! Pwscf input file created with ciftopw.py 
! Compound: CaGe2O5
&control
         calculation     = 'bands'
         prefix          = 'CaGe2O5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.2627455498502229
         celldm(2)       =            1.0176951080511301
         celldm(3)       =            1.2659109700954221
         celldm(4)       =           -0.2563111881681629
         celldm(5)       =           -0.2098128640503039
         celldm(6)       =           -0.2898417097466462
         nat             =       16
         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
Ge  72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
248
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      0.00000000      -0.48437500      -0.00000000 1.0 
      0.00000000      -0.46875000      -0.00000000 1.0 
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      0.25000000      -0.25000000      -0.00000000 1.0 
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      0.12500000      -0.12500000      -0.00000000 1.0 
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      0.09722222      -0.09722222      -0.00000000 1.0 
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      0.05555556      -0.05555556      -0.00000000 1.0 
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      0.02777778      -0.02777778      -0.00000000 1.0 
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     -0.44117647       0.00000000       0.44117647 1.0 
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     -0.50000000       0.00000000       0.50000000 1.0 
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     -0.48979592      -0.48979592       0.48979592 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

