! Pwscf input file created with ciftopw.py 
! Compound: NaSc(SiO3)2
&control
         calculation     = 'bands'
         prefix          = 'NaScxSiO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.6305433517155237
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8010417812889891
         celldm(4)       =            0.2179414641192581
         celldm(5)       =            0.2179414641192581
         celldm(6)       =            0.0845489825332264
         nat             =       20
         ntyp            =        4
         ecutwfc         =       67.00000000
         ecutrho         =      402.00000000
         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 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
Sc  44.9559 Sc.rel-pbe-spn-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
236
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.01470588       0.00000000 1.0 
      0.02941176       0.02941176       0.00000000 1.0 
      0.04411765       0.04411765       0.00000000 1.0 
      0.05882353       0.05882353       0.00000000 1.0 
      0.07352941       0.07352941       0.00000000 1.0 
      0.08823529       0.08823529       0.00000000 1.0 
      0.10294118       0.10294118       0.00000000 1.0 
      0.11764706       0.11764706       0.00000000 1.0 
      0.13235294       0.13235294       0.00000000 1.0 
      0.14705882       0.14705882       0.00000000 1.0 
      0.16176471       0.16176471       0.00000000 1.0 
      0.17647059       0.17647059       0.00000000 1.0 
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      0.20588235       0.20588235       0.00000000 1.0 
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      0.23529412       0.23529412       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26470588       0.26470588       0.00000000 1.0 
      0.27941176       0.27941176       0.00000000 1.0 
      0.29411765       0.29411765       0.00000000 1.0 
      0.30882353       0.30882353       0.00000000 1.0 
      0.32352941       0.32352941       0.00000000 1.0 
      0.33823529       0.33823529       0.00000000 1.0 
      0.35294118       0.35294118       0.00000000 1.0 
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      0.41176471       0.41176471       0.00000000 1.0 
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      0.45588235       0.45588235       0.00000000 1.0 
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      0.51838105       0.51838105       0.06755936 1.0 
      0.52297631       0.52297631       0.08444920 1.0 
      0.52757157       0.52757157       0.10133904 1.0 
      0.53216683       0.53216683       0.11822889 1.0 
      0.53676209       0.53676209       0.13511873 1.0 
      0.54135736       0.54135736       0.15200857 1.0 
      0.54595262       0.54595262       0.16889841 1.0 
      0.55054788       0.55054788       0.18578825 1.0 
      0.55514314       0.55514314       0.20267809 1.0 
      0.55973840       0.55973840       0.21956793 1.0 
      0.56433366       0.56433366       0.23645777 1.0 
      0.56892893       0.56892893       0.25334761 1.0 
      0.57352419       0.57352419       0.27023745 1.0 
      0.57811945       0.57811945       0.28712729 1.0 
      0.58271471       0.58271471       0.30401713 1.0 
      0.58730997       0.58730997       0.32090697 1.0 
      0.59190523       0.59190523       0.33779682 1.0 
      0.59650050       0.59650050       0.35468666 1.0 
      0.60109576       0.60109576       0.37157650 1.0 
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      0.52527394       0.52527394       0.46789412 1.0 
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      0.27012661      -0.27012661       0.50000000 1.0 
      0.25590942      -0.25590942       0.50000000 1.0 
      0.24169223      -0.24169223       0.50000000 1.0 
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      0.21325785      -0.21325785       0.50000000 1.0 
      0.19904066      -0.19904066       0.50000000 1.0 
      0.18482347      -0.18482347       0.50000000 1.0 
      0.17060628      -0.17060628       0.50000000 1.0 
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      0.14217190      -0.14217190       0.50000000 1.0 
      0.12795471      -0.12795471       0.50000000 1.0 
      0.11373752      -0.11373752       0.50000000 1.0 
      0.09952033      -0.09952033       0.50000000 1.0 
      0.08530314      -0.08530314       0.50000000 1.0 
      0.07108595      -0.07108595       0.50000000 1.0 
      0.05686876      -0.05686876       0.50000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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      0.01534247       0.01534247       0.50493937 1.0 
      0.03068494       0.03068494       0.50987873 1.0 
      0.04602741       0.04602741       0.51481810 1.0 
      0.06136988       0.06136988       0.51975746 1.0 
      0.07671235       0.07671235       0.52469683 1.0 
      0.09205483       0.09205483       0.52963619 1.0 
      0.10739730       0.10739730       0.53457556 1.0 
      0.12273977       0.12273977       0.53951492 1.0 
      0.13808224       0.13808224       0.54445429 1.0 
      0.15342471       0.15342471       0.54939366 1.0 
      0.16876718       0.16876718       0.55433302 1.0 
      0.18410965       0.18410965       0.55927239 1.0 
      0.19945212       0.19945212       0.56421175 1.0 
      0.21479459       0.21479459       0.56915112 1.0 
      0.23013706       0.23013706       0.57409048 1.0 
      0.24547953       0.24547953       0.57902985 1.0 
      0.26082200       0.26082200       0.58396921 1.0 
      0.27616448       0.27616448       0.58890858 1.0 
      0.29150695       0.29150695       0.59384794 1.0 
      0.30684942       0.30684942       0.59878731 1.0 
      0.32219189       0.32219189       0.60372668 1.0 
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      0.38356177       0.38356177       0.62348414 1.0 
      0.39890424       0.39890424       0.62842350 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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