! Pwscf input file created with ciftopw.py 
! Compound: SrNi2P2(H2O5)2
&control
         calculation     = 'bands'
         prefix          = 'SrNi2P2xH2O5x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.1563630400567497
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.3727002866538431
         celldm(4)       =            0.3385841817130594
         celldm(5)       =            0.3385841817130594
         celldm(6)       =            0.3673195294929041
         nat             =       19
         ntyp            =        5
         ecutwfc         =       47.00000000
         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 
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 P  30.9738 P.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
281
      0.00000000       0.00000000       0.00000000 1.0 
      0.01282051       0.01282051       0.00000000 1.0 
      0.02564103       0.02564103       0.00000000 1.0 
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      0.10256410       0.10256410       0.00000000 1.0 
      0.11538462       0.11538462       0.00000000 1.0 
      0.12820513       0.12820513      -0.00000000 1.0 
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      0.16666667       0.16666667      -0.00000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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