! Pwscf input file created with ciftopw.py 
! Compound: K2HBrO
&control
         calculation     = 'bands'
         prefix          = 'K2HBrO'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.0729094250079996
         celldm(2)       =            1.5739700374531838
         celldm(3)       =            1.9761235955056176
         celldm(4)       =            0.3113399390312255
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       10
         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
 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 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
246
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02500000 1.0 
      0.00000000       0.00000000       0.05000000 1.0 
      0.00000000       0.00000000       0.07500000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.17500000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.22500000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27500000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.32500000 1.0 
      0.00000000       0.00000000       0.35000000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.42500000 1.0 
      0.00000000       0.00000000       0.45000000 1.0 
      0.00000000       0.00000000       0.47500000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02081848       0.50813770 1.0 
      0.00000000       0.04163696       0.51627539 1.0 
      0.00000000       0.06245544       0.52441309 1.0 
      0.00000000       0.08327392       0.53255079 1.0 
      0.00000000       0.10409240       0.54068849 1.0 
      0.00000000       0.12491089       0.54882618 1.0 
      0.00000000       0.14572937       0.55696388 1.0 
      0.00000000       0.16654785       0.56510158 1.0 
      0.00000000       0.18736633       0.57323927 1.0 
      0.00000000       0.20818481       0.58137697 1.0 
      0.00000000       0.22900329       0.58951467 1.0 
      0.00000000       0.24982177       0.59765236 1.0 
      0.00000000       0.27064025       0.60579006 1.0 
      0.00000000       0.29145873       0.61392776 1.0 
      0.00000000       0.31227721       0.62206546 1.0 
      0.00000000       0.33309569       0.63020315 1.0 
      0.00000000       0.35391418       0.63834085 1.0 
      0.00000000       0.37473266       0.64647855 1.0 
      0.00000000       0.39555114       0.65461624 1.0 
      0.00000000       0.41636962       0.66275394 1.0 
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      0.00000000       0.42566188       0.64467017 1.0 
      0.00000000       0.43495415       0.62658640 1.0 
      0.00000000       0.44424641       0.60850263 1.0 
      0.00000000       0.45353868       0.59041886 1.0 
      0.00000000       0.46283094       0.57233508 1.0 
      0.00000000       0.47212321       0.55425131 1.0 
      0.00000000       0.48141547       0.53616754 1.0 
      0.00000000       0.49070774       0.51808377 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
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      0.01351351       0.50000000       0.50000000 1.0 
      0.02702703       0.50000000       0.50000000 1.0 
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      0.06756757       0.50000000       0.50000000 1.0 
      0.08108108       0.50000000       0.50000000 1.0 
      0.09459459       0.50000000       0.50000000 1.0 
      0.10810811       0.50000000       0.50000000 1.0 
      0.12162162       0.50000000       0.50000000 1.0 
      0.13513514       0.50000000       0.50000000 1.0 
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      0.20270270       0.50000000       0.50000000 1.0 
      0.21621622       0.50000000       0.50000000 1.0 
      0.22972973       0.50000000       0.50000000 1.0 
      0.24324324       0.50000000       0.50000000 1.0 
      0.25675676       0.50000000       0.50000000 1.0 
      0.27027027       0.50000000       0.50000000 1.0 
      0.28378378       0.50000000       0.50000000 1.0 
      0.29729730       0.50000000       0.50000000 1.0 
      0.31081081       0.50000000       0.50000000 1.0 
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      0.35135135       0.50000000       0.50000000 1.0 
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      0.37837838       0.50000000       0.50000000 1.0 
      0.39189189       0.50000000       0.50000000 1.0 
      0.40540541       0.50000000       0.50000000 1.0 
      0.41891892       0.50000000       0.50000000 1.0 
      0.43243243       0.50000000       0.50000000 1.0 
      0.44594595       0.50000000       0.50000000 1.0 
      0.45945946       0.50000000       0.50000000 1.0 
      0.47297297       0.50000000       0.50000000 1.0 
      0.48648649       0.50000000       0.50000000 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50929226       0.48191623 1.0 
      0.50000000       0.51858453       0.46383246 1.0 
      0.50000000       0.52787679       0.44574869 1.0 
      0.50000000       0.53716906       0.42766492 1.0 
      0.50000000       0.54646132       0.40958114 1.0 
      0.50000000       0.55575359       0.39149737 1.0 
      0.50000000       0.56504585       0.37341360 1.0 
      0.50000000       0.57433812       0.35532983 1.0 
      0.50000000       0.58363038       0.33724606 1.0 
      0.50000000       0.58363038       0.33724606 1.0 
      0.50000000       0.57719728       0.31130406 1.0 
      0.50000000       0.57076417       0.28536205 1.0 
      0.50000000       0.56433106       0.25942005 1.0 
      0.50000000       0.55789796       0.23347804 1.0 
      0.50000000       0.55146485       0.20753604 1.0 
      0.50000000       0.54503174       0.18159403 1.0 
      0.50000000       0.53859864       0.15565203 1.0 
      0.50000000       0.53216553       0.12971002 1.0 
      0.50000000       0.52573243       0.10376802 1.0 
      0.50000000       0.51929932       0.07782601 1.0 
      0.50000000       0.51286621       0.05188401 1.0 
      0.50000000       0.50643311       0.02594200 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48648649       0.50000000       0.00000000 1.0 
      0.47297297       0.50000000       0.00000000 1.0 
      0.45945946       0.50000000       0.00000000 1.0 
      0.44594595       0.50000000       0.00000000 1.0 
      0.43243243       0.50000000       0.00000000 1.0 
      0.41891892       0.50000000       0.00000000 1.0 
      0.40540541       0.50000000       0.00000000 1.0 
      0.39189189       0.50000000       0.00000000 1.0 
      0.37837838       0.50000000       0.00000000 1.0 
      0.36486486       0.50000000       0.00000000 1.0 
      0.35135135       0.50000000       0.00000000 1.0 
      0.33783784       0.50000000       0.00000000 1.0 
      0.32432432       0.50000000       0.00000000 1.0 
      0.31081081       0.50000000       0.00000000 1.0 
      0.29729730       0.50000000       0.00000000 1.0 
      0.28378378       0.50000000       0.00000000 1.0 
      0.27027027       0.50000000       0.00000000 1.0 
      0.25675676       0.50000000       0.00000000 1.0 
      0.24324324       0.50000000       0.00000000 1.0 
      0.22972973       0.50000000       0.00000000 1.0 
      0.21621622       0.50000000       0.00000000 1.0 
      0.20270270       0.50000000       0.00000000 1.0 
      0.18918919       0.50000000       0.00000000 1.0 
      0.17567568       0.50000000       0.00000000 1.0 
      0.16216216       0.50000000       0.00000000 1.0 
      0.14864865       0.50000000       0.00000000 1.0 
      0.13513514       0.50000000       0.00000000 1.0 
      0.12162162       0.50000000       0.00000000 1.0 
      0.10810811       0.50000000       0.00000000 1.0 
      0.09459459       0.50000000       0.00000000 1.0 
      0.08108108       0.50000000       0.00000000 1.0 
      0.06756757       0.50000000       0.00000000 1.0 
      0.05405405       0.50000000       0.00000000 1.0 
      0.04054054       0.50000000       0.00000000 1.0 
      0.02702703       0.50000000       0.00000000 1.0 
      0.01351351       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50643311       0.02594200 1.0 
      0.00000000       0.51286621       0.05188401 1.0 
      0.00000000       0.51929932       0.07782601 1.0 
      0.00000000       0.52573243       0.10376802 1.0 
      0.00000000       0.53216553       0.12971002 1.0 
      0.00000000       0.53859864       0.15565203 1.0 
      0.00000000       0.54503174       0.18159403 1.0 
      0.00000000       0.55146485       0.20753604 1.0 
      0.00000000       0.55789796       0.23347804 1.0 
      0.00000000       0.56433106       0.25942005 1.0 
      0.00000000       0.57076417       0.28536205 1.0 
      0.00000000       0.57719728       0.31130406 1.0 
      0.00000000       0.58363038       0.33724606 1.0 
      0.50000000       0.41636962       0.66275394 1.0 
      0.50000000       0.39555114       0.65461624 1.0 
      0.50000000       0.37473266       0.64647855 1.0 
      0.50000000       0.35391418       0.63834085 1.0 
      0.50000000       0.33309569       0.63020315 1.0 
      0.50000000       0.31227721       0.62206546 1.0 
      0.50000000       0.29145873       0.61392776 1.0 
      0.50000000       0.27064025       0.60579006 1.0 
      0.50000000       0.24982177       0.59765236 1.0 
      0.50000000       0.22900329       0.58951467 1.0 
      0.50000000       0.20818481       0.58137697 1.0 
      0.50000000       0.18736633       0.57323927 1.0 
      0.50000000       0.16654785       0.56510158 1.0 
      0.50000000       0.14572937       0.55696388 1.0 
      0.50000000       0.12491089       0.54882618 1.0 
      0.50000000       0.10409240       0.54068849 1.0 
      0.50000000       0.08327392       0.53255079 1.0 
      0.50000000       0.06245544       0.52441309 1.0 
      0.50000000       0.04163696       0.51627539 1.0 
      0.50000000       0.02081848       0.50813770 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47500000 1.0 
      0.50000000       0.00000000       0.45000000 1.0 
      0.50000000       0.00000000       0.42500000 1.0 
      0.50000000       0.00000000       0.40000000 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.35000000 1.0 
      0.50000000       0.00000000       0.32500000 1.0 
      0.50000000       0.00000000       0.30000000 1.0 
      0.50000000       0.00000000       0.27500000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22500000 1.0 
      0.50000000       0.00000000       0.20000000 1.0 
      0.50000000       0.00000000       0.17500000 1.0 
      0.50000000       0.00000000       0.15000000 1.0 
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      0.50000000       0.00000000       0.10000000 1.0 
      0.50000000       0.00000000       0.07500000 1.0 
      0.50000000       0.00000000       0.05000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
      0.01351351       0.00000000       0.50000000 1.0 
      0.02702703       0.00000000       0.50000000 1.0 
      0.04054054       0.00000000       0.50000000 1.0 
      0.05405405       0.00000000       0.50000000 1.0 
      0.06756757       0.00000000       0.50000000 1.0 
      0.08108108       0.00000000       0.50000000 1.0 
      0.09459459       0.00000000       0.50000000 1.0 
      0.10810811       0.00000000       0.50000000 1.0 
      0.12162162       0.00000000       0.50000000 1.0 
      0.13513514       0.00000000       0.50000000 1.0 
      0.14864865       0.00000000       0.50000000 1.0 
      0.16216216       0.00000000       0.50000000 1.0 
      0.17567568       0.00000000       0.50000000 1.0 
      0.18918919       0.00000000       0.50000000 1.0 
      0.20270270       0.00000000       0.50000000 1.0 
      0.21621622       0.00000000       0.50000000 1.0 
      0.22972973       0.00000000       0.50000000 1.0 
      0.24324324       0.00000000       0.50000000 1.0 
      0.25675676       0.00000000       0.50000000 1.0 
      0.27027027       0.00000000       0.50000000 1.0 
      0.28378378       0.00000000       0.50000000 1.0 
      0.29729730       0.00000000       0.50000000 1.0 
      0.31081081       0.00000000       0.50000000 1.0 
      0.32432432       0.00000000       0.50000000 1.0 
      0.33783784       0.00000000       0.50000000 1.0 
      0.35135135       0.00000000       0.50000000 1.0 
      0.36486486       0.00000000       0.50000000 1.0 
      0.37837838       0.00000000       0.50000000 1.0 
      0.39189189       0.00000000       0.50000000 1.0 
      0.40540541       0.00000000       0.50000000 1.0 
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      0.50000000       0.00000000       0.50000000 1.0 

