! Pwscf input file created with ciftopw.py 
! Compound: Sr2Cu2Ni(SO)2
&control
         calculation     = 'bands'
         prefix          = 'Sr2Cu2NixSOx2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.9063228376011274
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.9142192345372813
         celldm(5)       =           -0.9142192345372813
         celldm(6)       =            0.8284384690745623
         nat             =        9
         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
 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 
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
332
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00877193 1.0 
      0.00000000       0.00000000       0.01754386 1.0 
      0.00000000       0.00000000       0.02631579 1.0 
      0.00000000       0.00000000       0.03508772 1.0 
      0.00000000       0.00000000       0.04385965 1.0 
      0.00000000       0.00000000       0.05263158 1.0 
      0.00000000       0.00000000       0.06140351 1.0 
      0.00000000       0.00000000       0.07017544 1.0 
      0.00000000       0.00000000       0.07894737 1.0 
      0.00000000       0.00000000       0.08771930 1.0 
      0.00000000       0.00000000       0.09649123 1.0 
      0.00000000       0.00000000       0.10526316 1.0 
      0.00000000       0.00000000       0.11403509 1.0 
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      0.00000000       0.00000000       0.14035088 1.0 
      0.00000000       0.00000000       0.14912281 1.0 
      0.00000000       0.00000000       0.15789474 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.17543860 1.0 
      0.00000000       0.00000000       0.18421053 1.0 
      0.00000000       0.00000000       0.19298246 1.0 
      0.00000000       0.00000000       0.20175439 1.0 
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      0.00000000       0.00000000       0.24561404 1.0 
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      0.00000000       0.00000000       0.26315789 1.0 
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      0.00000000       0.00000000       0.42105263 1.0 
      0.00000000       0.00000000       0.42982456 1.0 
      0.00000000       0.00000000       0.43859649 1.0 
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     -0.00781913       0.00781913       0.50000000 1.0 
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     -0.23729061       0.23729061       0.28616677 1.0 
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     -0.26172869       0.26172869       0.26172869 1.0 
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     -0.25549706       0.25549706       0.25549706 1.0 
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     -0.19941234       0.19941234       0.19941234 1.0 
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     -0.13709598       0.13709598       0.13709598 1.0 
     -0.13086435       0.13086435       0.13086435 1.0 
     -0.12463271       0.12463271       0.12463271 1.0 
     -0.11840107       0.11840107       0.11840107 1.0 
     -0.11216944       0.11216944       0.11216944 1.0 
     -0.10593780       0.10593780       0.10593780 1.0 
     -0.09970617       0.09970617       0.09970617 1.0 
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     -0.08101126       0.08101126       0.08101126 1.0 
     -0.07477963       0.07477963       0.07477963 1.0 
     -0.06854799       0.06854799       0.06854799 1.0 
     -0.06231636       0.06231636       0.06231636 1.0 
     -0.05608472       0.05608472       0.05608472 1.0 
     -0.04985308       0.04985308       0.04985308 1.0 
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     -0.00623164       0.00623164       0.00623164 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.13888889       0.13888889       0.36111111 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.19444444       0.19444444       0.30555556 1.0 
      0.22222222       0.22222222       0.27777778 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

