34523766 0.00000000 1.0 0.66049428 0.33950572 0.00000000 1.0 0.66622622 0.33377378 0.00000000 1.0 0.67195816 0.32804184 0.00000000 1.0 0.67769010 0.32230990 0.00000000 1.0 0.68342204 0.31657796 0.00000000 1.0 0.68915398 0.31084602 0.00000000 1.0 0.69488591 0.30511409 0.00000000 1.0 0.70061785 0.29938215 0.00000000 1.0 0.70634979 0.29365021 0.00000000 1.0 0.71208173 0.28791827 0.00000000 1.0 0.71781367 0.28218633 0.00000000 1.0 0.72354561 0.27645439 0.00000000 1.0 0.72927755 0.27072245 0.00000000 1.0 0.73500949 0.26499051 0.00000000 1.0 0.26499051 -0.26499051 -0.00000000 1.0 0.25922985 -0.25922985 -0.00000000 1.0 0.25346919 -0.25346919 -0.00000000 1.0 0.24770852 -0.24770852 -0.00000000 1.0 0.24194786 -0.24194786 -0.00000000 1.0 0.23618720 -0.23618720 -0.00000000 1.0 0.23042653 -0.23042653 -0.00000000 1.0 0.22466587 -0.22466587 -0.00000000 1.0 0.21890521 -0.21890521 -0.00000000 1.0 0.21314454 -0.21314454 -0.00000000 1.0 0.20738388 -0.20738388 -0.00000000 1.0 0.20162322 -0.20162322 -0.00000000 1.0 0.19586255 -0.19586255 -0.00000000 1.0 0.19010189 -0.19010189 -0.00000000 1.0 0.18434123 -0.18434123 -0.00000000 1.0 0.17858056 -0.17858056 -0.00000000 1.0 0.17281990 -0.17281990 -0.00000000 1.0 0.16705924 -0.16705924 -0.00000000 1.0 0.16129857 -0.16129857 -0.00000000 1.0 0.15553791 -0.15553791 -0.00000000 1.0 0.14977725 -0.14977725 -0.00000000 1.0 0.14401658 -0.14401658 -0.00000000 1.0 0.13825592 -0.13825592 -0.00000000 1.0 0.13249526 -0.13249526 -0.00000000 1.0 0.12673459 -0.12673459 -0.00000000 1.0 0.12097393 -0.12097393 -0.00000000 1.0 0.11521327 -0.11521327 -0.00000000 1.0 0.10945260 -0.10945260 -0.00000000 1.0 0.10369194 -0.10369194 -0.00000000 1.0 0.09793128 -0.09793128 -0.00000000 1.0 0.09217061 -0.09217061 -0.00000000 1.0 0.08640995 -0.08640995 -0.00000000 1.0 0.08064929 -0.08064929 -0.00000000 1.0 0.07488862 -0.07488862 -0.00000000 1.0 0.06912796 -0.06912796 -0.00000000 1.0 0.06336730 -0.06336730 -0.00000000 1.0 0.05760663 -0.05760663 -0.00000000 1.0 0.05184597 -0.05184597 -0.00000000 1.0 0.04608531 -0.04608531 -0.00000000 1.0 0.04032464 -0.04032464 -0.00000000 1.0 0.03456398 -0.03456398 -0.00000000 1.0 0.02880332 -0.02880332 -0.00000000 1.0 0.02304265 -0.02304265 -0.00000000 1.0 0.01728199 -0.01728199 -0.00000000 1.0 0.01152133 -0.01152133 -0.00000000 1.0 0.00576066 -0.00576066 -0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.01111111 0.00000000 -0.00000000 1.0 0.02222222 0.00000000 -0.00000000 1.0 0.03333333 -0.00000000 0.00000000 1.0 0.04444444 0.00000000 -0.00000000 1.0 0.05555556 -0.00000000 0.00000000 1.0 0.06666667 -0.00000000 0.00000000 1.0 0.07777778 -0.00000000 0.00000000 1.0 0.08888889 0.00000000 -0.00000000 1.0 0.10000000 0.00000000 0.00000000 1.0 0.11111111 -0.00000000 0.00000000 1.0 0.12222222 0.00000000 0.00000000 1.0 0.13333333 -0.00000000 0.00000000 1.0 0.14444444 0.00000000 -0.00000000 1.0 0.15555556 -0.00000000 0.00000000 1.0 0.16666667 0.00000000 0.00000000 1.0 0.17777778 0.00000000 -0.00000000 1.0 0.18888889 -0.00000000 0.00000000 1.0 0.20000000 0.00000000 0.00000000 1.0 0.21111111 0.00000000 0.00000000 1.0 0.22222222 -0.00000000 0.00000000 1.0 0.23333333 0.00000000 0.00000000 1.0 0.24444444 0.00000000 0.00000000 1.0 0.25555556 0.00000000 0.00000000 1.0 0.26666667 -0.00000000 0.00000000 1.0 0.27777778 0.00000000 0.00000000 1.0 0.28888889 0.00000000 -0.00000000 1.0 0.30000000 0.00000000 -0.00000000 1.0 0.31111111 -0.00000000 0.00000000 1.0 0.32222222 0.00000000 0.00000000 1.0 0.33333333 0.00000000 0.00000000 1.0 0.34444444 0.00000000 0.00000000 1.0 0.35555556 0.00000000 -0.00000000 1.0 0.36666667 0.00000000 0.00000000 1.0 0.37777778 -0.00000000 0.00000000 1.0 0.38888889 -0.00000000 0.00000000 1.0 0.40000000 0.00000000 0.00000000 1.0 0.41111111 0.00000000 -0.00000000 1.0 0.42222222 0.00000000 0.00000000 1.0 0.43333333 0.00000000 0.00000000 1.0 0.44444444 -0.00000000 0.00000000 1.0 0.45555556 0.00000000 0.00000000 1.0 0.46666667 0.00000000 0.00000000 1.0 0.47777778 0.00000000 0.00000000 1.0 0.48888889 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.48936170 -0.00000000 0.48936170 1.0 0.47872340 0.00000000 0.47872340 1.0 0.46808511 0.00000000 0.46808511 1.0 0.45744681 0.00000000 0.45744681 1.0 0.44680851 0.00000000 0.44680851 1.0 0.43617021 -0.00000000 0.43617021 1.0 0.42553191 0.00000000 0.42553191 1.0 0.41489362 0.00000000 0.41489362 1.0 0.40425532 0.00000000 0.40425532 1.0 0.39361702 0.00000000 0.39361702 1.0 0.38297872 0.00000000 0.38297872 1.0 0.37234043 0.00000000 0.37234043 1.0 0.36170213 0.00000000 0.36170213 1.0 0.35106383 0.00000000 0.35106383 1.0 0.34042553 0.00000000 0.34042553 1.0 0.32978723 -0.00000000 0.32978723 1.0 0.31914894 0.00000000 0.31914894 1.0 0.30851064 0.00000000 0.30851064 1.0 0.29787234 0.00000000 0.29787234 1.0 0.28723404 0.00000000 0.28723404 1.0 0.27659574 0.00000000 0.27659574 1.0 0.26595745 0.00000000 0.26595745 1.0 0.25531915 0.00000000 0.25531915 1.0 0.24468085 0.00000000 0.24468085 1.0 0.23404255 -0.00000000 0.23404255 1.0 0.22340426 0.00000000 0.22340426 1.0 0.21276596 -0.00000000 0.21276596 1.0 0.20212766 0.00000000 0.20212766 1.0 0.19148936 0.00000000 0.19148936 1.0 0.18085106 0.00000000 0.18085106 1.0 0.17021277 0.00000000 0.17021277 1.0 0.15957447 0.00000000 0.15957447 1.0 0.14893617 -0.00000000 0.14893617 1.0 0.13829787 0.00000000 0.13829787 1.0 0.12765957 -0.00000000 0.12765957 1.0 0.11702128 0.00000000 0.11702128 1.0 0.10638298 0.00000000 0.10638298 1.0 0.09574468 0.00000000 0.09574468 1.0 0.08510638 0.00000000 0.08510638 1.0 0.07446809 0.00000000 0.07446809 1.0 0.06382979 -0.00000000 0.06382979 1.0 0.05319149 0.00000000 0.05319149 1.0 0.04255319 -0.00000000 0.04255319 1.0 0.03191489 0.00000000 0.03191489 1.0 0.02127660 0.00000000 0.02127660 1.0 0.01063830 0.00000000 0.01063830 1.0 0.00000000 0.00000000 0.00000000 1.0