! Pwscf input file created with ciftopw.py ! Compound: ReGe2 &control calculation = 'bands' prefix = 'ReGe2' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 9.1798528321411830 celldm(2) = 1.0000000000000000 celldm(3) = 1.6534338209110151 celldm(4) = 0.4837145715670219 celldm(5) = 0.4837145715670219 celldm(6) = 0.7953280823272481 nat = 6 ntyp = 2 ecutwfc = 54.00000000 ecutrho = 290.00000000 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 Re 186.2070 Re.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 421 0.00000000 0.00000000 0.00000000 1.0 0.01250000 0.01250000 0.00000000 1.0 0.02500000 0.02500000 0.00000000 1.0 0.03750000 0.03750000 0.00000000 1.0 0.05000000 0.05000000 0.00000000 1.0 0.06250000 0.06250000 0.00000000 1.0 0.07500000 0.07500000 0.00000000 1.0 0.08750000 0.08750000 0.00000000 1.0 0.10000000 0.10000000 0.00000000 1.0 0.11250000 0.11250000 0.00000000 1.0 0.12500000 0.12500000 0.00000000 1.0 0.13750000 0.13750000 0.00000000 1.0 0.15000000 0.15000000 0.00000000 1.0 0.16250000 0.16250000 0.00000000 1.0 0.17500000 0.17500000 0.00000000 1.0 0.18750000 0.18750000 0.00000000 1.0 0.20000000 0.20000000 0.00000000 1.0 0.21250000 0.21250000 -0.00000000 1.0 0.22500000 0.22500000 0.00000000 1.0 0.23750000 0.23750000 0.00000000 1.0 0.25000000 0.25000000 0.00000000 1.0 0.26250000 0.26250000 0.00000000 1.0 0.27500000 0.27500000 0.00000000 1.0 0.28750000 0.28750000 0.00000000 1.0 0.30000000 0.30000000 0.00000000 1.0 0.31250000 0.31250000 0.00000000 1.0 0.32500000 0.32500000 0.00000000 1.0 0.33750000 0.33750000 0.00000000 1.0 0.35000000 0.35000000 0.00000000 1.0 0.36250000 0.36250000 0.00000000 1.0 0.37500000 0.37500000 0.00000000 1.0 0.38750000 0.38750000 0.00000000 1.0 0.40000000 0.40000000 0.00000000 1.0 0.41250000 0.41250000 0.00000000 1.0 0.42500000 0.42500000 -0.00000000 1.0 0.43750000 0.43750000 0.00000000 1.0 0.45000000 0.45000000 0.00000000 1.0 0.46250000 0.46250000 0.00000000 1.0 0.47500000 0.47500000 0.00000000 1.0 0.48750000 0.48750000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50719046 0.50719046 0.02457846 1.0 0.51438093 0.51438093 0.04915691 1.0 0.52157139 0.52157139 0.07373537 1.0 0.52157139 0.52157139 0.07373537 1.0 0.52054419 0.52054419 0.09403369 1.0 0.51951698 0.51951698 0.11433200 1.0 0.51848977 0.51848977 0.13463032 1.0 0.51746256 0.51746256 0.15492863 1.0 0.51643535 0.51643535 0.17522695 1.0 0.51540814 0.51540814 0.19552526 1.0 0.51438093 0.51438093 0.21582358 1.0 0.51335372 0.51335372 0.23612190 1.0 0.51232651 0.51232651 0.25642021 1.0 0.51129930 0.51129930 0.27671853 1.0 0.51027209 0.51027209 0.29701684 1.0 0.50924488 0.50924488 0.31731516 1.0 0.50821767 0.50821767 0.33761347 1.0 0.50719046 0.50719046 0.35791179 1.0 0.50616326 0.50616326 0.37821011 1.0 0.50513605 0.50513605 0.39850842 1.0 0.50410884 0.50410884 0.41880674 1.0 0.50308163 0.50308163 0.43910505 1.0 0.50205442 0.50205442 0.45940337 1.0 0.50102721 0.50102721 0.47970168 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50487513 0.49512487 0.50000000 1.0 0.50975027 0.49024973 0.50000000 1.0 0.51462540 0.48537460 0.50000000 1.0 0.51950053 0.48049947 0.50000000 1.0 0.52437566 0.47562434 0.50000000 1.0 0.52925080 0.47074920 0.50000000 1.0 0.53412593 0.46587407 0.50000000 1.0 0.53900106 0.46099894 0.50000000 1.0 0.54387619 0.45612381 0.50000000 1.0 0.54875133 0.45124867 0.50000000 1.0 0.55362646 0.44637354 0.50000000 1.0 0.55850159 0.44149841 0.50000000 1.0 0.56337673 0.43662327 0.50000000 1.0 0.56825186 0.43174814 0.50000000 1.0 0.57312699 0.42687301 0.50000000 1.0 0.57800212 0.42199788 0.50000000 1.0 0.58287726 0.41712274 0.50000000 1.0 0.58775239 0.41224761 0.50000000 1.0 0.59262752 0.40737248 0.50000000 1.0 0.59750265 0.40249735 0.50000000 1.0 0.60237779 0.39762221 0.50000000 1.0 0.60725292 0.39274708 0.50000000 1.0 0.61212805 0.38787195 0.50000000 1.0 0.61700319 0.38299681 0.50000000 1.0 0.62187832 0.37812168 0.50000000 1.0 0.62675345 0.37324655 0.50000000 1.0 0.63162858 0.36837142 0.50000000 1.0 0.63650372 0.36349628 0.50000000 1.0 0.64137885 0.35862115 0.50000000 1.0 0.64625398 0.35374602 0.50000000 1.0 0.65112911 0.34887089 0.50000000 1.0 0.65600425 0.34399575 0.50000000 1.0 0.66087938 0.33912062 0.50000000 1.0 0.66575451 0.33424549 0.50000000 1.0 0.67062965 0.32937035 0.50000000 1.0 0.67550478 0.32449522 0.50000000 1.0 0.68037991 0.31962009 0.50000000 1.0 0.68525504 0.31474496 0.50000000 1.0 0.69013018 0.30986982 0.50000000 1.0 0.69500531 0.30499469 0.50000000 1.0 0.69988044 0.30011956 0.50000000 1.0 0.70475557 0.29524443 0.50000000 1.0 0.70963071 0.29036929 0.50000000 1.0 0.71450584 0.28549416 0.50000000 1.0 0.71938097 0.28061903 0.50000000 1.0 0.72425611 0.27574389 0.50000000 1.0 0.72913124 0.27086876 0.50000000 1.0 0.73400637 0.26599363 0.50000000 1.0 0.26599363 -0.26599363 0.50000000 1.0 0.26106782 -0.26106782 0.50000000 1.0 0.25614201 -0.25614201 0.50000000 1.0 0.25121621 -0.25121621 0.50000000 1.0 0.24629040 -0.24629040 0.50000000 1.0 0.24136459 -0.24136459 0.50000000 1.0 0.23643878 -0.23643878 0.50000000 1.0 0.23151297 -0.23151297 0.50000000 1.0 0.22658717 -0.22658717 0.50000000 1.0 0.22166136 -0.22166136 0.50000000 1.0 0.21673555 -0.21673555 0.50000000 1.0 0.21180974 -0.21180974 0.50000000 1.0 0.20688393 -0.20688393 0.50000000 1.0 0.20195813 -0.20195813 0.50000000 1.0 0.19703232 -0.19703232 0.50000000 1.0 0.19210651 -0.19210651 0.50000000 1.0 0.18718070 -0.18718070 0.50000000 1.0 0.18225489 -0.18225489 0.50000000 1.0 0.17732909 -0.17732909 0.50000000 1.0 0.17240328 -0.17240328 0.50000000 1.0 0.16747747 -0.16747747 0.50000000 1.0 0.16255166 -0.16255166 0.50000000 1.0 0.15762585 -0.15762585 0.50000000 1.0 0.15270005 -0.15270005 0.50000000 1.0 0.14777424 -0.14777424 0.50000000 1.0 0.14284843 -0.14284843 0.50000000 1.0 0.13792262 -0.13792262 0.50000000 1.0 0.13299681 -0.13299681 0.50000000 1.0 0.12807101 -0.12807101 0.50000000 1.0 0.12314520 -0.12314520 0.50000000 1.0 0.11821939 -0.11821939 0.50000000 1.0 0.11329358 -0.11329358 0.50000000 1.0 0.10836777 -0.10836777 0.50000000 1.0 0.10344197 -0.10344197 0.50000000 1.0 0.09851616 -0.09851616 0.50000000 1.0 0.09359035 -0.09359035 0.50000000 1.0 0.08866454 -0.08866454 0.50000000 1.0 0.08373874 -0.08373874 0.50000000 1.0 0.07881293 -0.07881293 0.50000000 1.0 0.07388712 -0.07388712 0.50000000 1.0 0.06896131 -0.06896131 0.50000000 1.0 0.06403550 -0.06403550 0.50000000 1.0 0.05910970 -0.05910970 0.50000000 1.0 0.05418389 -0.05418389 0.50000000 1.0 0.04925808 -0.04925808 0.50000000 1.0 0.04433227 -0.04433227 0.50000000 1.0 0.03940646 -0.03940646 0.50000000 1.0 0.03448066 -0.03448066 0.50000000 1.0 0.02955485 -0.02955485 0.50000000 1.0 0.02462904 -0.02462904 0.50000000 1.0 0.01970323 -0.01970323 0.50000000 1.0 0.01477742 -0.01477742 0.50000000 1.0 0.00985162 -0.00985162 0.50000000 1.0 0.00492581 -0.00492581 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.01449784 0.01449784 0.51291711 1.0 0.02899567 0.02899567 0.52583422 1.0 0.04349351 0.04349351 0.53875133 1.0 0.05799135 0.05799135 0.55166844 1.0 0.07248918 0.07248918 0.56458555 1.0 0.08698702 0.08698702 0.57750266 1.0 0.10148486 0.10148486 0.59041977 1.0 0.11598269 0.11598269 0.60333688 1.0 0.13048053 0.13048053 0.61625399 1.0 0.14497837 0.14497837 0.62917110 1.0 0.15947620 0.15947620 0.64208821 1.0 0.17397404 0.17397404 0.65500532 1.0 0.18847187 0.18847187 0.66792243 1.0 0.20296971 0.20296971 0.68083954 1.0 0.21746755 0.21746755 0.69375665 1.0 0.23196538 0.23196538 0.70667376 1.0 0.24646322 0.24646322 0.71959087 1.0 0.26096106 0.26096106 0.73250798 1.0 0.27545889 0.27545889 0.74542509 1.0 0.28995673 0.28995673 0.75834220 1.0 0.30445457 0.30445457 0.77125931 1.0 0.31895240 0.31895240 0.78417642 1.0 0.33345024 0.33345024 0.79709353 1.0 0.34794808 0.34794808 0.81001064 1.0 0.36244591 0.36244591 0.82292775 1.0 0.37694375 0.37694375 0.83584486 1.0 0.39144159 0.39144159 0.84876197 1.0 0.40593942 0.40593942 0.86167908 1.0 0.42043726 0.42043726 0.87459619 1.0 0.43493510 0.43493510 0.88751330 1.0 0.44943293 0.44943293 0.90043041 1.0 0.46393077 0.46393077 0.91334752 1.0 0.47842861 0.47842861 0.92626463 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50491748 0.49508252 0.00000000 1.0 0.50983496 0.49016504 0.00000000 1.0 0.51475243 0.48524757 0.00000000 1.0 0.51966991 0.48033009 0.00000000 1.0 0.52458739 0.47541261 0.00000000 1.0 0.52950487 0.47049513 0.00000000 1.0 0.53442235 0.46557765 0.00000000 1.0 0.53933983 0.46066017 0.00000000 1.0 0.54425730 0.45574270 0.00000000 1.0 0.54917478 0.45082522 0.00000000 1.0 0.55409226 0.44590774 0.00000000 1.0 0.55900974 0.44099026 0.00000000 1.0 0.56392722 0.43607278 0.00000000 1.0 0.56884470 0.43115530 0.00000000 1.0 0.57376217 0.42623783 0.00000000 1.0 0.57867965 0.42132035 0.00000000 1.0 0.58359713 0.41640287 0.00000000 1.0 0.58851461 0.41148539 0.00000000 1.0 0.59343209 0.40656791 0.00000000 1.0 0.59834956 0.40165044 0.00000000 1.0 0.60326704 0.39673296 0.00000000 1.0 0.60818452 0.39181548 -0.00000000 1.0 0.61310200 0.38689800 -0.00000000 1.0 0.61801948 0.38198052 -0.00000000 1.0 0.62293696 0.37706304 -0.00000000 1.0 0.62785443 0.37214557 -0.00000000 1.0 0.63277191 0.36722809 -0.00000000 1.0 0.63768939 0.36231061 -0.00000000 1.0 0.64260687 0.35739313 -0.00000000 1.0 0.64752435 0.35247565 -0.00000000 1.0 0.65244183 0.34755817 -0.00000000 1.0 0.65735930 0.34264070 -0.00000000 1.0 0.66227678 0.33772322 -0.00000000 1.0 0.66719426 0.33280574 -0.00000000 1.0 0.67211174 0.32788826 -0.00000000 1.0 0.67702922 0.32297078 -0.00000000 1.0 0.68194669 0.31805331 -0.00000000 1.0 0.68686417 0.31313583 -0.00000000 1.0 0.69178165 0.30821835 -0.00000000 1.0 0.69669913 0.30330087 -0.00000000 1.0 0.70161661 0.29838339 -0.00000000 1.0 0.70653409 0.29346591 -0.00000000 1.0 0.71145156 0.28854844 -0.00000000 1.0 0.28854844 -0.28854844 0.00000000 1.0 0.28365778 -0.28365778 0.00000000 1.0 0.27876713 -0.27876713 0.00000000 1.0 0.27387648 -0.27387648 0.00000000 1.0 0.26898583 -0.26898583 0.00000000 1.0 0.26409518 -0.26409518 0.00000000 1.0 0.25920453 -0.25920453 0.00000000 1.0 0.25431388 -0.25431388 0.00000000 1.0 0.24942322 -0.24942322 0.00000000 1.0 0.24453257 -0.24453257 0.00000000 1.0 0.23964192 -0.23964192 0.00000000 1.0 0.23475127 -0.23475127 0.00000000 1.0 0.22986062 -0.22986062 0.00000000 1.0 0.22496997 -0.22496997 0.00000000 1.0 0.22007932 -0.22007932 0.00000000 1.0 0.21518866 -0.21518866 0.00000000 1.0 0.21029801 -0.21029801 0.00000000 1.0 0.20540736 -0.20540736 0.00000000 1.0 0.20051671 -0.20051671 0.00000000 1.0 0.19562606 -0.19562606 0.00000000 1.0 0.19073541 -0.19073541 0.00000000 1.0 0.18584476 -0.18584476 0.00000000 1.0 0.18095410 -0.18095410 0.00000000 1.0 0.17606345 -0.17606345 0.00000000 1.0 0.17117280 -0.17117280 0.00000000 1.0 0.16628215 -0.16628215 0.00000000 1.0 0.16139150 -0.16139150 0.00000000 1.0 0.15650085 -0.15650085 0.00000000 1.0 0.15161019 -0.15161019 0.00000000 1.0 0.14671954 -0.14671954 0.00000000 1.0 0.14182889 -0.14182889 0.00000000 1.0 0.13693824 -0.13693824 0.00000000 1.0 0.13204759 -0.13204759 0.00000000 1.0 0.12715694 -0.12715694 0.00000000 1.0 0.12226629 -0.12226629 0.00000000 1.0 0.11737563 -0.11737563 0.00000000 1.0 0.11248498 -0.11248498 0.00000000 1.0 0.10759433 -0.10759433 0.00000000 1.0 0.10270368 -0.10270368 0.00000000 1.0 0.09781303 -0.09781303 0.00000000 1.0 0.09292238 -0.09292238 0.00000000 1.0 0.08803173 -0.08803173 0.00000000 1.0 0.08314107 -0.08314107 0.00000000 1.0 0.07825042 -0.07825042 0.00000000 1.0 0.07335977 -0.07335977 0.00000000 1.0 0.06846912 -0.06846912 0.00000000 1.0 0.06357847 -0.06357847 0.00000000 1.0 0.05868782 -0.05868782 0.00000000 1.0 0.05379717 -0.05379717 0.00000000 1.0 0.04890651 -0.04890651 0.00000000 1.0 0.04401586 -0.04401586 0.00000000 1.0 0.03912521 -0.03912521 0.00000000 1.0 0.03423456 -0.03423456 0.00000000 1.0 0.02934391 -0.02934391 0.00000000 1.0 0.02445326 -0.02445326 0.00000000 1.0 0.01956261 -0.01956261 0.00000000 1.0 0.01467195 -0.01467195 0.00000000 1.0 0.00978130 -0.00978130 0.00000000 1.0 0.00489065 -0.00489065 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00909091 -0.00000000 0.00000000 1.0 0.01818182 -0.00000000 0.00000000 1.0 0.02727273 -0.00000000 0.00000000 1.0 0.03636364 -0.00000000 0.00000000 1.0 0.04545455 -0.00000000 0.00000000 1.0 0.05454545 -0.00000000 0.00000000 1.0 0.06363636 0.00000000 0.00000000 1.0 0.07272727 -0.00000000 0.00000000 1.0 0.08181818 -0.00000000 0.00000000 1.0 0.09090909 -0.00000000 0.00000000 1.0 0.10000000 0.00000000 0.00000000 1.0 0.10909091 -0.00000000 0.00000000 1.0 0.11818182 -0.00000000 0.00000000 1.0 0.12727273 0.00000000 0.00000000 1.0 0.13636364 0.00000000 0.00000000 1.0 0.14545455 -0.00000000 0.00000000 1.0 0.15454545 -0.00000000 0.00000000 1.0 0.16363636 -0.00000000 0.00000000 1.0 0.17272727 -0.00000000 0.00000000 1.0 0.18181818 -0.00000000 0.00000000 1.0 0.19090909 -0.00000000 0.00000000 1.0 0.20000000 0.00000000 0.00000000 1.0 0.20909091 0.00000000 0.00000000 1.0 0.21818182 -0.00000000 0.00000000 1.0 0.22727273 0.00000000 0.00000000 1.0 0.23636364 -0.00000000 0.00000000 1.0 0.24545455 0.00000000 0.00000000 1.0 0.25454545 0.00000000 0.00000000 1.0 0.26363636 0.00000000 0.00000000 1.0 0.27272727 0.00000000 0.00000000 1.0 0.28181818 0.00000000 0.00000000 1.0 0.29090909 -0.00000000 0.00000000 1.0 0.30000000 0.00000000 0.00000000 1.0 0.30909091 -0.00000000 0.00000000 1.0 0.31818182 0.00000000 0.00000000 1.0 0.32727273 -0.00000000 0.00000000 1.0 0.33636364 0.00000000 0.00000000 1.0 0.34545455 -0.00000000 0.00000000 1.0 0.35454545 0.00000000 0.00000000 1.0 0.36363636 -0.00000000 0.00000000 1.0 0.37272727 0.00000000 0.00000000 1.0 0.38181818 -0.00000000 0.00000000 1.0 0.39090909 0.00000000 0.00000000 1.0 0.40000000 0.00000000 0.00000000 1.0 0.40909091 0.00000000 0.00000000 1.0 0.41818182 0.00000000 0.00000000 1.0 0.42727273 0.00000000 0.00000000 1.0 0.43636364 -0.00000000 0.00000000 1.0 0.44545455 0.00000000 0.00000000 1.0 0.45454545 0.00000000 0.00000000 1.0 0.46363636 0.00000000 0.00000000 1.0 0.47272727 -0.00000000 0.00000000 1.0 0.48181818 0.00000000 0.00000000 1.0 0.49090909 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.49090909 0.00000000 0.49090909 1.0 0.48181818 0.00000000 0.48181818 1.0 0.47272727 -0.00000000 0.47272727 1.0 0.46363636 0.00000000 0.46363636 1.0 0.45454545 0.00000000 0.45454545 1.0 0.44545455 0.00000000 0.44545455 1.0 0.43636364 -0.00000000 0.43636364 1.0 0.42727273 0.00000000 0.42727273 1.0 0.41818182 0.00000000 0.41818182 1.0 0.40909091 0.00000000 0.40909091 1.0 0.40000000 -0.00000000 0.40000000 1.0 0.39090909 0.00000000 0.39090909 1.0 0.38181818 0.00000000 0.38181818 1.0 0.37272727 0.00000000 0.37272727 1.0 0.36363636 -0.00000000 0.36363636 1.0 0.35454545 0.00000000 0.35454545 1.0 0.34545455 0.00000000 0.34545455 1.0 0.33636364 0.00000000 0.33636364 1.0 0.32727273 -0.00000000 0.32727273 1.0 0.31818182 0.00000000 0.31818182 1.0 0.30909091 0.00000000 0.30909091 1.0 0.30000000 0.00000000 0.30000000 1.0 0.29090909 -0.00000000 0.29090909 1.0 0.28181818 0.00000000 0.28181818 1.0 0.27272727 0.00000000 0.27272727 1.0 0.26363636 0.00000000 0.26363636 1.0 0.25454545 0.00000000 0.25454545 1.0 0.24545455 0.00000000 0.24545455 1.0 0.23636364 0.00000000 0.23636364 1.0 0.22727273 0.00000000 0.22727273 1.0 0.21818182 0.00000000 0.21818182 1.0 0.20909091 0.00000000 0.20909091 1.0 0.20000000 0.00000000 0.20000000 1.0 0.19090909 0.00000000 0.19090909 1.0 0.18181818 0.00000000 0.18181818 1.0 0.17272727 0.00000000 0.17272727 1.0 0.16363636 -0.00000000 0.16363636 1.0 0.15454545 0.00000000 0.15454545 1.0 0.14545455 -0.00000000 0.14545455 1.0 0.13636364 0.00000000 0.13636364 1.0 0.12727273 0.00000000 0.12727273 1.0 0.11818182 0.00000000 0.11818182 1.0 0.10909091 0.00000000 0.10909091 1.0 0.10000000 0.00000000 0.10000000 1.0 0.09090909 -0.00000000 0.09090909 1.0 0.08181818 -0.00000000 0.08181818 1.0 0.07272727 -0.00000000 0.07272727 1.0 0.06363636 0.00000000 0.06363636 1.0 0.05454545 0.00000000 0.05454545 1.0 0.04545455 -0.00000000 0.04545455 1.0 0.03636364 -0.00000000 0.03636364 1.0 0.02727273 0.00000000 0.02727273 1.0 0.01818182 0.00000000 0.01818182 1.0 0.00909091 0.00000000 0.00909091 1.0 0.00000000 0.00000000 0.00000000 1.0