! Pwscf input file created with ciftopw.py 
! Compound: CaGaAu
&control
         calculation     = 'bands'
         prefix          = 'CaGaAu'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.5831354420379995
         celldm(2)       =            1.6032584764420961
         celldm(3)       =            1.7025539409951562
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       12
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      424.00000000
         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
Ga  69.7230 Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
324
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      0.00000000       0.25000000       0.00000000 1.0 
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     -0.00000000      -0.00000000       0.30952381 1.0 
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      0.15714286      -0.00000000       0.50000000 1.0 
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      0.20000000      -0.00000000       0.50000000 1.0 
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      0.40000000       0.00000000       0.50000000 1.0 
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      0.42857143       0.00000000       0.50000000 1.0 
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      0.50000000       0.22727273       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
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      0.50000000       0.29545455       0.50000000 1.0 
      0.50000000       0.31818182       0.50000000 1.0 
      0.50000000       0.34090909       0.50000000 1.0 
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      0.50000000       0.40909091       0.50000000 1.0 
      0.50000000       0.43181818       0.50000000 1.0 
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