! Pwscf input file created with pymatgen.py 
! Compound: Zn(GaS2)2
&control
         calculation     = 'bands'
         prefix          = 'ZnxGaS2x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.0926241198783870
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6581763622616273
         celldm(5)       =           -0.6581763622616273
         celldm(6)       =            0.3163527245232547
         nat             =        7
         ntyp            =        3
         ecutwfc         =       45.00000000
         ecutrho         =      276.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Zn  65.4090 Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
291
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.01190476 1.0 
      0.00000000      -0.00000000       0.02380952 1.0 
      0.00000000      -0.00000000       0.03571429 1.0 
      0.00000000      -0.00000000       0.04761905 1.0 
      0.00000000      -0.00000000       0.05952381 1.0 
      0.00000000      -0.00000000       0.07142857 1.0 
      0.00000000      -0.00000000       0.08333333 1.0 
      0.00000000      -0.00000000       0.09523810 1.0 
      0.00000000      -0.00000000       0.10714286 1.0 
      0.00000000      -0.00000000       0.11904762 1.0 
      0.00000000      -0.00000000       0.13095238 1.0 
      0.00000000      -0.00000000       0.14285714 1.0 
      0.00000000      -0.00000000       0.15476190 1.0 
      0.00000000      -0.00000000       0.16666667 1.0 
      0.00000000      -0.00000000       0.17857143 1.0 
      0.00000000      -0.00000000       0.19047619 1.0 
      0.00000000      -0.00000000       0.20238095 1.0 
      0.00000000      -0.00000000       0.21428571 1.0 
      0.00000000      -0.00000000       0.22619048 1.0 
      0.00000000      -0.00000000       0.23809524 1.0 
      0.00000000      -0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.26190476 1.0 
      0.00000000      -0.00000000       0.27380952 1.0 
      0.00000000      -0.00000000       0.28571429 1.0 
      0.00000000      -0.00000000       0.29761905 1.0 
      0.00000000      -0.00000000       0.30952381 1.0 
      0.00000000      -0.00000000       0.32142857 1.0 
      0.00000000      -0.00000000       0.33333333 1.0 
      0.00000000      -0.00000000       0.34523810 1.0 
      0.00000000      -0.00000000       0.35714286 1.0 
      0.00000000      -0.00000000       0.36904762 1.0 
      0.00000000      -0.00000000       0.38095238 1.0 
      0.00000000      -0.00000000       0.39285714 1.0 
      0.00000000      -0.00000000       0.40476190 1.0 
      0.00000000      -0.00000000       0.41666667 1.0 
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      0.00000000      -0.00000000       0.44047619 1.0 
      0.00000000      -0.00000000       0.45238095 1.0 
      0.00000000      -0.00000000       0.46428571 1.0 
      0.00000000      -0.00000000       0.47619048 1.0 
      0.00000000      -0.00000000       0.48809524 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.01180340       0.01180340       0.50000000 1.0 
     -0.02360680       0.02360680       0.50000000 1.0 
     -0.03541020       0.03541020       0.50000000 1.0 
     -0.04721360       0.04721360       0.50000000 1.0 
     -0.05901700       0.05901700       0.50000000 1.0 
     -0.07082040       0.07082040       0.50000000 1.0 
     -0.08262380       0.08262380       0.50000000 1.0 
     -0.09442720       0.09442720       0.50000000 1.0 
     -0.10623060       0.10623060       0.50000000 1.0 
     -0.11803400       0.11803400       0.50000000 1.0 
     -0.12983740       0.12983740       0.50000000 1.0 
     -0.12983740       0.12983740       0.50000000 1.0 
     -0.13825019       0.13825019       0.49158721 1.0 
     -0.14666298       0.14666298       0.48317443 1.0 
     -0.15507576       0.15507576       0.47476164 1.0 
     -0.16348855       0.16348855       0.46634885 1.0 
     -0.17190133       0.17190133       0.45793607 1.0 
     -0.18031412       0.18031412       0.44952328 1.0 
     -0.18872691       0.18872691       0.44111050 1.0 
     -0.19713969       0.19713969       0.43269771 1.0 
     -0.20555248       0.20555248       0.42428492 1.0 
     -0.21396527       0.21396527       0.41587214 1.0 
     -0.22237805       0.22237805       0.40745935 1.0 
     -0.23079084       0.23079084       0.39904656 1.0 
     -0.23920362       0.23920362       0.39063378 1.0 
     -0.24761641       0.24761641       0.38222099 1.0 
     -0.25602920       0.25602920       0.37380821 1.0 
     -0.26444198       0.26444198       0.36539542 1.0 
     -0.27285477       0.27285477       0.35698263 1.0 
     -0.28126756       0.28126756       0.34856985 1.0 
     -0.28968034       0.28968034       0.34015706 1.0 
     -0.29809313       0.29809313       0.33174427 1.0 
     -0.30650592       0.30650592       0.32333149 1.0 
     -0.31491870       0.31491870       0.31491870 1.0 
     -0.31491870       0.31491870       0.31491870 1.0 
     -0.30663137       0.30663137       0.30663137 1.0 
     -0.29834403       0.29834403       0.29834403 1.0 
     -0.29005670       0.29005670       0.29005670 1.0 
     -0.28176936       0.28176936       0.28176936 1.0 
     -0.27348203       0.27348203       0.27348203 1.0 
     -0.26519470       0.26519470       0.26519470 1.0 
     -0.25690736       0.25690736       0.25690736 1.0 
     -0.24862003       0.24862003       0.24862003 1.0 
     -0.24033269       0.24033269       0.24033269 1.0 
     -0.23204536       0.23204536       0.23204536 1.0 
     -0.22375802       0.22375802       0.22375802 1.0 
     -0.21547069       0.21547069       0.21547069 1.0 
     -0.20718336       0.20718336       0.20718336 1.0 
     -0.19889602       0.19889602       0.19889602 1.0 
     -0.19060869       0.19060869       0.19060869 1.0 
     -0.18232135       0.18232135       0.18232135 1.0 
     -0.17403402       0.17403402       0.17403402 1.0 
     -0.16574668       0.16574668       0.16574668 1.0 
     -0.15745935       0.15745935       0.15745935 1.0 
     -0.14917202       0.14917202       0.14917202 1.0 
     -0.14088468       0.14088468       0.14088468 1.0 
     -0.13259735       0.13259735       0.13259735 1.0 
     -0.12431001       0.12431001       0.12431001 1.0 
     -0.11602268       0.11602268       0.11602268 1.0 
     -0.10773535       0.10773535       0.10773535 1.0 
     -0.09944801       0.09944801       0.09944801 1.0 
     -0.09116068       0.09116068       0.09116068 1.0 
     -0.08287334       0.08287334       0.08287334 1.0 
     -0.07458601       0.07458601       0.07458601 1.0 
     -0.06629867       0.06629867       0.06629867 1.0 
     -0.05801134       0.05801134       0.05801134 1.0 
     -0.04972401       0.04972401       0.04972401 1.0 
     -0.04143667       0.04143667       0.04143667 1.0 
     -0.03314934       0.03314934       0.03314934 1.0 
     -0.02486200       0.02486200       0.02486200 1.0 
     -0.01657467       0.01657467       0.01657467 1.0 
     -0.00828733       0.00828733       0.00828733 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.01612903      -0.01612903 1.0 
      0.03225806       0.03225806      -0.03225806 1.0 
      0.04838710       0.04838710      -0.04838710 1.0 
      0.06451613       0.06451613      -0.06451613 1.0 
      0.08064516       0.08064516      -0.08064516 1.0 
      0.09677419       0.09677419      -0.09677419 1.0 
      0.11290323       0.11290323      -0.11290323 1.0 
      0.12903226       0.12903226      -0.12903226 1.0 
      0.14516129       0.14516129      -0.14516129 1.0 
      0.16129032       0.16129032      -0.16129032 1.0 
      0.17741935       0.17741935      -0.17741935 1.0 
      0.19354839       0.19354839      -0.19354839 1.0 
      0.20967742       0.20967742      -0.20967742 1.0 
      0.22580645       0.22580645      -0.22580645 1.0 
      0.24193548       0.24193548      -0.24193548 1.0 
      0.25806452       0.25806452      -0.25806452 1.0 
      0.27419355       0.27419355      -0.27419355 1.0 
      0.29032258       0.29032258      -0.29032258 1.0 
      0.30645161       0.30645161      -0.30645161 1.0 
      0.32258065       0.32258065      -0.32258065 1.0 
      0.33870968       0.33870968      -0.33870968 1.0 
      0.35483871       0.35483871      -0.35483871 1.0 
      0.37096774       0.37096774      -0.37096774 1.0 
      0.38709677       0.38709677      -0.38709677 1.0 
      0.40322581       0.40322581      -0.40322581 1.0 
      0.41935484       0.41935484      -0.41935484 1.0 
      0.43548387       0.43548387      -0.43548387 1.0 
      0.45161290       0.45161290      -0.45161290 1.0 
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      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49158721       0.50841279      -0.49158721 1.0 
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      0.47476164       0.52523836      -0.47476164 1.0 
      0.46634885       0.53365115      -0.46634885 1.0 
      0.45793607       0.54206393      -0.45793607 1.0 
      0.44952328       0.55047672      -0.44952328 1.0 
      0.44111050       0.55888950      -0.44111050 1.0 
      0.43269771       0.56730229      -0.43269771 1.0 
      0.42428492       0.57571508      -0.42428492 1.0 
      0.41587214       0.58412786      -0.41587214 1.0 
      0.40745935       0.59254065      -0.40745935 1.0 
      0.39904656       0.60095344      -0.39904656 1.0 
      0.39063378       0.60936622      -0.39063378 1.0 
      0.38222099       0.61777901      -0.38222099 1.0 
      0.37380821       0.62619179      -0.37380821 1.0 
      0.36539542       0.63460458      -0.36539542 1.0 
      0.35698263       0.64301737      -0.35698263 1.0 
      0.34856985       0.65143015      -0.34856985 1.0 
      0.34015706       0.65984294      -0.34015706 1.0 
      0.33174427       0.66825573      -0.33174427 1.0 
      0.32333149       0.67666851      -0.32333149 1.0 
      0.31491870       0.68508130      -0.31491870 1.0 
      0.31491870       0.68508130      -0.31491870 1.0 
      0.29639407       0.67419416      -0.29639407 1.0 
      0.27786944       0.66330703      -0.27786944 1.0 
      0.25934481       0.65241989      -0.25934481 1.0 
      0.24082018       0.64153276      -0.24082018 1.0 
      0.22229555       0.63064562      -0.22229555 1.0 
      0.20377092       0.61975849      -0.20377092 1.0 
      0.18524629       0.60887135      -0.18524629 1.0 
      0.16672167       0.59798422      -0.16672167 1.0 
      0.14819704       0.58709708      -0.14819704 1.0 
      0.12967241       0.57620995      -0.12967241 1.0 
      0.11114778       0.56532281      -0.11114778 1.0 
      0.09262315       0.55443568      -0.09262315 1.0 
      0.07409852       0.54354854      -0.07409852 1.0 
      0.05557389       0.53266141      -0.05557389 1.0 
      0.03704926       0.52177427      -0.03704926 1.0 
      0.01852463       0.51088714      -0.01852463 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00833333       0.49166667       0.00833333 1.0 
      0.01666667       0.48333333       0.01666667 1.0 
      0.02500000       0.47500000       0.02500000 1.0 
      0.03333333       0.46666667       0.03333333 1.0 
      0.04166667       0.45833333       0.04166667 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.05833333       0.44166667       0.05833333 1.0 
      0.06666667       0.43333333       0.06666667 1.0 
      0.07500000       0.42500000       0.07500000 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
      0.09166667       0.40833333       0.09166667 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.10833333       0.39166667       0.10833333 1.0 
      0.11666667       0.38333333       0.11666667 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.13333333       0.36666667       0.13333333 1.0 
      0.14166667       0.35833333       0.14166667 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.15833333       0.34166667       0.15833333 1.0 
      0.16666667       0.33333333       0.16666667 1.0 
      0.17500000       0.32500000       0.17500000 1.0 
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      0.28947368       0.28947368       0.19002567 1.0 
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      0.35526316       0.35526316       0.09006846 1.0 
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      0.00000000      -0.00000000       0.50000000 1.0 
      0.01562500       0.01562500       0.48437500 1.0 
      0.03125000       0.03125000       0.46875000 1.0 
      0.04687500       0.04687500       0.45312500 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.07812500       0.07812500       0.42187500 1.0 
      0.09375000       0.09375000       0.40625000 1.0 
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      0.14062500       0.14062500       0.35937500 1.0 
      0.15625000       0.15625000       0.34375000 1.0 
      0.17187500       0.17187500       0.32812500 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.20312500       0.20312500       0.29687500 1.0 
      0.21875000       0.21875000       0.28125000 1.0 
      0.23437500       0.23437500       0.26562500 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

