! Pwscf input file created with pymatgen.py 
! Compound: Cd(GaS2)2
&control
         calculation     = 'bands'
         prefix          = 'CdxGaS2x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.1365990306289824
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.6268816802581170
         celldm(5)       =           -0.6268816802581170
         celldm(6)       =            0.2537633605162334
         nat             =        7
         ntyp            =        3
         ecutwfc         =       44.00000000
         ecutrho         =      639.00000000
         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 
Cd 112.4110 Cd.rel-pbe-n-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
284
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01219512 1.0 
      0.00000000       0.00000000       0.02439024 1.0 
      0.00000000      -0.00000000       0.03658537 1.0 
      0.00000000       0.00000000       0.04878049 1.0 
      0.00000000       0.00000000       0.06097561 1.0 
      0.00000000      -0.00000000       0.07317073 1.0 
      0.00000000      -0.00000000       0.08536585 1.0 
      0.00000000       0.00000000       0.09756098 1.0 
      0.00000000       0.00000000       0.10975610 1.0 
      0.00000000       0.00000000       0.12195122 1.0 
      0.00000000       0.00000000       0.13414634 1.0 
      0.00000000      -0.00000000       0.14634146 1.0 
      0.00000000       0.00000000       0.15853659 1.0 
      0.00000000      -0.00000000       0.17073171 1.0 
      0.00000000       0.00000000       0.18292683 1.0 
      0.00000000       0.00000000       0.19512195 1.0 
      0.00000000       0.00000000       0.20731707 1.0 
      0.00000000       0.00000000       0.21951220 1.0 
      0.00000000      -0.00000000       0.23170732 1.0 
      0.00000000       0.00000000       0.24390244 1.0 
      0.00000000       0.00000000       0.25609756 1.0 
      0.00000000       0.00000000       0.26829268 1.0 
      0.00000000       0.00000000       0.28048780 1.0 
      0.00000000      -0.00000000       0.29268293 1.0 
      0.00000000       0.00000000       0.30487805 1.0 
      0.00000000       0.00000000       0.31707317 1.0 
      0.00000000       0.00000000       0.32926829 1.0 
      0.00000000      -0.00000000       0.34146341 1.0 
      0.00000000       0.00000000       0.35365854 1.0 
      0.00000000       0.00000000       0.36585366 1.0 
      0.00000000      -0.00000000       0.37804878 1.0 
      0.00000000       0.00000000       0.39024390 1.0 
      0.00000000       0.00000000       0.40243902 1.0 
      0.00000000       0.00000000       0.41463415 1.0 
      0.00000000      -0.00000000       0.42682927 1.0 
      0.00000000       0.00000000       0.43902439 1.0 
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      0.00000000      -0.00000000       0.46341463 1.0 
      0.00000000       0.00000000       0.47560976 1.0 
      0.00000000       0.00000000       0.48780488 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01239994       0.01239994       0.50000000 1.0 
     -0.02479989       0.02479989       0.50000000 1.0 
     -0.03719983       0.03719983       0.50000000 1.0 
     -0.04959978       0.04959978       0.50000000 1.0 
     -0.06199972       0.06199972       0.50000000 1.0 
     -0.07439967       0.07439967       0.50000000 1.0 
     -0.08679961       0.08679961       0.50000000 1.0 
     -0.09919956       0.09919956       0.50000000 1.0 
     -0.11159950       0.11159950       0.50000000 1.0 
     -0.12399945       0.12399945       0.50000000 1.0 
     -0.13639939       0.13639939       0.50000000 1.0 
     -0.14879934       0.14879934       0.50000000 1.0 
     -0.14879934       0.14879934       0.50000000 1.0 
     -0.15757936       0.15757936       0.49121998 1.0 
     -0.16635937       0.16635937       0.48243997 1.0 
     -0.17513939       0.17513939       0.47365995 1.0 
     -0.18391941       0.18391941       0.46487993 1.0 
     -0.19269942       0.19269942       0.45609992 1.0 
     -0.20147944       0.20147944       0.44731990 1.0 
     -0.21025946       0.21025946       0.43853988 1.0 
     -0.21903947       0.21903947       0.42975987 1.0 
     -0.22781949       0.22781949       0.42097985 1.0 
     -0.23659950       0.23659950       0.41219983 1.0 
     -0.24537952       0.24537952       0.40341982 1.0 
     -0.25415954       0.25415954       0.39463980 1.0 
     -0.26293955       0.26293955       0.38585979 1.0 
     -0.27171957       0.27171957       0.37707977 1.0 
     -0.28049959       0.28049959       0.36829975 1.0 
     -0.28927960       0.28927960       0.35951974 1.0 
     -0.29805962       0.29805962       0.35073972 1.0 
     -0.30683964       0.30683964       0.34195970 1.0 
     -0.31561965       0.31561965       0.33317969 1.0 
     -0.32439967       0.32439967       0.32439967 1.0 
     -0.32439967       0.32439967       0.32439967 1.0 
     -0.31563211       0.31563211       0.31563211 1.0 
     -0.30686455       0.30686455       0.30686455 1.0 
     -0.29809699       0.29809699       0.29809699 1.0 
     -0.28932944       0.28932944       0.28932944 1.0 
     -0.28056188       0.28056188       0.28056188 1.0 
     -0.27179432       0.27179432       0.27179432 1.0 
     -0.26302676       0.26302676       0.26302676 1.0 
     -0.25425920       0.25425920       0.25425920 1.0 
     -0.24549164       0.24549164       0.24549164 1.0 
     -0.23672408       0.23672408       0.23672408 1.0 
     -0.22795652       0.22795652       0.22795652 1.0 
     -0.21918897       0.21918897       0.21918897 1.0 
     -0.21042141       0.21042141       0.21042141 1.0 
     -0.20165385       0.20165385       0.20165385 1.0 
     -0.19288629       0.19288629       0.19288629 1.0 
     -0.18411873       0.18411873       0.18411873 1.0 
     -0.17535117       0.17535117       0.17535117 1.0 
     -0.16658361       0.16658361       0.16658361 1.0 
     -0.15781606       0.15781606       0.15781606 1.0 
     -0.14904850       0.14904850       0.14904850 1.0 
     -0.14028094       0.14028094       0.14028094 1.0 
     -0.13151338       0.13151338       0.13151338 1.0 
     -0.12274582       0.12274582       0.12274582 1.0 
     -0.11397826       0.11397826       0.11397826 1.0 
     -0.10521070       0.10521070       0.10521070 1.0 
     -0.09644315       0.09644315       0.09644315 1.0 
     -0.08767559       0.08767559       0.08767559 1.0 
     -0.07890803       0.07890803       0.07890803 1.0 
     -0.07014047       0.07014047       0.07014047 1.0 
     -0.06137291       0.06137291       0.06137291 1.0 
     -0.05260535       0.05260535       0.05260535 1.0 
     -0.04383779       0.04383779       0.04383779 1.0 
     -0.03507023       0.03507023       0.03507023 1.0 
     -0.02630268       0.02630268       0.02630268 1.0 
     -0.01753512       0.01753512       0.01753512 1.0 
     -0.00876756       0.00876756       0.00876756 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 
      0.46774194       0.46774194      -0.46774194 1.0 
      0.48387097       0.48387097      -0.48387097 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49121998       0.50878002      -0.49121998 1.0 
      0.48243997       0.51756003      -0.48243997 1.0 
      0.47365995       0.52634005      -0.47365995 1.0 
      0.46487993       0.53512007      -0.46487993 1.0 
      0.45609992       0.54390008      -0.45609992 1.0 
      0.44731990       0.55268010      -0.44731990 1.0 
      0.43853988       0.56146012      -0.43853988 1.0 
      0.42975987       0.57024013      -0.42975987 1.0 
      0.42097985       0.57902015      -0.42097985 1.0 
      0.41219983       0.58780017      -0.41219983 1.0 
      0.40341982       0.59658018      -0.40341982 1.0 
      0.39463980       0.60536020      -0.39463980 1.0 
      0.38585979       0.61414021      -0.38585979 1.0 
      0.37707977       0.62292023      -0.37707977 1.0 
      0.36829975       0.63170025      -0.36829975 1.0 
      0.35951974       0.64048026      -0.35951974 1.0 
      0.35073972       0.64926028      -0.35073972 1.0 
      0.34195970       0.65804030      -0.34195970 1.0 
      0.33317969       0.66682031      -0.33317969 1.0 
      0.32439967       0.67560033      -0.32439967 1.0 
      0.32439967       0.67560033      -0.32439967 1.0 
      0.30637747       0.66584476      -0.30637747 1.0 
      0.28835526       0.65608918      -0.28835526 1.0 
      0.27033306       0.64633361      -0.27033306 1.0 
      0.25231085       0.63657803      -0.25231085 1.0 
      0.23428865       0.62682246      -0.23428865 1.0 
      0.21626645       0.61706689      -0.21626645 1.0 
      0.19824424       0.60731131      -0.19824424 1.0 
      0.18022204       0.59755574      -0.18022204 1.0 
      0.16219983       0.58780017      -0.16219983 1.0 
      0.14417763       0.57804459      -0.14417763 1.0 
      0.12615543       0.56828902      -0.12615543 1.0 
      0.10813322       0.55853344      -0.10813322 1.0 
      0.09011102       0.54877787      -0.09011102 1.0 
      0.07208882       0.53902230      -0.07208882 1.0 
      0.05406661       0.52926672      -0.05406661 1.0 
      0.03604441       0.51951115      -0.03604441 1.0 
      0.01802220       0.50975557      -0.01802220 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00862069       0.49137931       0.00862069 1.0 
      0.01724138       0.48275862       0.01724138 1.0 
      0.02586207       0.47413793       0.02586207 1.0 
      0.03448276       0.46551724       0.03448276 1.0 
      0.04310345       0.45689655       0.04310345 1.0 
      0.05172414       0.44827586       0.05172414 1.0 
      0.06034483       0.43965517       0.06034483 1.0 
      0.06896552       0.43103448       0.06896552 1.0 
      0.07758621       0.42241379       0.07758621 1.0 
      0.08620690       0.41379310       0.08620690 1.0 
      0.09482759       0.40517241       0.09482759 1.0 
      0.10344828       0.39655172       0.10344828 1.0 
      0.11206897       0.38793103       0.11206897 1.0 
      0.12068966       0.37931034       0.12068966 1.0 
      0.12931034       0.37068966       0.12931034 1.0 
      0.13793103       0.36206897       0.13793103 1.0 
      0.14655172       0.35344828       0.14655172 1.0 
      0.15517241       0.34482759       0.15517241 1.0 
      0.16379310       0.33620690       0.16379310 1.0 
      0.17241379       0.32758621       0.17241379 1.0 
      0.18103448       0.31896552       0.18103448 1.0 
      0.18965517       0.31034483       0.18965517 1.0 
      0.19827586       0.30172414       0.19827586 1.0 
      0.20689655       0.29310345       0.20689655 1.0 
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      0.28750000       0.28750000       0.19018010 1.0 
      0.30000000       0.30000000       0.17024013 1.0 
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      0.32500000       0.32500000       0.13036020 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 
      0.10937500       0.10937500       0.39062500 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      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 

