! Pwscf input file created with ciftopw.py 
! Compound: BaCa(CO3)2
&control
         calculation     = 'bands'
         prefix          = 'BaCaxCO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.8643696625799997
         celldm(2)       =            1.2605363984674329
         celldm(3)       =            1.5613026819923363
         celldm(4)       =            0.1128563848734820
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        4
         ecutwfc         =       47.00000000
         ecutrho         =      327.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 C  12.0107 C.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
230
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02500000 1.0 
      0.00000000       0.00000000       0.05000000 1.0 
      0.00000000       0.00000000       0.07500000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.17500000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.22500000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27500000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.32500000 1.0 
      0.00000000       0.00000000       0.35000000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.42500000 1.0 
      0.00000000       0.00000000       0.45000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02092294       0.50292470 1.0 
      0.00000000       0.04184588       0.50584939 1.0 
      0.00000000       0.06276883       0.50877409 1.0 
      0.00000000       0.08369177       0.51169878 1.0 
      0.00000000       0.10461471       0.51462348 1.0 
      0.00000000       0.12553765       0.51754817 1.0 
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      0.00000000       0.25107530       0.53509634 1.0 
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      0.00000000       0.47022854       0.54825747 1.0 
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      0.01612903       0.50000000       0.50000000 1.0 
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      0.11290323       0.50000000       0.50000000 1.0 
      0.12903226       0.50000000       0.50000000 1.0 
      0.14516129       0.50000000       0.50000000 1.0 
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      0.17741935       0.50000000       0.50000000 1.0 
      0.19354839       0.50000000       0.50000000 1.0 
      0.20967742       0.50000000       0.50000000 1.0 
      0.22580645       0.50000000       0.50000000 1.0 
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      0.25806452       0.50000000       0.50000000 1.0 
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      0.29032258       0.50000000       0.50000000 1.0 
      0.30645161       0.50000000       0.50000000 1.0 
      0.32258065       0.50000000       0.50000000 1.0 
      0.33870968       0.50000000       0.50000000 1.0 
      0.35483871       0.50000000       0.50000000 1.0 
      0.37096774       0.50000000       0.50000000 1.0 
      0.38709677       0.50000000       0.50000000 1.0 
      0.40322581       0.50000000       0.50000000 1.0 
      0.41935484       0.50000000       0.50000000 1.0 
      0.43548387       0.50000000       0.50000000 1.0 
      0.45161290       0.50000000       0.50000000 1.0 
      0.46774194       0.50000000       0.50000000 1.0 
      0.48387097       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50992382       0.48391418 1.0 
      0.50000000       0.51984764       0.46782835 1.0 
      0.50000000       0.52977146       0.45174253 1.0 
      0.50000000       0.53969528       0.43565671 1.0 
      0.50000000       0.53969528       0.43565671 1.0 
      0.50000000       0.53736026       0.41002984 1.0 
      0.50000000       0.53502524       0.38440298 1.0 
      0.50000000       0.53269023       0.35877611 1.0 
      0.50000000       0.53035521       0.33314925 1.0 
      0.50000000       0.52802019       0.30752238 1.0 
      0.50000000       0.52568518       0.28189552 1.0 
      0.50000000       0.52335016       0.25626865 1.0 
      0.50000000       0.52101515       0.23064179 1.0 
      0.50000000       0.51868013       0.20501492 1.0 
      0.50000000       0.51634511       0.17938806 1.0 
      0.50000000       0.51401010       0.15376119 1.0 
      0.50000000       0.51167508       0.12813433 1.0 
      0.50000000       0.50934006       0.10250746 1.0 
      0.50000000       0.50700505       0.07688060 1.0 
      0.50000000       0.50467003       0.05125373 1.0 
      0.50000000       0.50233502       0.02562687 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48387097       0.50000000       0.00000000 1.0 
      0.46774194       0.50000000       0.00000000 1.0 
      0.45161290       0.50000000       0.00000000 1.0 
      0.43548387       0.50000000       0.00000000 1.0 
      0.41935484       0.50000000       0.00000000 1.0 
      0.40322581       0.50000000       0.00000000 1.0 
      0.38709677       0.50000000       0.00000000 1.0 
      0.37096774       0.50000000       0.00000000 1.0 
      0.35483871       0.50000000       0.00000000 1.0 
      0.33870968       0.50000000       0.00000000 1.0 
      0.32258065       0.50000000       0.00000000 1.0 
      0.30645161       0.50000000       0.00000000 1.0 
      0.29032258       0.50000000       0.00000000 1.0 
      0.27419355       0.50000000       0.00000000 1.0 
      0.25806452       0.50000000       0.00000000 1.0 
      0.24193548       0.50000000       0.00000000 1.0 
      0.22580645       0.50000000       0.00000000 1.0 
      0.20967742       0.50000000       0.00000000 1.0 
      0.19354839       0.50000000       0.00000000 1.0 
      0.17741935       0.50000000       0.00000000 1.0 
      0.16129032       0.50000000       0.00000000 1.0 
      0.14516129       0.50000000       0.00000000 1.0 
      0.12903226       0.50000000       0.00000000 1.0 
      0.11290323       0.50000000       0.00000000 1.0 
      0.09677419       0.50000000       0.00000000 1.0 
      0.08064516       0.50000000       0.00000000 1.0 
      0.06451613       0.50000000       0.00000000 1.0 
      0.04838710       0.50000000       0.00000000 1.0 
      0.03225806       0.50000000       0.00000000 1.0 
      0.01612903       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50233502       0.02562687 1.0 
      0.00000000       0.50467003       0.05125373 1.0 
      0.00000000       0.50700505       0.07688060 1.0 
      0.00000000       0.50934006       0.10250746 1.0 
      0.00000000       0.51167508       0.12813433 1.0 
      0.00000000       0.51401010       0.15376119 1.0 
      0.00000000       0.51634511       0.17938806 1.0 
      0.00000000       0.51868013       0.20501492 1.0 
      0.00000000       0.52101515       0.23064179 1.0 
      0.00000000       0.52335016       0.25626865 1.0 
      0.00000000       0.52568518       0.28189552 1.0 
      0.00000000       0.52802019       0.30752238 1.0 
      0.00000000       0.53035521       0.33314925 1.0 
      0.00000000       0.53269023       0.35877611 1.0 
      0.00000000       0.53502524       0.38440298 1.0 
      0.00000000       0.53736026       0.41002984 1.0 
      0.00000000       0.53969528       0.43565671 1.0 
      0.50000000       0.46030472       0.56434329 1.0 
      0.50000000       0.43938178       0.56141860 1.0 
      0.50000000       0.41845884       0.55849390 1.0 
      0.50000000       0.39753590       0.55556921 1.0 
      0.50000000       0.37661296       0.55264451 1.0 
      0.50000000       0.35569001       0.54971982 1.0 
      0.50000000       0.33476707       0.54679512 1.0 
      0.50000000       0.31384413       0.54387043 1.0 
      0.50000000       0.29292119       0.54094573 1.0 
      0.50000000       0.27199825       0.53802104 1.0 
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      0.50000000       0.18830648       0.52632226 1.0 
      0.50000000       0.16738354       0.52339756 1.0 
      0.50000000       0.14646059       0.52047287 1.0 
      0.50000000       0.12553765       0.51754817 1.0 
      0.50000000       0.10461471       0.51462348 1.0 
      0.50000000       0.08369177       0.51169878 1.0 
      0.50000000       0.06276883       0.50877409 1.0 
      0.50000000       0.04184588       0.50584939 1.0 
      0.50000000       0.02092294       0.50292470 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47500000 1.0 
      0.50000000       0.00000000       0.45000000 1.0 
      0.50000000       0.00000000       0.42500000 1.0 
      0.50000000       0.00000000       0.40000000 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.35000000 1.0 
      0.50000000       0.00000000       0.32500000 1.0 
      0.50000000       0.00000000       0.30000000 1.0 
      0.50000000       0.00000000       0.27500000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22500000 1.0 
      0.50000000       0.00000000       0.20000000 1.0 
      0.50000000       0.00000000       0.17500000 1.0 
      0.50000000       0.00000000       0.15000000 1.0 
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      0.50000000       0.00000000       0.10000000 1.0 
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      0.50000000       0.00000000       0.05000000 1.0 
      0.50000000       0.00000000       0.02500000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01612903       0.00000000       0.50000000 1.0 
      0.03225806       0.00000000       0.50000000 1.0 
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      0.06451613       0.00000000       0.50000000 1.0 
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      0.17741935       0.00000000       0.50000000 1.0 
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      0.20967742       0.00000000       0.50000000 1.0 
      0.22580645       0.00000000       0.50000000 1.0 
      0.24193548       0.00000000       0.50000000 1.0 
      0.25806452       0.00000000       0.50000000 1.0 
      0.27419355       0.00000000       0.50000000 1.0 
      0.29032258       0.00000000       0.50000000 1.0 
      0.30645161       0.00000000       0.50000000 1.0 
      0.32258065       0.00000000       0.50000000 1.0 
      0.33870968       0.00000000       0.50000000 1.0 
      0.35483871       0.00000000       0.50000000 1.0 
      0.37096774       0.00000000       0.50000000 1.0 
      0.38709677       0.00000000       0.50000000 1.0 
      0.40322581       0.00000000       0.50000000 1.0 
      0.41935484       0.00000000       0.50000000 1.0 
      0.43548387       0.00000000       0.50000000 1.0 
      0.45161290       0.00000000       0.50000000 1.0 
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      0.48387097       0.00000000       0.50000000 1.0 
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