! Pwscf input file created with ciftopw.py 
! Compound: Ba(CuSe)2
&control
         calculation     = 'bands'
         prefix          = 'BaxCuSex2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.5778032094680725
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.8419220167897785
         celldm(5)       =           -0.8419220167897785
         celldm(6)       =            0.6838440335795571
         nat             =        5
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      237.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
338
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.00909091 1.0 
      0.00000000      -0.00000000       0.01818182 1.0 
      0.00000000       0.00000000       0.02727273 1.0 
      0.00000000      -0.00000000       0.03636364 1.0 
     -0.00000000       0.00000000       0.04545455 1.0 
      0.00000000       0.00000000       0.05454545 1.0 
      0.00000000       0.00000000       0.06363636 1.0 
      0.00000000      -0.00000000       0.07272727 1.0 
      0.00000000      -0.00000000       0.08181818 1.0 
     -0.00000000       0.00000000       0.09090909 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.10909091 1.0 
      0.00000000       0.00000000       0.11818182 1.0 
      0.00000000       0.00000000       0.12727273 1.0 
      0.00000000       0.00000000       0.13636364 1.0 
      0.00000000      -0.00000000       0.14545455 1.0 
      0.00000000      -0.00000000       0.15454545 1.0 
      0.00000000      -0.00000000       0.16363636 1.0 
      0.00000000       0.00000000       0.17272727 1.0 
     -0.00000000       0.00000000       0.18181818 1.0 
      0.00000000       0.00000000       0.19090909 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.20909091 1.0 
      0.00000000       0.00000000       0.21818182 1.0 
      0.00000000       0.00000000       0.22727273 1.0 
      0.00000000       0.00000000       0.23636364 1.0 
      0.00000000       0.00000000       0.24545455 1.0 
      0.00000000       0.00000000       0.25454545 1.0 
      0.00000000       0.00000000       0.26363636 1.0 
      0.00000000       0.00000000       0.27272727 1.0 
      0.00000000       0.00000000       0.28181818 1.0 
      0.00000000      -0.00000000       0.29090909 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000      -0.00000000       0.30909091 1.0 
      0.00000000       0.00000000       0.31818182 1.0 
      0.00000000      -0.00000000       0.32727273 1.0 
      0.00000000      -0.00000000       0.33636364 1.0 
      0.00000000       0.00000000       0.34545455 1.0 
      0.00000000       0.00000000       0.35454545 1.0 
     -0.00000000       0.00000000       0.36363636 1.0 
      0.00000000      -0.00000000       0.37272727 1.0 
      0.00000000       0.00000000       0.38181818 1.0 
      0.00000000       0.00000000       0.39090909 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.40909091 1.0 
      0.00000000       0.00000000       0.41818182 1.0 
      0.00000000       0.00000000       0.42727273 1.0 
      0.00000000       0.00000000       0.43636364 1.0 
      0.00000000      -0.00000000       0.44545455 1.0 
      0.00000000       0.00000000       0.45454545 1.0 
      0.00000000      -0.00000000       0.46363636 1.0 
      0.00000000       0.00000000       0.47272727 1.0 
      0.00000000      -0.00000000       0.48181818 1.0 
      0.00000000       0.00000000       0.49090909 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.00782327       0.00782327       0.50000000 1.0 
     -0.01564654       0.01564654       0.50000000 1.0 
     -0.02346981       0.02346981       0.50000000 1.0 
     -0.03129308       0.03129308       0.50000000 1.0 
     -0.03911635       0.03911635       0.50000000 1.0 
     -0.04693962       0.04693962       0.50000000 1.0 
     -0.04693962       0.04693962       0.50000000 1.0 
     -0.05323212       0.05323212       0.49370749 1.0 
     -0.05952463       0.05952463       0.48741499 1.0 
     -0.06581713       0.06581713       0.48112248 1.0 
     -0.07210964       0.07210964       0.47482998 1.0 
     -0.07840214       0.07840214       0.46853747 1.0 
     -0.08469465       0.08469465       0.46224497 1.0 
     -0.09098715       0.09098715       0.45595246 1.0 
     -0.09727966       0.09727966       0.44965996 1.0 
     -0.10357216       0.10357216       0.44336745 1.0 
     -0.10986467       0.10986467       0.43707495 1.0 
     -0.11615717       0.11615717       0.43078244 1.0 
     -0.12244968       0.12244968       0.42448994 1.0 
     -0.12874218       0.12874218       0.41819743 1.0 
     -0.13503469       0.13503469       0.41190493 1.0 
     -0.14132720       0.14132720       0.40561242 1.0 
     -0.14761970       0.14761970       0.39931991 1.0 
     -0.15391221       0.15391221       0.39302741 1.0 
     -0.16020471       0.16020471       0.38673490 1.0 
     -0.16649722       0.16649722       0.38044240 1.0 
     -0.17278972       0.17278972       0.37414989 1.0 
     -0.17908223       0.17908223       0.36785739 1.0 
     -0.18537473       0.18537473       0.36156488 1.0 
     -0.19166724       0.19166724       0.35527238 1.0 
     -0.19795974       0.19795974       0.34897987 1.0 
     -0.20425225       0.20425225       0.34268737 1.0 
     -0.21054475       0.21054475       0.33639486 1.0 
     -0.21683726       0.21683726       0.33010236 1.0 
     -0.22312977       0.22312977       0.32380985 1.0 
     -0.22942227       0.22942227       0.31751735 1.0 
     -0.23571478       0.23571478       0.31122484 1.0 
     -0.24200728       0.24200728       0.30493233 1.0 
     -0.24829979       0.24829979       0.29863983 1.0 
     -0.25459229       0.25459229       0.29234732 1.0 
     -0.26088480       0.26088480       0.28605482 1.0 
     -0.26717730       0.26717730       0.27976231 1.0 
     -0.27346981       0.27346981       0.27346981 1.0 
     -0.27346981       0.27346981       0.27346981 1.0 
     -0.26711004       0.26711004       0.26711004 1.0 
     -0.26075028       0.26075028       0.26075028 1.0 
     -0.25439052       0.25439052       0.25439052 1.0 
     -0.24803076       0.24803076       0.24803076 1.0 
     -0.24167099       0.24167099       0.24167099 1.0 
     -0.23531123       0.23531123       0.23531123 1.0 
     -0.22895147       0.22895147       0.22895147 1.0 
     -0.22259170       0.22259170       0.22259170 1.0 
     -0.21623194       0.21623194       0.21623194 1.0 
     -0.20987218       0.20987218       0.20987218 1.0 
     -0.20351242       0.20351242       0.20351242 1.0 
     -0.19715265       0.19715265       0.19715265 1.0 
     -0.19079289       0.19079289       0.19079289 1.0 
     -0.18443313       0.18443313       0.18443313 1.0 
     -0.17807336       0.17807336       0.17807336 1.0 
     -0.17171360       0.17171360       0.17171360 1.0 
     -0.16535384       0.16535384       0.16535384 1.0 
     -0.15899407       0.15899407       0.15899407 1.0 
     -0.15263431       0.15263431       0.15263431 1.0 
     -0.14627455       0.14627455       0.14627455 1.0 
     -0.13991479       0.13991479       0.13991479 1.0 
     -0.13355502       0.13355502       0.13355502 1.0 
     -0.12719526       0.12719526       0.12719526 1.0 
     -0.12083550       0.12083550       0.12083550 1.0 
     -0.11447573       0.11447573       0.11447573 1.0 
     -0.10811597       0.10811597       0.10811597 1.0 
     -0.10175621       0.10175621       0.10175621 1.0 
     -0.09539644       0.09539644       0.09539644 1.0 
     -0.08903668       0.08903668       0.08903668 1.0 
     -0.08267692       0.08267692       0.08267692 1.0 
     -0.07631716       0.07631716       0.07631716 1.0 
     -0.06995739       0.06995739       0.06995739 1.0 
     -0.06359763       0.06359763       0.06359763 1.0 
     -0.05723787       0.05723787       0.05723787 1.0 
     -0.05087810       0.05087810       0.05087810 1.0 
     -0.04451834       0.04451834       0.04451834 1.0 
     -0.03815858       0.03815858       0.03815858 1.0 
     -0.03179881       0.03179881       0.03179881 1.0 
     -0.02543905       0.02543905       0.02543905 1.0 
     -0.01907929       0.01907929       0.01907929 1.0 
     -0.01271953       0.01271953       0.01271953 1.0 
     -0.00635976       0.00635976       0.00635976 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02083333       0.02083333      -0.02083333 1.0 
      0.04166667       0.04166667      -0.04166667 1.0 
      0.06250000       0.06250000      -0.06250000 1.0 
      0.08333333       0.08333333      -0.08333333 1.0 
      0.10416667       0.10416667      -0.10416667 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.14583333       0.14583333      -0.14583333 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.18750000       0.18750000      -0.18750000 1.0 
      0.20833333       0.20833333      -0.20833333 1.0 
      0.22916667       0.22916667      -0.22916667 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.27083333       0.27083333      -0.27083333 1.0 
      0.29166667       0.29166667      -0.29166667 1.0 
      0.31250000       0.31250000      -0.31250000 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.35416667       0.35416667      -0.35416667 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.39583333       0.39583333      -0.39583333 1.0 
      0.41666667       0.41666667      -0.41666667 1.0 
      0.43750000       0.43750000      -0.43750000 1.0 
      0.45833333       0.45833333      -0.45833333 1.0 
      0.47916667       0.47916667      -0.47916667 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49370749       0.50629251      -0.49370749 1.0 
      0.48741499       0.51258501      -0.48741499 1.0 
      0.48112248       0.51887752      -0.48112248 1.0 
      0.47482998       0.52517002      -0.47482998 1.0 
      0.46853747       0.53146253      -0.46853747 1.0 
      0.46224497       0.53775503      -0.46224497 1.0 
      0.45595246       0.54404754      -0.45595246 1.0 
      0.44965996       0.55034004      -0.44965996 1.0 
      0.44336745       0.55663255      -0.44336745 1.0 
      0.43707495       0.56292505      -0.43707495 1.0 
      0.43078244       0.56921756      -0.43078244 1.0 
      0.42448994       0.57551006      -0.42448994 1.0 
      0.41819743       0.58180257      -0.41819743 1.0 
      0.41190493       0.58809507      -0.41190493 1.0 
      0.40561242       0.59438758      -0.40561242 1.0 
      0.39931991       0.60068009      -0.39931991 1.0 
      0.39302741       0.60697259      -0.39302741 1.0 
      0.38673490       0.61326510      -0.38673490 1.0 
      0.38044240       0.61955760      -0.38044240 1.0 
      0.37414989       0.62585011      -0.37414989 1.0 
      0.36785739       0.63214261      -0.36785739 1.0 
      0.36156488       0.63843512      -0.36156488 1.0 
      0.35527238       0.64472762      -0.35527238 1.0 
      0.34897987       0.65102013      -0.34897987 1.0 
      0.34268737       0.65731263      -0.34268737 1.0 
      0.33639486       0.66360514      -0.33639486 1.0 
      0.33010236       0.66989764      -0.33010236 1.0 
      0.32380985       0.67619015      -0.32380985 1.0 
      0.31751735       0.68248265      -0.31751735 1.0 
      0.31122484       0.68877516      -0.31122484 1.0 
      0.30493233       0.69506767      -0.30493233 1.0 
      0.29863983       0.70136017      -0.29863983 1.0 
      0.29234732       0.70765268      -0.29234732 1.0 
      0.28605482       0.71394518      -0.28605482 1.0 
      0.27976231       0.72023769      -0.27976231 1.0 
      0.27346981       0.72653019      -0.27346981 1.0 
      0.27346981       0.72653019      -0.27346981 1.0 
      0.25243367       0.70910479      -0.25243367 1.0 
      0.23139753       0.69167939      -0.23139753 1.0 
      0.21036139       0.67425399      -0.21036139 1.0 
      0.18932525       0.65682859      -0.18932525 1.0 
      0.16828911       0.63940320      -0.16828911 1.0 
      0.14725297       0.62197780      -0.14725297 1.0 
      0.12621683       0.60455240      -0.12621683 1.0 
      0.10518070       0.58712700      -0.10518070 1.0 
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      0.04207228       0.53485080      -0.04207228 1.0 
      0.02103614       0.51742540      -0.02103614 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00641026       0.49358974       0.00641026 1.0 
      0.01282051       0.48717949       0.01282051 1.0 
      0.01923077       0.48076923       0.01923077 1.0 
      0.02564103       0.47435897       0.02564103 1.0 
      0.03205128       0.46794872       0.03205128 1.0 
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      0.04487179       0.45512821       0.04487179 1.0 
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      0.06410256       0.43589744       0.06410256 1.0 
      0.07051282       0.42948718       0.07051282 1.0 
      0.07692308       0.42307692       0.07692308 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
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      0.10256410       0.39743590       0.10256410 1.0 
      0.10897436       0.39102564       0.10897436 1.0 
      0.11538462       0.38461538       0.11538462 1.0 
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      0.14102564       0.35897436       0.14102564 1.0 
      0.14743590       0.35256410       0.14743590 1.0 
      0.15384615       0.34615385       0.15384615 1.0 
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      0.19871795       0.30128205       0.19871795 1.0 
      0.20512821       0.29487179       0.20512821 1.0 
      0.21153846       0.28846154       0.21153846 1.0 
      0.21794872       0.28205128       0.21794872 1.0 
      0.22435897       0.27564103       0.22435897 1.0 
      0.23076923       0.26923077       0.23076923 1.0 
      0.23717949       0.26282051       0.23717949 1.0 
      0.24358974       0.25641026       0.24358974 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
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      0.26923077       0.26923077       0.22715849 1.0 
      0.28846154       0.28846154       0.20431698 1.0 
      0.30769231       0.30769231       0.18147547 1.0 
      0.32692308       0.32692308       0.15863396 1.0 
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      0.40384615       0.40384615       0.06726793 1.0 
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      0.00000000      -0.00000000       0.50000000 1.0 
      0.02083333       0.02083333       0.47916667 1.0 
      0.04166667       0.04166667       0.45833333 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.08333333       0.08333333       0.41666667 1.0 
      0.10416667       0.10416667       0.39583333 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14583333       0.14583333       0.35416667 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.20833333       0.20833333       0.29166667 1.0 
      0.22916667       0.22916667       0.27083333 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

