! Pwscf input file created with ciftopw.py 
! Compound: NaH2(SO2)2
&control
         calculation     = 'bands'
         prefix          = 'NaH2xSO2x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.9411922757352951
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.6880633844765826
         celldm(4)       =            0.2450462720039866
         celldm(5)       =            0.2450462720039866
         celldm(6)       =            0.6752911138106324
         nat             =       18
         ntyp            =        4
         ecutwfc         =       67.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.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 
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
251
      0.00000000       0.00000000       0.00000000 1.0 
      0.02173913       0.02173913       0.00000000 1.0 
      0.04347826       0.04347826       0.00000000 1.0 
      0.06521739       0.06521739       0.00000000 1.0 
      0.08695652       0.08695652       0.00000000 1.0 
      0.10869565       0.10869565       0.00000000 1.0 
      0.13043478       0.13043478       0.00000000 1.0 
      0.15217391       0.15217391       0.00000000 1.0 
      0.17391304       0.17391304       0.00000000 1.0 
      0.19565217       0.19565217       0.00000000 1.0 
      0.21739130       0.21739130       0.00000000 1.0 
      0.23913043       0.23913043       0.00000000 1.0 
      0.26086957       0.26086957       0.00000000 1.0 
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      0.30434783       0.30434783       0.00000000 1.0 
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      0.36956522       0.36956522       0.00000000 1.0 
      0.39130435       0.39130435       0.00000000 1.0 
      0.41304348       0.41304348       0.00000000 1.0 
      0.43478261       0.43478261       0.00000000 1.0 
      0.45652174       0.45652174       0.00000000 1.0 
      0.47826087       0.47826087       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50612838       0.50612838       0.01720782 1.0 
      0.51225675       0.51225675       0.03441564 1.0 
      0.51838513       0.51838513       0.05162346 1.0 
      0.52451351       0.52451351       0.06883128 1.0 
      0.53064189       0.53064189       0.08603910 1.0 
      0.53677026       0.53677026       0.10324692 1.0 
      0.54289864       0.54289864       0.12045473 1.0 
      0.54902702       0.54902702       0.13766255 1.0 
      0.55515539       0.55515539       0.15487037 1.0 
      0.56128377       0.56128377       0.17207819 1.0 
      0.56741215       0.56741215       0.18928601 1.0 
      0.57354053       0.57354053       0.20649383 1.0 
      0.57966890       0.57966890       0.22370165 1.0 
      0.58579728       0.58579728       0.24090947 1.0 
      0.59192566       0.59192566       0.25811729 1.0 
      0.59805404       0.59805404       0.27532511 1.0 
      0.60418241       0.60418241       0.29253293 1.0 
      0.61031079       0.61031079       0.30974075 1.0 
      0.61643917       0.61643917       0.32694857 1.0 
      0.62256754       0.62256754       0.34415638 1.0 
      0.62869592       0.62869592       0.36136420 1.0 
      0.63482430       0.63482430       0.37857202 1.0 
      0.64095268       0.64095268       0.39577984 1.0 
      0.64708105       0.64708105       0.41298766 1.0 
      0.65320943       0.65320943       0.43019548 1.0 
      0.65320943       0.65320943       0.43019548 1.0 
      0.63618616       0.63618616       0.43795154 1.0 
      0.61916289       0.61916289       0.44570760 1.0 
      0.60213962       0.60213962       0.45346365 1.0 
      0.58511635       0.58511635       0.46121971 1.0 
      0.56809308       0.56809308       0.46897577 1.0 
      0.55106981       0.55106981       0.47673183 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
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      0.21594087      -0.21594087       0.50000000 1.0 
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      0.19630988      -0.19630988       0.50000000 1.0 
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      0.14723241      -0.14723241       0.50000000 1.0 
      0.13741692      -0.13741692       0.50000000 1.0 
      0.12760142      -0.12760142       0.50000000 1.0 
      0.11778593      -0.11778593       0.50000000 1.0 
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      0.05889296      -0.05889296       0.50000000 1.0 
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      0.03926198      -0.03926198       0.50000000 1.0 
      0.02944648      -0.02944648       0.50000000 1.0 
      0.01963099      -0.01963099       0.50000000 1.0 
      0.00981549      -0.00981549       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.02167441       0.02167441       0.50436278 1.0 
      0.04334882       0.04334882       0.50872556 1.0 
      0.06502323       0.06502323       0.51308835 1.0 
      0.08669764       0.08669764       0.51745113 1.0 
      0.10837205       0.10837205       0.52181391 1.0 
      0.13004646       0.13004646       0.52617669 1.0 
      0.15172087       0.15172087       0.53053948 1.0 
      0.17339529       0.17339529       0.53490226 1.0 
      0.19506970       0.19506970       0.53926504 1.0 
      0.21674411       0.21674411       0.54362782 1.0 
      0.23841852       0.23841852       0.54799061 1.0 
      0.26009293       0.26009293       0.55235339 1.0 
      0.28176734       0.28176734       0.55671617 1.0 
      0.30344175       0.30344175       0.56107895 1.0 
      0.32511616       0.32511616       0.56544174 1.0 
      0.34679057       0.34679057       0.56980452 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

