! Pwscf input file created with ciftopw.py 
! Compound: Ca3(PO4)2
&control
         calculation     = 'bands'
         prefix          = 'Ca3xPO4x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.0824941096943395
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.7125978045678258
         celldm(5)       =            0.7125978045678258
         celldm(6)       =            0.7125978045678258
         nat             =       13
         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 
Ca  40.0780 Ca.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
252
      0.00000000       0.00000000       0.00000000 1.0 
      0.01388889      -0.00000000      -0.00000000 1.0 
      0.02777778      -0.00000000      -0.00000000 1.0 
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      0.08333333       0.00000000       0.00000000 1.0 
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      0.11111111      -0.00000000      -0.00000000 1.0 
      0.12500000      -0.00000000      -0.00000000 1.0 
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      0.56529579       0.50000000       0.43470421 1.0 
      0.55713382       0.50000000       0.44286618 1.0 
      0.54897184       0.50000000       0.45102816 1.0 
      0.54080987       0.50000000       0.45919013 1.0 
      0.53264790       0.50000000       0.46735210 1.0 
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      0.51632395       0.50000000       0.48367605 1.0 
      0.50816197       0.50000000       0.49183803 1.0 
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      0.48076923       0.48076923       0.48076923 1.0 
      0.46153846       0.46153846       0.46153846 1.0 
      0.44230769       0.44230769       0.44230769 1.0 
      0.42307692       0.42307692       0.42307692 1.0 
      0.40384615       0.40384615       0.40384615 1.0 
      0.38461538       0.38461538       0.38461538 1.0 
      0.36538462       0.36538462       0.36538462 1.0 
      0.34615385       0.34615385       0.34615385 1.0 
      0.32692308       0.32692308       0.32692308 1.0 
      0.30769231       0.30769231       0.30769231 1.0 
      0.28846154       0.28846154       0.28846154 1.0 
      0.26923077       0.26923077       0.26923077 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23076923       0.23076923       0.23076923 1.0 
      0.21153846       0.21153846       0.21153846 1.0 
      0.19230769       0.19230769       0.19230769 1.0 
      0.17307692       0.17307692       0.17307692 1.0 
      0.15384615       0.15384615       0.15384615 1.0 
      0.13461538       0.13461538       0.13461538 1.0 
      0.11538462       0.11538462       0.11538462 1.0 
      0.09615385       0.09615385       0.09615385 1.0 
      0.07692308       0.07692308       0.07692308 1.0 
      0.05769231       0.05769231       0.05769231 1.0 
      0.03846154       0.03846154       0.03846154 1.0 
      0.01923077       0.01923077       0.01923077 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00821127       0.00000000      -0.00821127 1.0 
      0.01642253       0.00000000      -0.01642253 1.0 
      0.02463380       0.00000000      -0.02463380 1.0 
      0.03284507       0.00000000      -0.03284507 1.0 
      0.04105633       0.00000000      -0.04105633 1.0 
      0.04926760       0.00000000      -0.04926760 1.0 
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      0.06569013       0.00000000      -0.06569013 1.0 
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      0.09853520       0.00000000      -0.09853520 1.0 
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      0.15601407      -0.00000000      -0.15601407 1.0 
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      0.30381687      -0.00000000      -0.30381687 1.0 
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      0.63059158       0.36940842      -0.00000000 1.0 
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      0.58814932       0.58814932       0.12370136 1.0 
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      0.61753243       0.61753243       0.16493515 1.0 
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      0.62795869       0.62795869       0.24408262 1.0 
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      0.77750712       0.33346866       0.33346866 1.0 
      0.79383106       0.35308447       0.35308447 1.0 

