! Pwscf input file created with ciftopw.py 
! Compound: NaClO4
&control
         calculation     = 'bands'
         prefix          = 'NaClO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.0685585562701689
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.4711781811361258
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.0883226512427700
         nat             =       12
         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-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cl  35.4530 Cl.rel-pbe-n-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
354
      0.00000000       0.00000000       0.00000000 1.0 
      0.01020939       0.01020939       0.00000000 1.0 
      0.02041878       0.02041878       0.00000000 1.0 
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      0.07146573       0.07146573       0.00000000 1.0 
      0.08167513       0.08167513       0.00000000 1.0 
      0.09188452       0.09188452       0.00000000 1.0 
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      0.13272208       0.13272208       0.00000000 1.0 
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      0.44460250       0.46073153       0.50000000 1.0 
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      0.44921319       0.44921319       0.50000000 1.0 
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      0.39816624       0.39816624       0.50000000 1.0 
      0.38795685       0.38795685       0.50000000 1.0 
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     -0.42222222       0.42222222       0.50000000 1.0 
     -0.43333333       0.43333333       0.50000000 1.0 
     -0.44444444       0.44444444       0.50000000 1.0 
     -0.45555556       0.45555556       0.50000000 1.0 
     -0.46666667       0.46666667       0.50000000 1.0 
     -0.47777778       0.47777778       0.50000000 1.0 
     -0.48888889       0.48888889       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

