! Pwscf input file created with ciftopw.py 
! Compound: BaZr(PO4)2
&control
         calculation     = 'bands'
         prefix          = 'BaZrxPO4x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.5192423268645179
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.5674063130676676
         celldm(4)       =            0.0457562704222559
         celldm(5)       =            0.0457562704222559
         celldm(6)       =            0.4447897615465482
         nat             =       12
         ntyp            =        4
         ecutwfc         =       50.00000000
         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
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-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
299
      0.00000000       0.00000000       0.00000000 1.0 
      0.01351351       0.01351351       0.00000000 1.0 
      0.02702703       0.02702703       0.00000000 1.0 
      0.04054054       0.04054054       0.00000000 1.0 
      0.05405405       0.05405405       0.00000000 1.0 
      0.06756757       0.06756757       0.00000000 1.0 
      0.08108108       0.08108108       0.00000000 1.0 
      0.09459459       0.09459459      -0.00000000 1.0 
      0.10810811       0.10810811       0.00000000 1.0 
      0.12162162       0.12162162       0.00000000 1.0 
      0.13513514       0.13513514       0.00000000 1.0 
      0.14864865       0.14864865      -0.00000000 1.0 
      0.16216216       0.16216216       0.00000000 1.0 
      0.17567568       0.17567568       0.00000000 1.0 
      0.18918919       0.18918919      -0.00000000 1.0 
      0.20270270       0.20270270       0.00000000 1.0 
      0.21621622       0.21621622       0.00000000 1.0 
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      0.24324324       0.24324324       0.00000000 1.0 
      0.25675676       0.25675676       0.00000000 1.0 
      0.27027027       0.27027027       0.00000000 1.0 
      0.28378378       0.28378378      -0.00000000 1.0 
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      0.33783784       0.33783784      -0.00000000 1.0 
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      0.50293007       0.50293007       0.10037100 1.0 
      0.50366258       0.50366258       0.12546375 1.0 
      0.50439510       0.50439510       0.15055650 1.0 
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      0.50586013       0.50586013       0.20074200 1.0 
      0.50659265       0.50659265       0.22583475 1.0 
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      0.50952271       0.50952271       0.32620575 1.0 
      0.51025523       0.51025523       0.35129850 1.0 
      0.51098774       0.51098774       0.37639125 1.0 
      0.51172026       0.51172026       0.40148400 1.0 
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      0.51318529       0.51318529       0.45166951 1.0 
      0.51318529       0.51318529       0.45166951 1.0 
      0.50879020       0.50879020       0.46777967 1.0 
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      0.10803475      -0.10803475       0.50000000 1.0 
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      0.07479329      -0.07479329       0.50000000 1.0 
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      0.00831037      -0.00831037       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01352263       0.01352263       0.50134251 1.0 
      0.02704526       0.02704526       0.50268503 1.0 
      0.04056789       0.04056789       0.50402754 1.0 
      0.05409052       0.05409052       0.50537005 1.0 
      0.06761315       0.06761315       0.50671257 1.0 
      0.08113578       0.08113578       0.50805508 1.0 
      0.09465842       0.09465842       0.50939760 1.0 
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      0.12170368       0.12170368       0.51208262 1.0 
      0.13522631       0.13522631       0.51342514 1.0 
      0.14874894       0.14874894       0.51476765 1.0 
      0.16227157       0.16227157       0.51611016 1.0 
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      0.18931683       0.18931683       0.51879519 1.0 
      0.20283946       0.20283946       0.52013771 1.0 
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