! Pwscf input file created with ciftopw.py 
! Compound: BaHf(PO4)2
&control
         calculation     = 'bands'
         prefix          = 'BaHfxPO4x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.4923030527428232
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.5689600110865569
         celldm(4)       =            0.0470048423926766
         celldm(5)       =            0.0470048423926766
         celldm(6)       =            0.4448753278833488
         nat             =       12
         ntyp            =        4
         ecutwfc         =       48.00000000
         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
Hf 178.4900 Hf.rel-pbe-spn-rrkjus_psl.1.0.0.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
300
      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 
      0.22972973       0.22972973       0.00000000 1.0 
      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 
      0.29729730       0.29729730       0.00000000 1.0 
      0.31081081       0.31081081       0.00000000 1.0 
      0.32432432       0.32432432      -0.00000000 1.0 
      0.33783784       0.33783784       0.00000000 1.0 
      0.35135135       0.35135135       0.00000000 1.0 
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      0.39189189       0.39189189      -0.00000000 1.0 
      0.40540541       0.40540541      -0.00000000 1.0 
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      0.50299816       0.50299816       0.10007460 1.0 
      0.50374770       0.50374770       0.12509325 1.0 
      0.50449724       0.50449724       0.15011190 1.0 
      0.50524678       0.50524678       0.17513055 1.0 
      0.50599632       0.50599632       0.20014920 1.0 
      0.50674586       0.50674586       0.22516785 1.0 
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      0.50824494       0.50824494       0.27520515 1.0 
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      0.50974402       0.50974402       0.32524245 1.0 
      0.51049355       0.51049355       0.35026110 1.0 
      0.51124309       0.51124309       0.37527975 1.0 
      0.51199263       0.51199263       0.40029840 1.0 
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      0.51349171       0.51349171       0.45033570 1.0 
      0.51349171       0.51349171       0.45033570 1.0 
      0.50899448       0.50899448       0.46689047 1.0 
      0.50449724       0.50449724       0.48344523 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.55873648       0.44126352       0.50000000 1.0 
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      0.18274617      -0.18274617       0.50000000 1.0 
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      0.16613288      -0.16613288       0.50000000 1.0 
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      0.14951960      -0.14951960       0.50000000 1.0 
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      0.11629302      -0.11629302       0.50000000 1.0 
      0.10798637      -0.10798637       0.50000000 1.0 
      0.09967973      -0.09967973       0.50000000 1.0 
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      0.08306644      -0.08306644       0.50000000 1.0 
      0.07475980      -0.07475980       0.50000000 1.0 
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      0.05814651      -0.05814651       0.50000000 1.0 
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      0.04153322      -0.04153322       0.50000000 1.0 
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      0.02491993      -0.02491993       0.50000000 1.0 
      0.01661329      -0.01661329       0.50000000 1.0 
      0.00830664      -0.00830664       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01351412       0.01351412       0.50137956 1.0 
      0.02702824       0.02702824       0.50275913 1.0 
      0.04054236       0.04054236       0.50413869 1.0 
      0.05405648       0.05405648       0.50551826 1.0 
      0.06757060       0.06757060       0.50689782 1.0 
      0.08108471       0.08108471       0.50827738 1.0 
      0.09459883       0.09459883       0.50965695 1.0 
      0.10811295       0.10811295       0.51103651 1.0 
      0.12162707       0.12162707       0.51241608 1.0 
      0.13514119       0.13514119       0.51379564 1.0 
      0.14865531       0.14865531       0.51517520 1.0 
      0.16216943       0.16216943       0.51655477 1.0 
      0.17568355       0.17568355       0.51793433 1.0 
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      0.20271179       0.20271179       0.52069346 1.0 
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      0.22974002       0.22974002       0.52345259 1.0 
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      0.25676826       0.25676826       0.52621172 1.0 
      0.27028238       0.27028238       0.52759128 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

