! Pwscf input file created with pymatgen.py 
! Compound: NaNbO3
&control
         calculation     = 'bands'
         prefix          = 'NaNbO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.5157582109883005
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.5133914836592430
         celldm(5)       =            0.5133914836592430
         celldm(6)       =            0.5133914836592430
         nat             =       10
         ntyp            =        3
         ecutwfc         =       67.00000000
         ecutrho         =      324.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Nb  92.9064 Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
260
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571       0.00000000       0.00000000 1.0 
      0.02857143       0.00000000       0.00000000 1.0 
      0.04285714       0.00000000      -0.00000000 1.0 
      0.05714286       0.00000000       0.00000000 1.0 
      0.07142857      -0.00000000      -0.00000000 1.0 
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      0.10000000       0.00000000       0.00000000 1.0 
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      0.14285714      -0.00000000      -0.00000000 1.0 
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      0.30000000       0.00000000      -0.00000000 1.0 
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      0.50000000       0.16162866      -0.16162866 1.0 
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      0.50000000       0.17864220      -0.17864220 1.0 
      0.50000000       0.18714897      -0.18714897 1.0 
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      0.50000000       0.20416251      -0.20416251 1.0 
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      0.75330363       0.50000000       0.24669637 1.0 
      0.74456902       0.50000000       0.25543098 1.0 
      0.73583441       0.50000000       0.26416559 1.0 
      0.72709981       0.50000000       0.27290019 1.0 
      0.71836520       0.50000000       0.28163480 1.0 
      0.70963059       0.50000000       0.29036941 1.0 
      0.70089598       0.50000000       0.29910402 1.0 
      0.69216137       0.50000000       0.30783863 1.0 
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      0.67469216       0.50000000       0.32530784 1.0 
      0.66595755       0.50000000       0.33404245 1.0 
      0.65722294       0.50000000       0.34277706 1.0 
      0.64848834       0.50000000       0.35151166 1.0 
      0.63975373       0.50000000       0.36024627 1.0 
      0.63101912       0.50000000       0.36898088 1.0 
      0.62228451       0.50000000       0.37771549 1.0 
      0.61354990       0.50000000       0.38645010 1.0 
      0.60481530       0.50000000       0.39518470 1.0 
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      0.58734608       0.50000000       0.41265392 1.0 
      0.57861147       0.50000000       0.42138853 1.0 
      0.56987686       0.50000000       0.43012314 1.0 
      0.56114226       0.50000000       0.43885774 1.0 
      0.55240765       0.50000000       0.44759235 1.0 
      0.54367304       0.50000000       0.45632696 1.0 
      0.53493843       0.50000000       0.46506157 1.0 
      0.52620382       0.50000000       0.47379618 1.0 
      0.51746922       0.50000000       0.48253078 1.0 
      0.50873461       0.50000000       0.49126539 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48571429       0.48571429       0.48571429 1.0 
      0.47142857       0.47142857       0.47142857 1.0 
      0.45714286       0.45714286       0.45714286 1.0 
      0.44285714       0.44285714       0.44285714 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.41428571       0.41428571       0.41428571 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.38571429       0.38571429       0.38571429 1.0 
      0.37142857       0.37142857       0.37142857 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.34285714       0.34285714       0.34285714 1.0 
      0.32857143       0.32857143       0.32857143 1.0 
      0.31428571       0.31428571       0.31428571 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.27142857       0.27142857       0.27142857 1.0 
      0.25714286       0.25714286       0.25714286 1.0 
      0.24285714       0.24285714       0.24285714 1.0 
      0.22857143       0.22857143       0.22857143 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18571429       0.18571429       0.18571429 1.0 
      0.17142857       0.17142857       0.17142857 1.0 
      0.15714286       0.15714286       0.15714286 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.12857143       0.12857143       0.12857143 1.0 
      0.11428571       0.11428571       0.11428571 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08571429       0.08571429       0.08571429 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.05714286       0.05714286       0.05714286 1.0 
      0.04285714       0.04285714       0.04285714 1.0 
      0.02857143       0.02857143       0.02857143 1.0 
      0.01428571       0.01428571       0.01428571 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00868252       0.00000000      -0.00868252 1.0 
      0.01736503       0.00000000      -0.01736503 1.0 
      0.02604755       0.00000000      -0.02604755 1.0 
      0.03473006       0.00000000      -0.03473006 1.0 
      0.04341258      -0.00000000      -0.04341258 1.0 
      0.05209510       0.00000000      -0.05209510 1.0 
      0.06077761      -0.00000000      -0.06077761 1.0 
      0.06946013       0.00000000      -0.06946013 1.0 
      0.07814264      -0.00000000      -0.07814264 1.0 
      0.08682516      -0.00000000      -0.08682516 1.0 
      0.09550768       0.00000000      -0.09550768 1.0 
      0.10419019       0.00000000      -0.10419019 1.0 
      0.11287271      -0.00000000      -0.11287271 1.0 
      0.12155522      -0.00000000      -0.12155522 1.0 
      0.13023774       0.00000000      -0.13023774 1.0 
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      0.15628529      -0.00000000      -0.15628529 1.0 
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      0.22574541      -0.00000000      -0.22574541 1.0 
      0.23442793       0.00000000      -0.23442793 1.0 
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      0.30388806      -0.00000000      -0.30388806 1.0 
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      0.32125309      -0.00000000      -0.32125309 1.0 
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      0.33861812      -0.00000000      -0.33861812 1.0 
      0.34730064      -0.00000000      -0.34730064 1.0 
      0.35598315       0.00000000      -0.35598315 1.0 
      0.36466567       0.00000000      -0.36466567 1.0 
      0.37334818       0.00000000      -0.37334818 1.0 
      0.62665182       0.37334818      -0.00000000 1.0 
      0.61820836       0.38179164      -0.00000000 1.0 
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      0.60132145       0.39867855      -0.00000000 1.0 
      0.59287800       0.40712200      -0.00000000 1.0 
      0.58443454       0.41556546      -0.00000000 1.0 
      0.57599109       0.42400891      -0.00000000 1.0 
      0.56754763       0.43245237      -0.00000000 1.0 
      0.55910418       0.44089582      -0.00000000 1.0 
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      0.53377382       0.46622618      -0.00000000 1.0 
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      0.51688691       0.48311309      -0.00000000 1.0 
      0.50844345       0.49155655      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
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      0.52713967       0.52713967       0.05286351 1.0 
      0.53618623       0.53618623       0.07048468 1.0 
      0.54523279       0.54523279       0.08810585 1.0 
      0.55427935       0.55427935       0.10572702 1.0 
      0.56332591       0.56332591       0.12334818 1.0 
      0.57237247       0.57237247       0.14096935 1.0 
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      0.59046558       0.59046558       0.17621169 1.0 
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      0.60855870       0.60855870       0.21145403 1.0 
      0.61760526       0.61760526       0.22907520 1.0 
      0.62665182       0.62665182       0.24669637 1.0 
      0.62665182       0.62665182       0.24669637 1.0 
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      0.61203814       0.61203814       0.27592371 1.0 
      0.60716692       0.60716692       0.28566616 1.0 
      0.60229570       0.60229570       0.29540861 1.0 
      0.59742447       0.59742447       0.30515105 1.0 
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      0.57793958       0.57793958       0.34412084 1.0 
      0.57306835       0.57306835       0.35386329 1.0 
      0.56819713       0.56819713       0.36360574 1.0 
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      0.55066073       0.07466964       0.07466964 1.0 
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      0.57092502       0.10453749       0.10453749 1.0 
      0.58105716       0.11947142       0.11947142 1.0 
      0.59118931       0.13440535       0.13440535 1.0 
      0.60132145       0.14933927       0.14933927 1.0 
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      0.64185003       0.20907498       0.20907498 1.0 
      0.65198218       0.22400891       0.22400891 1.0 
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      0.73303934       0.34348033       0.34348033 1.0 
      0.74317149       0.35841426       0.35841426 1.0 
      0.75330363       0.37334818       0.37334818 1.0 

