! Pwscf input file created with ciftopw.py 
! Compound: SrCa(CO3)2
&control
         calculation     = 'bands'
         prefix          = 'SrCaxCO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.8530313066460007
         celldm(2)       =            1.2332182585347140
         celldm(3)       =            1.4002685078634445
         celldm(4)       =            0.0000000000000001
         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 
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 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
324
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.00000000       0.00000000 1.0 
      0.03225806       0.00000000       0.00000000 1.0 
      0.04838710       0.00000000       0.00000000 1.0 
      0.06451613       0.00000000       0.00000000 1.0 
      0.08064516       0.00000000       0.00000000 1.0 
      0.09677419       0.00000000       0.00000000 1.0 
      0.11290323      -0.00000000       0.00000000 1.0 
      0.12903226       0.00000000       0.00000000 1.0 
      0.14516129       0.00000000       0.00000000 1.0 
      0.16129032       0.00000000       0.00000000 1.0 
      0.17741935       0.00000000       0.00000000 1.0 
      0.19354839       0.00000000       0.00000000 1.0 
      0.20967742       0.00000000       0.00000000 1.0 
      0.22580645      -0.00000000       0.00000000 1.0 
      0.24193548      -0.00000000       0.00000000 1.0 
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      0.33870968       0.00000000       0.00000000 1.0 
      0.35483871       0.00000000       0.00000000 1.0 
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      0.38709677       0.00000000       0.00000000 1.0 
      0.40322581       0.00000000       0.00000000 1.0 
      0.41935484       0.00000000       0.00000000 1.0 
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      0.45161290      -0.00000000       0.00000000 1.0 
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      0.48387097      -0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
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      0.50000000       0.04000000       0.00000000 1.0 
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      0.50000000       0.28000000       0.00000000 1.0 
      0.50000000       0.30000000       0.00000000 1.0 
      0.50000000       0.32000000       0.00000000 1.0 
      0.50000000       0.34000000       0.00000000 1.0 
      0.50000000       0.36000000       0.00000000 1.0 
      0.50000000       0.38000000       0.00000000 1.0 
      0.50000000       0.40000000       0.00000000 1.0 
      0.50000000       0.42000000       0.00000000 1.0 
      0.50000000       0.44000000       0.00000000 1.0 
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      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 
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      0.11290323       0.50000000       0.00000000 1.0 
      0.09677419       0.50000000       0.00000000 1.0 
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      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       0.48000000       0.00000000 1.0 
      0.00000000       0.46000000       0.00000000 1.0 
      0.00000000       0.44000000       0.00000000 1.0 
      0.00000000       0.42000000       0.00000000 1.0 
      0.00000000       0.40000000       0.00000000 1.0 
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      0.00000000       0.36000000       0.00000000 1.0 
      0.00000000       0.34000000       0.00000000 1.0 
      0.00000000       0.32000000       0.00000000 1.0 
      0.00000000       0.30000000       0.00000000 1.0 
      0.00000000       0.28000000       0.00000000 1.0 
      0.00000000       0.26000000       0.00000000 1.0 
      0.00000000       0.24000000       0.00000000 1.0 
      0.00000000       0.22000000       0.00000000 1.0 
      0.00000000       0.20000000       0.00000000 1.0 
      0.00000000       0.18000000       0.00000000 1.0 
      0.00000000       0.16000000       0.00000000 1.0 
      0.00000000       0.14000000       0.00000000 1.0 
      0.00000000       0.12000000       0.00000000 1.0 
      0.00000000       0.10000000       0.00000000 1.0 
      0.00000000       0.08000000       0.00000000 1.0 
      0.00000000       0.06000000       0.00000000 1.0 
      0.00000000       0.04000000       0.00000000 1.0 
      0.00000000       0.02000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000       0.00000000       0.02272727 1.0 
     -0.00000000       0.00000000       0.04545455 1.0 
      0.00000000      -0.00000000       0.06818182 1.0 
     -0.00000000       0.00000000       0.09090909 1.0 
     -0.00000000      -0.00000000       0.11363636 1.0 
      0.00000000      -0.00000000       0.13636364 1.0 
     -0.00000000      -0.00000000       0.15909091 1.0 
     -0.00000000       0.00000000       0.18181818 1.0 
     -0.00000000      -0.00000000       0.20454545 1.0 
     -0.00000000      -0.00000000       0.22727273 1.0 
      0.00000000      -0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.27272727 1.0 
      0.00000000      -0.00000000       0.29545455 1.0 
     -0.00000000      -0.00000000       0.31818182 1.0 
     -0.00000000      -0.00000000       0.34090909 1.0 
     -0.00000000       0.00000000       0.36363636 1.0 
     -0.00000000      -0.00000000       0.38636364 1.0 
     -0.00000000      -0.00000000       0.40909091 1.0 
     -0.00000000      -0.00000000       0.43181818 1.0 
     -0.00000000      -0.00000000       0.45454545 1.0 
     -0.00000000      -0.00000000       0.47727273 1.0 
      0.00000000      -0.00000000       0.50000000 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 
      0.04838710      -0.00000000       0.50000000 1.0 
      0.06451613      -0.00000000       0.50000000 1.0 
      0.08064516      -0.00000000       0.50000000 1.0 
      0.09677419      -0.00000000       0.50000000 1.0 
      0.11290323      -0.00000000       0.50000000 1.0 
      0.12903226      -0.00000000       0.50000000 1.0 
      0.14516129      -0.00000000       0.50000000 1.0 
      0.16129032       0.00000000       0.50000000 1.0 
      0.17741935      -0.00000000       0.50000000 1.0 
      0.19354839       0.00000000       0.50000000 1.0 
      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 
      0.46774194       0.00000000       0.50000000 1.0 
      0.48387097       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.02000000       0.50000000 1.0 
      0.50000000       0.04000000       0.50000000 1.0 
      0.50000000       0.06000000       0.50000000 1.0 
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      0.50000000       0.10000000       0.50000000 1.0 
      0.50000000       0.12000000       0.50000000 1.0 
      0.50000000       0.14000000       0.50000000 1.0 
      0.50000000       0.16000000       0.50000000 1.0 
      0.50000000       0.18000000       0.50000000 1.0 
      0.50000000       0.20000000       0.50000000 1.0 
      0.50000000       0.22000000       0.50000000 1.0 
      0.50000000       0.24000000       0.50000000 1.0 
      0.50000000       0.26000000       0.50000000 1.0 
      0.50000000       0.28000000       0.50000000 1.0 
      0.50000000       0.30000000       0.50000000 1.0 
      0.50000000       0.32000000       0.50000000 1.0 
      0.50000000       0.34000000       0.50000000 1.0 
      0.50000000       0.36000000       0.50000000 1.0 
      0.50000000       0.38000000       0.50000000 1.0 
      0.50000000       0.40000000       0.50000000 1.0 
      0.50000000       0.42000000       0.50000000 1.0 
      0.50000000       0.44000000       0.50000000 1.0 
      0.50000000       0.46000000       0.50000000 1.0 
      0.50000000       0.48000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48387097       0.50000000       0.50000000 1.0 
      0.46774194       0.50000000       0.50000000 1.0 
      0.45161290       0.50000000       0.50000000 1.0 
      0.43548387       0.50000000       0.50000000 1.0 
      0.41935484       0.50000000       0.50000000 1.0 
      0.40322581       0.50000000       0.50000000 1.0 
      0.38709677       0.50000000       0.50000000 1.0 
      0.37096774       0.50000000       0.50000000 1.0 
      0.35483871       0.50000000       0.50000000 1.0 
      0.33870968       0.50000000       0.50000000 1.0 
      0.32258065       0.50000000       0.50000000 1.0 
      0.30645161       0.50000000       0.50000000 1.0 
      0.29032258       0.50000000       0.50000000 1.0 
      0.27419355       0.50000000       0.50000000 1.0 
      0.25806452       0.50000000       0.50000000 1.0 
      0.24193548       0.50000000       0.50000000 1.0 
      0.22580645       0.50000000       0.50000000 1.0 
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      0.19354839       0.50000000       0.50000000 1.0 
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      0.16129032       0.50000000       0.50000000 1.0 
      0.14516129       0.50000000       0.50000000 1.0 
      0.12903226       0.50000000       0.50000000 1.0 
      0.11290323       0.50000000       0.50000000 1.0 
      0.09677419       0.50000000       0.50000000 1.0 
      0.08064516       0.50000000       0.50000000 1.0 
      0.06451613       0.50000000       0.50000000 1.0 
      0.04838710       0.50000000       0.50000000 1.0 
      0.03225806       0.50000000       0.50000000 1.0 
      0.01612903       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
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      0.00000000       0.48000000       0.50000000 1.0 
      0.00000000       0.46000000       0.50000000 1.0 
      0.00000000       0.44000000       0.50000000 1.0 
      0.00000000       0.42000000       0.50000000 1.0 
      0.00000000       0.40000000       0.50000000 1.0 
      0.00000000       0.38000000       0.50000000 1.0 
      0.00000000       0.36000000       0.50000000 1.0 
      0.00000000       0.34000000       0.50000000 1.0 
      0.00000000       0.32000000       0.50000000 1.0 
      0.00000000       0.30000000       0.50000000 1.0 
      0.00000000       0.28000000       0.50000000 1.0 
      0.00000000       0.26000000       0.50000000 1.0 
      0.00000000       0.24000000       0.50000000 1.0 
      0.00000000       0.22000000       0.50000000 1.0 
      0.00000000       0.20000000       0.50000000 1.0 
      0.00000000       0.18000000       0.50000000 1.0 
      0.00000000       0.16000000       0.50000000 1.0 
      0.00000000       0.14000000       0.50000000 1.0 
      0.00000000       0.12000000       0.50000000 1.0 
      0.00000000       0.10000000       0.50000000 1.0 
      0.00000000       0.08000000       0.50000000 1.0 
      0.00000000       0.06000000       0.50000000 1.0 
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     -0.00000000       0.50000000       0.02272727 1.0 
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      0.00000000       0.50000000       0.06818182 1.0 
     -0.00000000       0.50000000       0.09090909 1.0 
     -0.00000000       0.50000000       0.11363636 1.0 
      0.00000000       0.50000000       0.13636364 1.0 
     -0.00000000       0.50000000       0.15909091 1.0 
     -0.00000000       0.50000000       0.18181818 1.0 
     -0.00000000       0.50000000       0.20454545 1.0 
     -0.00000000       0.50000000       0.22727273 1.0 
      0.00000000       0.50000000       0.25000000 1.0 
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      0.00000000       0.50000000       0.29545455 1.0 
     -0.00000000       0.50000000       0.31818182 1.0 
     -0.00000000       0.50000000       0.34090909 1.0 
     -0.00000000       0.50000000       0.36363636 1.0 
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     -0.00000000       0.50000000       0.40909091 1.0 
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     -0.00000000       0.50000000       0.45454545 1.0 
     -0.00000000       0.50000000       0.47727273 1.0 
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      0.50000000       0.50000000       0.04545455 1.0 
      0.50000000       0.50000000       0.06818182 1.0 
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      0.50000000       0.50000000       0.11363636 1.0 
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      0.50000000       0.50000000       0.15909091 1.0 
      0.50000000       0.50000000       0.18181818 1.0 
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      0.50000000       0.50000000       0.22727273 1.0 
      0.50000000       0.50000000       0.25000000 1.0 
      0.50000000       0.50000000       0.27272727 1.0 
      0.50000000       0.50000000       0.29545455 1.0 
      0.50000000       0.50000000       0.31818182 1.0 
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      0.50000000       0.50000000       0.45454545 1.0 
      0.50000000       0.50000000       0.47727273 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

