! Pwscf input file created with ciftopw.py 
! Compound: Ni(ClO4)2
&control
         calculation     = 'bands'
         prefix          = 'NixClO4x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.7145531131181055
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9999999999999999
         celldm(4)       =            0.8123665429558504
         celldm(5)       =            0.8123665429558504
         celldm(6)       =            0.8123665429558504
         nat             =       11
         ntyp            =        3
         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 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
263
      0.00000000       0.00000000       0.00000000 1.0 
      0.01282051       0.00000000       0.00000000 1.0 
      0.02564103       0.00000000       0.00000000 1.0 
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      0.43181818       0.43181818       0.43181818 1.0 
      0.40909091       0.40909091       0.40909091 1.0 
      0.38636364       0.38636364       0.38636364 1.0 
      0.36363636       0.36363636       0.36363636 1.0 
      0.34090909       0.34090909       0.34090909 1.0 
      0.31818182       0.31818182       0.31818182 1.0 
      0.29545455       0.29545455       0.29545455 1.0 
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      0.25000000       0.25000000       0.25000000 1.0 
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      0.20454545       0.20454545       0.20454545 1.0 
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      0.13636364       0.13636364       0.13636364 1.0 
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      0.09090909       0.09090909       0.09090909 1.0 
      0.06818182       0.06818182       0.06818182 1.0 
      0.04545455       0.04545455       0.04545455 1.0 
      0.02272727       0.02272727       0.02272727 1.0 
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      0.00750539       0.00000000      -0.00750539 1.0 
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      0.80950444       0.34524778       0.34524778 1.0 

