! Pwscf input file created with ciftopw.py 
! Compound: MgPHO9
&control
         calculation     = 'bands'
         prefix          = 'MgPHO9'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.2571075681541757
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.1110663011173137
         celldm(5)       =           -0.1110663011173137
         celldm(6)       =           -0.1110663011173137
         nat             =       12
         ntyp            =        4
         ecutwfc         =       59.00000000
         ecutrho         =      386.00000000
         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 
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
Mg  24.3050 Mg.rel-pbe-spnl-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
282
      0.00000000       0.00000000       0.00000000 1.0 
      0.01046554      -0.01279028       0.01046554 1.0 
      0.02093108      -0.02558055       0.02093108 1.0 
      0.03139662      -0.03837083       0.03139662 1.0 
      0.04186215      -0.05116110       0.04186215 1.0 
      0.05232769      -0.06395138       0.05232769 1.0 
      0.06279323      -0.07674165       0.06279323 1.0 
      0.07325877      -0.08953193       0.07325877 1.0 
      0.08372431      -0.10232220       0.08372431 1.0 
      0.09418985      -0.11511248       0.09418985 1.0 
      0.10465538      -0.12790276       0.10465538 1.0 
      0.11512092      -0.14069303       0.11512092 1.0 
      0.12558646      -0.15348331       0.12558646 1.0 
      0.13605200      -0.16627358       0.13605200 1.0 
      0.14651754      -0.17906386       0.14651754 1.0 
      0.15698308      -0.19185413       0.15698308 1.0 
      0.16744861      -0.20464441       0.16744861 1.0 
      0.17791415      -0.21743469       0.17791415 1.0 
      0.18837969      -0.23022496       0.18837969 1.0 
      0.19884523      -0.24301524       0.19884523 1.0 
      0.20931077      -0.25580551       0.20931077 1.0 
      0.21977631      -0.26859579       0.21977631 1.0 
      0.23024184      -0.28138606       0.23024184 1.0 
      0.24070738      -0.29417634       0.24070738 1.0 
      0.25117292      -0.30696661       0.25117292 1.0 
      0.26163846      -0.31975689       0.26163846 1.0 
      0.27210400      -0.33254717       0.27210400 1.0 
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      0.30350061      -0.37091799       0.30350061 1.0 
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      0.40815600      -0.49882075       0.40815600 1.0 
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      0.50000000      -0.50000000       0.50000000 1.0 
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      0.43960526       0.04377193       0.43960526 1.0 
      0.43752269       0.06252269       0.43752269 1.0 
      0.43544011       0.08127344       0.43544011 1.0 
      0.43335753       0.10002420       0.43335753 1.0 
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      0.42919238       0.13752571       0.42919238 1.0 
      0.42710980       0.15627647       0.42710980 1.0 
      0.42502722       0.17502722       0.42502722 1.0 
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      0.42086207       0.21252874       0.42086207 1.0 
      0.41877949       0.23127949       0.41877949 1.0 
      0.41669691       0.25003025       0.41669691 1.0 
      0.41461434       0.26878100       0.41461434 1.0 
      0.41253176       0.28753176       0.41253176 1.0 
      0.41044918       0.30628252       0.41044918 1.0 
      0.40836661       0.32503327       0.40836661 1.0 
      0.40628403       0.34378403       0.40628403 1.0 
      0.40420145       0.36253479       0.40420145 1.0 
      0.40211887       0.38128554       0.40211887 1.0 
      0.40003630       0.40003630       0.40003630 1.0 
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      0.39051162       0.39051162       0.39051162 1.0 
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      0.37146228       0.37146228       0.37146228 1.0 
      0.36193760       0.36193760       0.36193760 1.0 
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      0.33336358       0.33336358       0.33336358 1.0 
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      0.31431423       0.31431423       0.31431423 1.0 
      0.30478956       0.30478956       0.30478956 1.0 
      0.29526489       0.29526489       0.29526489 1.0 
      0.28574021       0.28574021       0.28574021 1.0 
      0.27621554       0.27621554       0.27621554 1.0 
      0.26669087       0.26669087       0.26669087 1.0 
      0.25716619       0.25716619       0.25716619 1.0 
      0.24764152       0.24764152       0.24764152 1.0 
      0.23811684       0.23811684       0.23811684 1.0 
      0.22859217       0.22859217       0.22859217 1.0 
      0.21906750       0.21906750       0.21906750 1.0 
      0.20954282       0.20954282       0.20954282 1.0 
      0.20001815       0.20001815       0.20001815 1.0 
      0.19049348       0.19049348       0.19049348 1.0 
      0.18096880       0.18096880       0.18096880 1.0 
      0.17144413       0.17144413       0.17144413 1.0 
      0.16191945       0.16191945       0.16191945 1.0 
      0.15239478       0.15239478       0.15239478 1.0 
      0.14287011       0.14287011       0.14287011 1.0 
      0.13334543       0.13334543       0.13334543 1.0 
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      0.50000000      -0.50000000       0.50000000 1.0 

