! Pwscf input file created with ciftopw.py 
! Compound: Ni3S2
&control
         calculation     = 'bands'
         prefix          = 'Ni3S2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.7140504596968977
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.0091628503526261
         celldm(5)       =            0.0091628503526261
         celldm(6)       =            0.0091628503526261
         nat             =        5
         ntyp            =        2
         ecutwfc         =       42.00000000
         ecutrho         =      236.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
319
      0.00000000       0.00000000       0.00000000 1.0 
      0.01282051      -0.00000000      -0.00000000 1.0 
      0.02564103      -0.00000000      -0.00000000 1.0 
      0.03846154      -0.00000000       0.00000000 1.0 
      0.05128205      -0.00000000      -0.00000000 1.0 
      0.06410256       0.00000000       0.00000000 1.0 
      0.07692308      -0.00000000       0.00000000 1.0 
      0.08974359      -0.00000000      -0.00000000 1.0 
      0.10256410      -0.00000000      -0.00000000 1.0 
      0.11538462      -0.00000000       0.00000000 1.0 
      0.12820513       0.00000000       0.00000000 1.0 
      0.14102564       0.00000000       0.00000000 1.0 
      0.15384615      -0.00000000       0.00000000 1.0 
      0.16666667      -0.00000000      -0.00000000 1.0 
      0.17948718      -0.00000000      -0.00000000 1.0 
      0.19230769      -0.00000000      -0.00000000 1.0 
      0.20512821      -0.00000000      -0.00000000 1.0 
      0.21794872      -0.00000000       0.00000000 1.0 
      0.23076923      -0.00000000       0.00000000 1.0 
      0.24358974      -0.00000000       0.00000000 1.0 
      0.25641026       0.00000000       0.00000000 1.0 
      0.26923077       0.00000000       0.00000000 1.0 
      0.28205128       0.00000000       0.00000000 1.0 
      0.29487179       0.00000000       0.00000000 1.0 
      0.30769231      -0.00000000       0.00000000 1.0 
      0.32051282       0.00000000       0.00000000 1.0 
      0.33333333      -0.00000000      -0.00000000 1.0 
      0.34615385       0.00000000       0.00000000 1.0 
      0.35897436      -0.00000000      -0.00000000 1.0 
      0.37179487       0.00000000      -0.00000000 1.0 
      0.38461538      -0.00000000      -0.00000000 1.0 
      0.39743590       0.00000000      -0.00000000 1.0 
      0.41025641      -0.00000000      -0.00000000 1.0 
      0.42307692       0.00000000      -0.00000000 1.0 
      0.43589744      -0.00000000       0.00000000 1.0 
      0.44871795       0.00000000       0.00000000 1.0 
      0.46153846      -0.00000000       0.00000000 1.0 
      0.47435897       0.00000000       0.00000000 1.0 
      0.48717949      -0.00000000       0.00000000 1.0 
      0.50000000       0.00000000      -0.00000000 1.0 
      0.50000000       0.00000000      -0.00000000 1.0 
      0.50000000       0.00909263      -0.00909263 1.0 
      0.50000000       0.01818526      -0.01818526 1.0 
      0.50000000       0.02727789      -0.02727789 1.0 
      0.50000000       0.03637052      -0.03637052 1.0 
      0.50000000       0.04546315      -0.04546315 1.0 
      0.50000000       0.05455578      -0.05455578 1.0 
      0.50000000       0.06364841      -0.06364841 1.0 
      0.50000000       0.07274104      -0.07274104 1.0 
      0.50000000       0.08183367      -0.08183367 1.0 
      0.50000000       0.09092630      -0.09092630 1.0 
      0.50000000       0.10001893      -0.10001893 1.0 
      0.50000000       0.10911157      -0.10911157 1.0 
      0.50000000       0.11820420      -0.11820420 1.0 
      0.50000000       0.12729683      -0.12729683 1.0 
      0.50000000       0.13638946      -0.13638946 1.0 
      0.50000000       0.14548209      -0.14548209 1.0 
      0.50000000       0.15457472      -0.15457472 1.0 
      0.50000000       0.16366735      -0.16366735 1.0 
      0.50000000       0.17275998      -0.17275998 1.0 
      0.50000000       0.18185261      -0.18185261 1.0 
      0.50000000       0.19094524      -0.19094524 1.0 
      0.50000000       0.20003787      -0.20003787 1.0 
      0.50000000       0.20913050      -0.20913050 1.0 
      0.50000000       0.21822313      -0.21822313 1.0 
      0.50000000       0.22731576      -0.22731576 1.0 
      0.50000000       0.23640839      -0.23640839 1.0 
      0.50000000       0.24550102      -0.24550102 1.0 
      0.50000000       0.25459365      -0.25459365 1.0 
      0.50000000       0.26368628      -0.26368628 1.0 
      0.50000000       0.27277891      -0.27277891 1.0 
      0.50000000       0.28187154      -0.28187154 1.0 
      0.50000000       0.29096417      -0.29096417 1.0 
      0.50000000       0.30005680      -0.30005680 1.0 
      0.50000000       0.30914943      -0.30914943 1.0 
      0.50000000       0.31824207      -0.31824207 1.0 
      0.50000000       0.32733470      -0.32733470 1.0 
      0.50000000       0.33642733      -0.33642733 1.0 
      0.50000000       0.34551996      -0.34551996 1.0 
      0.50000000       0.35461259      -0.35461259 1.0 
      0.50000000       0.36370522      -0.36370522 1.0 
      0.50000000       0.37279785      -0.37279785 1.0 
      0.50000000       0.38189048      -0.38189048 1.0 
      0.50000000       0.39098311      -0.39098311 1.0 
      0.50000000       0.40007574      -0.40007574 1.0 
      0.50000000       0.40916837      -0.40916837 1.0 
      0.50000000       0.41826100      -0.41826100 1.0 
      0.50000000       0.42735363      -0.42735363 1.0 
      0.50000000       0.43644626      -0.43644626 1.0 
      0.50000000       0.44553889      -0.44553889 1.0 
      0.50000000       0.45463152      -0.45463152 1.0 
      0.50000000       0.46372415      -0.46372415 1.0 
      0.50000000       0.47281678      -0.47281678 1.0 
      0.50000000       0.48190941      -0.48190941 1.0 
      0.50000000       0.49100204      -0.49100204 1.0 
      0.50899796       0.50000000       0.49100204 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49253731       0.49253731       0.49253731 1.0 
      0.48507463       0.48507463       0.48507463 1.0 
      0.47761194       0.47761194       0.47761194 1.0 
      0.47014925       0.47014925       0.47014925 1.0 
      0.46268657       0.46268657       0.46268657 1.0 
      0.45522388       0.45522388       0.45522388 1.0 
      0.44776119       0.44776119       0.44776119 1.0 
      0.44029851       0.44029851       0.44029851 1.0 
      0.43283582       0.43283582       0.43283582 1.0 
      0.42537313       0.42537313       0.42537313 1.0 
      0.41791045       0.41791045       0.41791045 1.0 
      0.41044776       0.41044776       0.41044776 1.0 
      0.40298507       0.40298507       0.40298507 1.0 
      0.39552239       0.39552239       0.39552239 1.0 
      0.38805970       0.38805970       0.38805970 1.0 
      0.38059701       0.38059701       0.38059701 1.0 
      0.37313433       0.37313433       0.37313433 1.0 
      0.36567164       0.36567164       0.36567164 1.0 
      0.35820896       0.35820896       0.35820896 1.0 
      0.35074627       0.35074627       0.35074627 1.0 
      0.34328358       0.34328358       0.34328358 1.0 
      0.33582090       0.33582090       0.33582090 1.0 
      0.32835821       0.32835821       0.32835821 1.0 
      0.32089552       0.32089552       0.32089552 1.0 
      0.31343284       0.31343284       0.31343284 1.0 
      0.30597015       0.30597015       0.30597015 1.0 
      0.29850746       0.29850746       0.29850746 1.0 
      0.29104478       0.29104478       0.29104478 1.0 
      0.28358209       0.28358209       0.28358209 1.0 
      0.27611940       0.27611940       0.27611940 1.0 
      0.26865672       0.26865672       0.26865672 1.0 
      0.26119403       0.26119403       0.26119403 1.0 
      0.25373134       0.25373134       0.25373134 1.0 
      0.24626866       0.24626866       0.24626866 1.0 
      0.23880597       0.23880597       0.23880597 1.0 
      0.23134328       0.23134328       0.23134328 1.0 
      0.22388060       0.22388060       0.22388060 1.0 
      0.21641791       0.21641791       0.21641791 1.0 
      0.20895522       0.20895522       0.20895522 1.0 
      0.20149254       0.20149254       0.20149254 1.0 
      0.19402985       0.19402985       0.19402985 1.0 
      0.18656716       0.18656716       0.18656716 1.0 
      0.17910448       0.17910448       0.17910448 1.0 
      0.17164179       0.17164179       0.17164179 1.0 
      0.16417910       0.16417910       0.16417910 1.0 
      0.15671642       0.15671642       0.15671642 1.0 
      0.14925373       0.14925373       0.14925373 1.0 
      0.14179104       0.14179104       0.14179104 1.0 
      0.13432836       0.13432836       0.13432836 1.0 
      0.12686567       0.12686567       0.12686567 1.0 
      0.11940299       0.11940299       0.11940299 1.0 
      0.11194030       0.11194030       0.11194030 1.0 
      0.10447761       0.10447761       0.10447761 1.0 
      0.09701493       0.09701493       0.09701493 1.0 
      0.08955224       0.08955224       0.08955224 1.0 
      0.08208955       0.08208955       0.08208955 1.0 
      0.07462687       0.07462687       0.07462687 1.0 
      0.06716418       0.06716418       0.06716418 1.0 
      0.05970149       0.05970149       0.05970149 1.0 
      0.05223881       0.05223881       0.05223881 1.0 
      0.04477612       0.04477612       0.04477612 1.0 
      0.03731343       0.03731343       0.03731343 1.0 
      0.02985075       0.02985075       0.02985075 1.0 
      0.02238806       0.02238806       0.02238806 1.0 
      0.01492537       0.01492537       0.01492537 1.0 
      0.00746269       0.00746269       0.00746269 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00900911       0.00000000      -0.00900911 1.0 
      0.01801822       0.00000000      -0.01801822 1.0 
      0.02702733       0.00000000      -0.02702733 1.0 
      0.03603644       0.00000000      -0.03603644 1.0 
      0.04504555       0.00000000      -0.04504555 1.0 
      0.05405466       0.00000000      -0.05405466 1.0 
      0.06306377      -0.00000000      -0.06306377 1.0 
      0.07207288       0.00000000      -0.07207288 1.0 
      0.08108199       0.00000000      -0.08108199 1.0 
      0.09009109       0.00000000      -0.09009109 1.0 
      0.09910020       0.00000000      -0.09910020 1.0 
      0.10810931       0.00000000      -0.10810931 1.0 
      0.11711842      -0.00000000      -0.11711842 1.0 
      0.12612753      -0.00000000      -0.12612753 1.0 
      0.13513664       0.00000000      -0.13513664 1.0 
      0.14414575       0.00000000      -0.14414575 1.0 
      0.15315486       0.00000000      -0.15315486 1.0 
      0.16216397       0.00000000      -0.16216397 1.0 
      0.17117308       0.00000000      -0.17117308 1.0 
      0.18018219       0.00000000      -0.18018219 1.0 
      0.18919130       0.00000000      -0.18919130 1.0 
      0.19820041       0.00000000      -0.19820041 1.0 
      0.20720952      -0.00000000      -0.20720952 1.0 
      0.21621863       0.00000000      -0.21621863 1.0 
      0.22522774       0.00000000      -0.22522774 1.0 
      0.23423685      -0.00000000      -0.23423685 1.0 
      0.24324596       0.00000000      -0.24324596 1.0 
      0.25225507      -0.00000000      -0.25225507 1.0 
      0.26126418      -0.00000000      -0.26126418 1.0 
      0.27027328       0.00000000      -0.27027328 1.0 
      0.27928239      -0.00000000      -0.27928239 1.0 
      0.28829150       0.00000000      -0.28829150 1.0 
      0.29730061       0.00000000      -0.29730061 1.0 
      0.30630972       0.00000000      -0.30630972 1.0 
      0.31531883       0.00000000      -0.31531883 1.0 
      0.32432794       0.00000000      -0.32432794 1.0 
      0.33333705       0.00000000      -0.33333705 1.0 
      0.34234616       0.00000000      -0.34234616 1.0 
      0.35135527       0.00000000      -0.35135527 1.0 
      0.36036438       0.00000000      -0.36036438 1.0 
      0.36937349       0.00000000      -0.36937349 1.0 
      0.37838260       0.00000000      -0.37838260 1.0 
      0.38739171       0.00000000      -0.38739171 1.0 
      0.39640082       0.00000000      -0.39640082 1.0 
      0.40540993       0.00000000      -0.40540993 1.0 
      0.41441904      -0.00000000      -0.41441904 1.0 
      0.42342815       0.00000000      -0.42342815 1.0 
      0.43243726       0.00000000      -0.43243726 1.0 
      0.44144636       0.00000000      -0.44144636 1.0 
      0.45045547       0.00000000      -0.45045547 1.0 
      0.45946458       0.00000000      -0.45946458 1.0 
      0.46847369      -0.00000000      -0.46847369 1.0 
      0.47748280      -0.00000000      -0.47748280 1.0 
      0.48649191       0.00000000      -0.48649191 1.0 
      0.49550102      -0.00000000      -0.49550102 1.0 
      0.50449898       0.49550102      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50011839       0.50011839       0.01292111 1.0 
      0.50023679       0.50023679       0.02584221 1.0 
      0.50035518       0.50035518       0.03876332 1.0 
      0.50047358       0.50047358       0.05168443 1.0 
      0.50059197       0.50059197       0.06460553 1.0 
      0.50071036       0.50071036       0.07752664 1.0 
      0.50082876       0.50082876       0.09044774 1.0 
      0.50094715       0.50094715       0.10336885 1.0 
      0.50106555       0.50106555       0.11628996 1.0 
      0.50118394       0.50118394       0.12921106 1.0 
      0.50130234       0.50130234       0.14213217 1.0 
      0.50142073       0.50142073       0.15505328 1.0 
      0.50153912       0.50153912       0.16797438 1.0 
      0.50165752       0.50165752       0.18089549 1.0 
      0.50177591       0.50177591       0.19381660 1.0 
      0.50189431       0.50189431       0.20673770 1.0 
      0.50201270       0.50201270       0.21965881 1.0 
      0.50213109       0.50213109       0.23257992 1.0 
      0.50224949       0.50224949       0.24550102 1.0 
      0.50236788       0.50236788       0.25842213 1.0 
      0.50248628       0.50248628       0.27134323 1.0 
      0.50260467       0.50260467       0.28426434 1.0 
      0.50272307       0.50272307       0.29718545 1.0 
      0.50284146       0.50284146       0.31010655 1.0 
      0.50295985       0.50295985       0.32302766 1.0 
      0.50307825       0.50307825       0.33594877 1.0 
      0.50319664       0.50319664       0.34886987 1.0 
      0.50331504       0.50331504       0.36179098 1.0 
      0.50343343       0.50343343       0.37471209 1.0 
      0.50355182       0.50355182       0.38763319 1.0 
      0.50367022       0.50367022       0.40055430 1.0 
      0.50378861       0.50378861       0.41347541 1.0 
      0.50390701       0.50390701       0.42639651 1.0 
      0.50402540       0.50402540       0.43931762 1.0 
      0.50414380       0.50414380       0.45223872 1.0 
      0.50426219       0.50426219       0.46515983 1.0 
      0.50438058       0.50438058       0.47808094 1.0 
      0.50449898       0.50449898       0.49100204 1.0 
      0.50449898       0.50449898       0.49100204 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000      -0.00000000 1.0 
      0.50016663       0.00917594       0.00917594 1.0 
      0.50033326       0.01835189       0.01835189 1.0 
      0.50049989       0.02752783       0.02752783 1.0 
      0.50066652       0.03670378       0.03670378 1.0 
      0.50083314       0.04587972       0.04587972 1.0 
      0.50099977       0.05505567       0.05505567 1.0 
      0.50116640       0.06423161       0.06423161 1.0 
      0.50133303       0.07340756       0.07340756 1.0 
      0.50149966       0.08258350       0.08258350 1.0 
      0.50166629       0.09175945       0.09175945 1.0 
      0.50183292       0.10093539       0.10093539 1.0 
      0.50199955       0.11011134       0.11011134 1.0 
      0.50216617       0.11928728       0.11928728 1.0 
      0.50233280       0.12846323       0.12846323 1.0 
      0.50249943       0.13763917       0.13763917 1.0 
      0.50266606       0.14681512       0.14681512 1.0 
      0.50283269       0.15599106       0.15599106 1.0 
      0.50299932       0.16516701       0.16516701 1.0 
      0.50316595       0.17434295       0.17434295 1.0 
      0.50333258       0.18351890       0.18351890 1.0 
      0.50349921       0.19269484       0.19269484 1.0 
      0.50366583       0.20187079       0.20187079 1.0 
      0.50383246       0.21104673       0.21104673 1.0 
      0.50399909       0.22022268       0.22022268 1.0 
      0.50416572       0.22939862       0.22939862 1.0 
      0.50433235       0.23857457       0.23857457 1.0 
      0.50449898       0.24775051       0.24775051 1.0 
      0.50466561       0.25692646       0.25692646 1.0 
      0.50483224       0.26610240       0.26610240 1.0 
      0.50499886       0.27527835       0.27527835 1.0 
      0.50516549       0.28445429       0.28445429 1.0 
      0.50533212       0.29363024       0.29363024 1.0 
      0.50549875       0.30280618       0.30280618 1.0 
      0.50566538       0.31198212       0.31198212 1.0 
      0.50583201       0.32115807       0.32115807 1.0 
      0.50599864       0.33033401       0.33033401 1.0 
      0.50616527       0.33950996       0.33950996 1.0 
      0.50633190       0.34868590       0.34868590 1.0 
      0.50649852       0.35786185       0.35786185 1.0 
      0.50666515       0.36703779       0.36703779 1.0 
      0.50683178       0.37621374       0.37621374 1.0 
      0.50699841       0.38538968       0.38538968 1.0 
      0.50716504       0.39456563       0.39456563 1.0 
      0.50733167       0.40374157       0.40374157 1.0 
      0.50749830       0.41291752       0.41291752 1.0 
      0.50766493       0.42209346       0.42209346 1.0 
      0.50783155       0.43126941       0.43126941 1.0 
      0.50799818       0.44044535       0.44044535 1.0 
      0.50816481       0.44962130       0.44962130 1.0 
      0.50833144       0.45879724       0.45879724 1.0 
      0.50849807       0.46797319       0.46797319 1.0 
      0.50866470       0.47714913       0.47714913 1.0 
      0.50883133       0.48632508       0.48632508 1.0 
      0.50899796       0.49550102       0.49550102 1.0 

