! Pwscf input file created with ciftopw.py 
! Compound: NaCr(SiO3)2
&control
         calculation     = 'bands'
         prefix          = 'NaCrxSiO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.0123091299731328
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8137474250400150
         celldm(4)       =            0.2153661261873373
         celldm(5)       =            0.2153661261873373
         celldm(6)       =            0.0958221487907908
         nat             =       20
         ntyp            =        4
         ecutwfc         =       80.00000000
         ecutrho         =      324.00000000
         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
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
246
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571       0.01428571      -0.00000000 1.0 
      0.02857143       0.02857143      -0.00000000 1.0 
      0.04285714       0.04285714      -0.00000000 1.0 
      0.05714286       0.05714286      -0.00000000 1.0 
      0.07142857       0.07142857       0.00000000 1.0 
      0.08571429       0.08571429      -0.00000000 1.0 
      0.10000000       0.10000000      -0.00000000 1.0 
      0.11428571       0.11428571      -0.00000000 1.0 
      0.12857143       0.12857143      -0.00000000 1.0 
      0.14285714       0.14285714       0.00000000 1.0 
      0.15714286       0.15714286       0.00000000 1.0 
      0.17142857       0.17142857      -0.00000000 1.0 
      0.18571429       0.18571429      -0.00000000 1.0 
      0.20000000       0.20000000      -0.00000000 1.0 
      0.21428571       0.21428571      -0.00000000 1.0 
      0.22857143       0.22857143      -0.00000000 1.0 
      0.24285714       0.24285714      -0.00000000 1.0 
      0.25714286       0.25714286      -0.00000000 1.0 
      0.27142857       0.27142857      -0.00000000 1.0 
      0.28571429       0.28571429       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.31428571       0.31428571       0.00000000 1.0 
      0.32857143       0.32857143      -0.00000000 1.0 
      0.34285714       0.34285714      -0.00000000 1.0 
      0.35714286       0.35714286       0.00000000 1.0 
      0.37142857       0.37142857      -0.00000000 1.0 
      0.38571429       0.38571429       0.00000000 1.0 
      0.40000000       0.40000000      -0.00000000 1.0 
      0.41428571       0.41428571      -0.00000000 1.0 
      0.42857143       0.42857143      -0.00000000 1.0 
      0.44285714       0.44285714       0.00000000 1.0 
      0.45714286       0.45714286      -0.00000000 1.0 
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      0.48571429       0.48571429      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50427508       0.50427508       0.01615312 1.0 
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      0.51282524       0.51282524       0.04845935 1.0 
      0.51710031       0.51710031       0.06461247 1.0 
      0.52137539       0.52137539       0.08076559 1.0 
      0.52565047       0.52565047       0.09691870 1.0 
      0.52992555       0.52992555       0.11307182 1.0 
      0.53420063       0.53420063       0.12922494 1.0 
      0.53847571       0.53847571       0.14537806 1.0 
      0.54275079       0.54275079       0.16153117 1.0 
      0.54702587       0.54702587       0.17768429 1.0 
      0.55130094       0.55130094       0.19383741 1.0 
      0.55557602       0.55557602       0.20999052 1.0 
      0.55985110       0.55985110       0.22614364 1.0 
      0.56412618       0.56412618       0.24229676 1.0 
      0.56840126       0.56840126       0.25844988 1.0 
      0.57267634       0.57267634       0.27460299 1.0 
      0.57695142       0.57695142       0.29075611 1.0 
      0.58122650       0.58122650       0.30690923 1.0 
      0.58550157       0.58550157       0.32306235 1.0 
      0.58977665       0.58977665       0.33921546 1.0 
      0.59405173       0.59405173       0.35536858 1.0 
      0.59832681       0.59832681       0.37152170 1.0 
      0.59832681       0.59832681       0.37152170 1.0 
      0.59076321       0.59076321       0.38140464 1.0 
      0.58319961       0.58319961       0.39128759 1.0 
      0.57563601       0.57563601       0.40117054 1.0 
      0.56807241       0.56807241       0.41105348 1.0 
      0.56050881       0.56050881       0.42093643 1.0 
      0.55294521       0.55294521       0.43081938 1.0 
      0.54538160       0.54538160       0.44070232 1.0 
      0.53781800       0.53781800       0.45058527 1.0 
      0.53025440       0.53025440       0.46046821 1.0 
      0.52269080       0.52269080       0.47035116 1.0 
      0.51512720       0.51512720       0.48023411 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
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      0.51308450       0.48691550       0.50000000 1.0 
      0.52616900       0.47383100       0.50000000 1.0 
      0.53925350       0.46074650       0.50000000 1.0 
      0.55233800       0.44766200       0.50000000 1.0 
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      0.61776050       0.38223950       0.50000000 1.0 
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      0.64392950       0.35607050       0.50000000 1.0 
      0.35607050      -0.35607050       0.50000000 1.0 
      0.34288270      -0.34288270       0.50000000 1.0 
      0.32969491      -0.32969491       0.50000000 1.0 
      0.31650711      -0.31650711       0.50000000 1.0 
      0.30331931      -0.30331931       0.50000000 1.0 
      0.29013152      -0.29013152       0.50000000 1.0 
      0.27694372      -0.27694372       0.50000000 1.0 
      0.26375592      -0.26375592       0.50000000 1.0 
      0.25056813      -0.25056813       0.50000000 1.0 
      0.23738033      -0.23738033       0.50000000 1.0 
      0.22419254      -0.22419254       0.50000000 1.0 
      0.21100474      -0.21100474       0.50000000 1.0 
      0.19781694      -0.19781694       0.50000000 1.0 
      0.18462915      -0.18462915       0.50000000 1.0 
      0.17144135      -0.17144135       0.50000000 1.0 
      0.15825355      -0.15825355       0.50000000 1.0 
      0.14506576      -0.14506576       0.50000000 1.0 
      0.13187796      -0.13187796       0.50000000 1.0 
      0.11869017      -0.11869017       0.50000000 1.0 
      0.10550237      -0.10550237       0.50000000 1.0 
      0.09231457      -0.09231457       0.50000000 1.0 
      0.07912678      -0.07912678       0.50000000 1.0 
      0.06593898      -0.06593898       0.50000000 1.0 
      0.05275118      -0.05275118       0.50000000 1.0 
      0.03956339      -0.03956339       0.50000000 1.0 
      0.02637559      -0.02637559       0.50000000 1.0 
      0.01318780      -0.01318780       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01487678       0.01487678       0.50475846 1.0 
      0.02975357       0.02975357       0.50951691 1.0 
      0.04463035       0.04463035       0.51427537 1.0 
      0.05950714       0.05950714       0.51903382 1.0 
      0.07438392       0.07438392       0.52379228 1.0 
      0.08926071       0.08926071       0.52855073 1.0 
      0.10413749       0.10413749       0.53330919 1.0 
      0.11901428       0.11901428       0.53806765 1.0 
      0.13389106       0.13389106       0.54282610 1.0 
      0.14876785       0.14876785       0.54758456 1.0 
      0.16364463       0.16364463       0.55234301 1.0 
      0.17852142       0.17852142       0.55710147 1.0 
      0.19339820       0.19339820       0.56185992 1.0 
      0.20827499       0.20827499       0.56661838 1.0 
      0.22315177       0.22315177       0.57137683 1.0 
      0.23802856       0.23802856       0.57613529 1.0 
      0.25290534       0.25290534       0.58089375 1.0 
      0.26778213       0.26778213       0.58565220 1.0 
      0.28265891       0.28265891       0.59041066 1.0 
      0.29753570       0.29753570       0.59516911 1.0 
      0.31241248       0.31241248       0.59992757 1.0 
      0.32728927       0.32728927       0.60468602 1.0 
      0.34216605       0.34216605       0.60944448 1.0 
      0.35704284       0.35704284       0.61420294 1.0 
      0.37191962       0.37191962       0.61896139 1.0 
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      0.40167319       0.40167319       0.62847830 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50000000       0.00000000       0.00000000 1.0 
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      0.01351351      -0.00000000       0.01351351 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

