! Pwscf input file created with pymatgen.py 
! Compound: Cd2As3Br
&control
         calculation     = 'bands'
         prefix          = 'Cd2As3Br'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.8454417868352238
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.2741813894115213
         celldm(4)       =            0.1295087848151892
         celldm(5)       =            0.1295087848151892
         celldm(6)       =           -0.1263147406480163
         nat             =       12
         ntyp            =        3
         ecutwfc         =       50.00000000
         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
Cd 112.4110 Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
253
      0.00000000       0.00000000       0.00000000 1.0 
      0.01305664       0.01305664       0.00215458 1.0 
      0.02611327       0.02611327       0.00430915 1.0 
      0.03916991       0.03916991       0.00646373 1.0 
      0.05222655       0.05222655       0.00861830 1.0 
      0.06528318       0.06528318       0.01077288 1.0 
      0.07833982       0.07833982       0.01292746 1.0 
      0.09139646       0.09139646       0.01508203 1.0 
      0.10445309       0.10445309       0.01723661 1.0 
      0.11750973       0.11750973       0.01939118 1.0 
      0.13056637       0.13056637       0.02154576 1.0 
      0.14362300       0.14362300       0.02370034 1.0 
      0.15667964       0.15667964       0.02585491 1.0 
      0.16973628       0.16973628       0.02800949 1.0 
      0.18279291       0.18279291       0.03016406 1.0 
      0.19584955       0.19584955       0.03231864 1.0 
      0.20890619       0.20890619       0.03447321 1.0 
      0.22196282       0.22196282       0.03662779 1.0 
      0.23501946       0.23501946       0.03878237 1.0 
      0.24807610       0.24807610       0.04093694 1.0 
      0.26113273       0.26113273       0.04309152 1.0 
      0.27418937       0.27418937       0.04524609 1.0 
      0.28724601       0.28724601       0.04740067 1.0 
      0.30030264       0.30030264       0.04955525 1.0 
      0.31335928       0.31335928       0.05170982 1.0 
      0.32641592       0.32641592       0.05386440 1.0 
      0.33947255       0.33947255       0.05601897 1.0 
      0.35252919       0.35252919       0.05817355 1.0 
      0.36558583       0.36558583       0.06032813 1.0 
      0.37864246       0.37864246       0.06248270 1.0 
      0.39169910       0.39169910       0.06463728 1.0 
      0.40475574       0.40475574       0.06679185 1.0 
      0.41781237       0.41781237       0.06894643 1.0 
      0.43086901       0.43086901       0.07110101 1.0 
      0.44392565       0.44392565       0.07325558 1.0 
      0.44392565       0.44392565       0.07325558 1.0 
      0.44644727       0.44644727       0.09806473 1.0 
      0.44896889       0.44896889       0.12287388 1.0 
      0.45149051       0.45149051       0.14768303 1.0 
      0.45401213       0.45401213       0.17249218 1.0 
      0.45653375       0.45653375       0.19730133 1.0 
      0.45905537       0.45905537       0.22211048 1.0 
      0.46157700       0.46157700       0.24691963 1.0 
      0.46409862       0.46409862       0.27172878 1.0 
      0.46662024       0.46662024       0.29653793 1.0 
      0.46914186       0.46914186       0.32134708 1.0 
      0.47166348       0.47166348       0.34615623 1.0 
      0.47418510       0.47418510       0.37096538 1.0 
      0.47670672       0.47670672       0.39577452 1.0 
      0.47922834       0.47922834       0.42058367 1.0 
      0.48174996       0.48174996       0.44539282 1.0 
      0.48427159       0.48427159       0.47020197 1.0 
      0.48679321       0.48679321       0.49501112 1.0 
      0.48679321       0.48679321       0.49501112 1.0 
      0.47821970       0.47821970       0.51066001 1.0 
      0.46964618       0.46964618       0.52630891 1.0 
      0.46107267       0.46107267       0.54195780 1.0 
      0.45249916       0.45249916       0.55760669 1.0 
      0.44392565       0.44392565       0.57325558 1.0 
      0.43535213       0.43535213       0.58890447 1.0 
      0.42677862       0.42677862       0.60455337 1.0 
      0.41820511       0.41820511       0.62020226 1.0 
      0.40963160       0.40963160       0.63585115 1.0 
      0.40105809       0.40105809       0.65150004 1.0 
      0.40105809       0.40105809       0.65150004 1.0 
      0.38812073       0.38812073       0.64661294 1.0 
      0.37518337       0.37518337       0.64172584 1.0 
      0.36224601       0.36224601       0.63683875 1.0 
      0.34930866       0.34930866       0.63195165 1.0 
      0.33637130       0.33637130       0.62706455 1.0 
      0.32343394       0.32343394       0.62217745 1.0 
      0.31049658       0.31049658       0.61729035 1.0 
      0.29755923       0.29755923       0.61240326 1.0 
      0.28462187       0.28462187       0.60751616 1.0 
      0.27168451       0.27168451       0.60262906 1.0 
      0.25874715       0.25874715       0.59774196 1.0 
      0.24580980       0.24580980       0.59285486 1.0 
      0.23287244       0.23287244       0.58796777 1.0 
      0.21993508       0.21993508       0.58308067 1.0 
      0.20699772       0.20699772       0.57819357 1.0 
      0.19406036       0.19406036       0.57330647 1.0 
      0.18112301       0.18112301       0.56841937 1.0 
      0.16818565       0.16818565       0.56353228 1.0 
      0.15524829       0.15524829       0.55864518 1.0 
      0.14231093       0.14231093       0.55375808 1.0 
      0.12937358       0.12937358       0.54887098 1.0 
      0.11643622       0.11643622       0.54398388 1.0 
      0.10349886       0.10349886       0.53909678 1.0 
      0.09056150       0.09056150       0.53420969 1.0 
      0.07762415       0.07762415       0.52932259 1.0 
      0.06468679       0.06468679       0.52443549 1.0 
      0.05174943       0.05174943       0.51954839 1.0 
      0.03881207       0.03881207       0.51466129 1.0 
      0.02587472       0.02587472       0.50977420 1.0 
      0.01293736       0.01293736       0.50488710 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01470588      -0.01470588       0.50000000 1.0 
      0.02941176      -0.02941176       0.50000000 1.0 
      0.04411765      -0.04411765       0.50000000 1.0 
      0.05882353      -0.05882353       0.50000000 1.0 
      0.07352941      -0.07352941       0.50000000 1.0 
      0.08823529      -0.08823529       0.50000000 1.0 
      0.10294118      -0.10294118       0.50000000 1.0 
      0.11764706      -0.11764706       0.50000000 1.0 
      0.13235294      -0.13235294       0.50000000 1.0 
      0.14705882      -0.14705882       0.50000000 1.0 
      0.16176471      -0.16176471       0.50000000 1.0 
      0.17647059      -0.17647059       0.50000000 1.0 
      0.19117647      -0.19117647       0.50000000 1.0 
      0.20588235      -0.20588235       0.50000000 1.0 
      0.22058824      -0.22058824       0.50000000 1.0 
      0.23529412      -0.23529412       0.50000000 1.0 
      0.25000000      -0.25000000       0.50000000 1.0 
      0.26470588      -0.26470588       0.50000000 1.0 
      0.27941176      -0.27941176       0.50000000 1.0 
      0.29411765      -0.29411765       0.50000000 1.0 
      0.30882353      -0.30882353       0.50000000 1.0 
      0.32352941      -0.32352941       0.50000000 1.0 
      0.33823529      -0.33823529       0.50000000 1.0 
      0.35294118      -0.35294118       0.50000000 1.0 
      0.36764706      -0.36764706       0.50000000 1.0 
      0.38235294      -0.38235294       0.50000000 1.0 
      0.39705882      -0.39705882       0.50000000 1.0 
      0.41176471      -0.41176471       0.50000000 1.0 
      0.42647059      -0.42647059       0.50000000 1.0 
      0.44117647      -0.44117647       0.50000000 1.0 
      0.45588235      -0.45588235       0.50000000 1.0 
      0.47058824      -0.47058824       0.50000000 1.0 
      0.48529412      -0.48529412       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50660340      -0.49339660       0.50249444 1.0 
      0.51320679      -0.48679321       0.50498888 1.0 
      0.59894191      -0.40105809       0.34849996 1.0 
      0.59642029      -0.40357971       0.32369081 1.0 
      0.59389867      -0.40610133       0.29888166 1.0 
      0.59137705      -0.40862295       0.27407251 1.0 
      0.58885543      -0.41114457       0.24926336 1.0 
      0.58633381      -0.41366619       0.22445421 1.0 
      0.58381219      -0.41618781       0.19964506 1.0 
      0.58129056      -0.41870944       0.17483591 1.0 
      0.57876894      -0.42123106       0.15002676 1.0 
      0.57624732      -0.42375268       0.12521761 1.0 
      0.57372570      -0.42627430       0.10040846 1.0 
      0.57120408      -0.42879592       0.07559931 1.0 
      0.56868246      -0.43131754       0.05079017 1.0 
      0.56616084      -0.43383916       0.02598102 1.0 
      0.56363922      -0.43636078       0.00117187 1.0 
      0.56111760      -0.43888240      -0.02363728 1.0 
      0.55859597      -0.44140403      -0.04844643 1.0 
      0.55607435      -0.44392565      -0.07325558 1.0 
      0.55607435      -0.44392565      -0.07325558 1.0 
      0.54672863      -0.45327137      -0.06104632 1.0 
      0.53738290      -0.46261710      -0.04883705 1.0 
      0.52803718      -0.47196282      -0.03662779 1.0 
      0.51869145      -0.48130855      -0.02441853 1.0 
      0.50934573      -0.49065427      -0.01220926 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.48529412      -0.48529412       0.00000000 1.0 
      0.47058824      -0.47058824       0.00000000 1.0 
      0.45588235      -0.45588235       0.00000000 1.0 
      0.44117647      -0.44117647       0.00000000 1.0 
      0.42647059      -0.42647059       0.00000000 1.0 
      0.41176471      -0.41176471       0.00000000 1.0 
      0.39705882      -0.39705882       0.00000000 1.0 
      0.38235294      -0.38235294       0.00000000 1.0 
      0.36764706      -0.36764706       0.00000000 1.0 
      0.35294118      -0.35294118       0.00000000 1.0 
      0.33823529      -0.33823529       0.00000000 1.0 
      0.32352941      -0.32352941       0.00000000 1.0 
      0.30882353      -0.30882353       0.00000000 1.0 
      0.29411765      -0.29411765       0.00000000 1.0 
      0.27941176      -0.27941176       0.00000000 1.0 
      0.26470588      -0.26470588       0.00000000 1.0 
      0.25000000      -0.25000000       0.00000000 1.0 
      0.23529412      -0.23529412       0.00000000 1.0 
      0.22058824      -0.22058824       0.00000000 1.0 
      0.20588235      -0.20588235       0.00000000 1.0 
      0.19117647      -0.19117647       0.00000000 1.0 
      0.17647059      -0.17647059       0.00000000 1.0 
      0.16176471      -0.16176471       0.00000000 1.0 
      0.14705882      -0.14705882       0.00000000 1.0 
      0.13235294      -0.13235294       0.00000000 1.0 
      0.11764706      -0.11764706       0.00000000 1.0 
      0.10294118      -0.10294118       0.00000000 1.0 
      0.08823529      -0.08823529       0.00000000 1.0 
      0.07352941      -0.07352941       0.00000000 1.0 
      0.05882353      -0.05882353       0.00000000 1.0 
      0.04411765      -0.04411765       0.00000000 1.0 
      0.02941176      -0.02941176       0.00000000 1.0 
      0.01470588      -0.01470588       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01923077       0.00000000       0.00000000 1.0 
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      0.05769231       0.00000000       0.00000000 1.0 
      0.07692308       0.00000000       0.00000000 1.0 
      0.09615385       0.00000000       0.00000000 1.0 
      0.11538462       0.00000000       0.00000000 1.0 
      0.13461538       0.00000000       0.00000000 1.0 
      0.15384615       0.00000000       0.00000000 1.0 
      0.17307692       0.00000000       0.00000000 1.0 
      0.19230769       0.00000000       0.00000000 1.0 
      0.21153846       0.00000000      -0.00000000 1.0 
      0.23076923       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26923077       0.00000000       0.00000000 1.0 
      0.28846154       0.00000000       0.00000000 1.0 
      0.30769231       0.00000000       0.00000000 1.0 
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      0.34615385       0.00000000       0.00000000 1.0 
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      0.38461538       0.00000000       0.00000000 1.0 
      0.40384615       0.00000000       0.00000000 1.0 
      0.42307692       0.00000000      -0.00000000 1.0 
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      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
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      0.45161290       0.00000000       0.45161290 1.0 
      0.43548387       0.00000000       0.43548387 1.0 
      0.41935484       0.00000000       0.41935484 1.0 
      0.40322581       0.00000000       0.40322581 1.0 
      0.38709677       0.00000000       0.38709677 1.0 
      0.37096774       0.00000000       0.37096774 1.0 
      0.35483871       0.00000000       0.35483871 1.0 
      0.33870968       0.00000000       0.33870968 1.0 
      0.32258065       0.00000000       0.32258065 1.0 
      0.30645161       0.00000000       0.30645161 1.0 
      0.29032258       0.00000000       0.29032258 1.0 
      0.27419355       0.00000000       0.27419355 1.0 
      0.25806452       0.00000000       0.25806452 1.0 
      0.24193548       0.00000000       0.24193548 1.0 
      0.22580645       0.00000000       0.22580645 1.0 
      0.20967742       0.00000000       0.20967742 1.0 
      0.19354839       0.00000000       0.19354839 1.0 
      0.17741935       0.00000000       0.17741935 1.0 
      0.16129032       0.00000000       0.16129032 1.0 
      0.14516129       0.00000000       0.14516129 1.0 
      0.12903226       0.00000000       0.12903226 1.0 
      0.11290323      -0.00000000       0.11290323 1.0 
      0.09677419       0.00000000       0.09677419 1.0 
      0.08064516       0.00000000       0.08064516 1.0 
      0.06451613       0.00000000       0.06451613 1.0 
      0.04838710      -0.00000000       0.04838710 1.0 
      0.03225806       0.00000000       0.03225806 1.0 
      0.01612903      -0.00000000       0.01612903 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

