! Pwscf input file created with ciftopw.py 
! Compound: K3BAs2
&control
         calculation     = 'bands'
         prefix          = 'K3BAs2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5103129626499889
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.3887854600230347
         celldm(4)       =            0.2681032583428682
         celldm(5)       =            0.2681032583428682
         celldm(6)       =            0.0533864175758376
         nat             =       12
         ntyp            =        3
         ecutwfc         =       43.00000000
         ecutrho         =      325.00000000
         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
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
256
      0.00000000       0.00000000       0.00000000 1.0 
      0.01467218       0.01467218       0.00546301 1.0 
      0.02934437       0.02934437       0.01092602 1.0 
      0.04401655       0.04401655       0.01638903 1.0 
      0.05868874       0.05868874       0.02185204 1.0 
      0.07336092       0.07336092       0.02731505 1.0 
      0.08803311       0.08803311       0.03277806 1.0 
      0.10270529       0.10270529       0.03824107 1.0 
      0.11737747       0.11737747       0.04370408 1.0 
      0.13204966       0.13204966       0.04916709 1.0 
      0.14672184       0.14672184       0.05463010 1.0 
      0.16139403       0.16139403       0.06009311 1.0 
      0.17606621       0.17606621       0.06555612 1.0 
      0.19073840       0.19073840       0.07101913 1.0 
      0.20541058       0.20541058       0.07648215 1.0 
      0.22008276       0.22008276       0.08194516 1.0 
      0.23475495       0.23475495       0.08740817 1.0 
      0.24942713       0.24942713       0.09287118 1.0 
      0.26409932       0.26409932       0.09833419 1.0 
      0.27877150       0.27877150       0.10379720 1.0 
      0.29344368       0.29344368       0.10926021 1.0 
      0.30811587       0.30811587       0.11472322 1.0 
      0.32278805       0.32278805       0.12018623 1.0 
      0.33746024       0.33746024       0.12564924 1.0 
      0.35213242       0.35213242       0.13111225 1.0 
      0.36680461       0.36680461       0.13657526 1.0 
      0.38147679       0.38147679       0.14203827 1.0 
      0.39614897       0.39614897       0.14750128 1.0 
      0.41082116       0.41082116       0.15296429 1.0 
      0.42549334       0.42549334       0.15842730 1.0 
      0.44016553       0.44016553       0.16389031 1.0 
      0.45483771       0.45483771       0.16935332 1.0 
      0.46950990       0.46950990       0.17481633 1.0 
      0.48418208       0.48418208       0.18027934 1.0 
      0.49885426       0.49885426       0.18574235 1.0 
      0.51352645       0.51352645       0.19120536 1.0 
      0.52819863       0.52819863       0.19666837 1.0 
      0.52819863       0.52819863       0.19666837 1.0 
      0.53375778       0.53375778       0.22546496 1.0 
      0.53931692       0.53931692       0.25426155 1.0 
      0.54487607       0.54487607       0.28305814 1.0 
      0.55043521       0.55043521       0.31185472 1.0 
      0.55599435       0.55599435       0.34065131 1.0 
      0.56155350       0.56155350       0.36944790 1.0 
      0.56711264       0.56711264       0.39824448 1.0 
      0.57267179       0.57267179       0.42704107 1.0 
      0.57823093       0.57823093       0.45583766 1.0 
      0.58379008       0.58379008       0.48463425 1.0 
      0.58934922       0.58934922       0.51343083 1.0 
      0.59490837       0.59490837       0.54222742 1.0 
      0.60046751       0.60046751       0.57102401 1.0 
      0.60046751       0.60046751       0.57102401 1.0 
      0.59196529       0.59196529       0.58580570 1.0 
      0.58346307       0.58346307       0.60058739 1.0 
      0.57496085       0.57496085       0.61536908 1.0 
      0.56645863       0.56645863       0.63015077 1.0 
      0.55795641       0.55795641       0.64493246 1.0 
      0.54945418       0.54945418       0.65971415 1.0 
      0.54095196       0.54095196       0.67449584 1.0 
      0.53244974       0.53244974       0.68927753 1.0 
      0.52394752       0.52394752       0.70405922 1.0 
      0.51544530       0.51544530       0.71884091 1.0 
      0.50694308       0.50694308       0.73362260 1.0 
      0.49844086       0.49844086       0.74840429 1.0 
      0.48993864       0.48993864       0.76318598 1.0 
      0.48143642       0.48143642       0.77796767 1.0 
      0.47293420       0.47293420       0.79274936 1.0 
      0.46443198       0.46443198       0.80753105 1.0 
      0.45592976       0.45592976       0.82231274 1.0 
      0.45592976       0.45592976       0.82231274 1.0 
      0.44073210       0.44073210       0.81156898 1.0 
      0.42553444       0.42553444       0.80082522 1.0 
      0.41033678       0.41033678       0.79008147 1.0 
      0.39513912       0.39513912       0.77933771 1.0 
      0.37994146       0.37994146       0.76859395 1.0 
      0.36474380       0.36474380       0.75785019 1.0 
      0.34954615       0.34954615       0.74710643 1.0 
      0.33434849       0.33434849       0.73636268 1.0 
      0.31915083       0.31915083       0.72561892 1.0 
      0.30395317       0.30395317       0.71487516 1.0 
      0.28875551       0.28875551       0.70413140 1.0 
      0.27355785       0.27355785       0.69338764 1.0 
      0.25836020       0.25836020       0.68264389 1.0 
      0.24316254       0.24316254       0.67190013 1.0 
      0.22796488       0.22796488       0.66115637 1.0 
      0.21276722       0.21276722       0.65041261 1.0 
      0.19756956       0.19756956       0.63966885 1.0 
      0.18237190       0.18237190       0.62892510 1.0 
      0.16717424       0.16717424       0.61818134 1.0 
      0.15197659       0.15197659       0.60743758 1.0 
      0.13677893       0.13677893       0.59669382 1.0 
      0.12158127       0.12158127       0.58595006 1.0 
      0.10638361       0.10638361       0.57520631 1.0 
      0.09118595       0.09118595       0.56446255 1.0 
      0.07598829       0.07598829       0.55371879 1.0 
      0.06079063       0.06079063       0.54297503 1.0 
      0.04559298       0.04559298       0.53223127 1.0 
      0.03039532       0.03039532       0.52148752 1.0 
      0.01519766       0.01519766       0.51074376 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01428571      -0.01428571       0.50000000 1.0 
      0.02857143      -0.02857143       0.50000000 1.0 
      0.04285714      -0.04285714       0.50000000 1.0 
      0.05714286      -0.05714286       0.50000000 1.0 
      0.07142857      -0.07142857       0.50000000 1.0 
      0.08571429      -0.08571429       0.50000000 1.0 
      0.10000000      -0.10000000       0.50000000 1.0 
      0.11428571      -0.11428571       0.50000000 1.0 
      0.12857143      -0.12857143       0.50000000 1.0 
      0.14285714      -0.14285714       0.50000000 1.0 
      0.15714286      -0.15714286       0.50000000 1.0 
      0.17142857      -0.17142857       0.50000000 1.0 
      0.18571429      -0.18571429       0.50000000 1.0 
      0.20000000      -0.20000000       0.50000000 1.0 
      0.21428571      -0.21428571       0.50000000 1.0 
      0.22857143      -0.22857143       0.50000000 1.0 
      0.24285714      -0.24285714       0.50000000 1.0 
      0.25714286      -0.25714286       0.50000000 1.0 
      0.27142857      -0.27142857       0.50000000 1.0 
      0.28571429      -0.28571429       0.50000000 1.0 
      0.30000000      -0.30000000       0.50000000 1.0 
      0.31428571      -0.31428571       0.50000000 1.0 
      0.32857143      -0.32857143       0.50000000 1.0 
      0.34285714      -0.34285714       0.50000000 1.0 
      0.35714286      -0.35714286       0.50000000 1.0 
      0.37142857      -0.37142857       0.50000000 1.0 
      0.38571429      -0.38571429       0.50000000 1.0 
      0.40000000      -0.40000000       0.50000000 1.0 
      0.41428571      -0.41428571       0.50000000 1.0 
      0.42857143      -0.42857143       0.50000000 1.0 
      0.44285714      -0.44285714       0.50000000 1.0 
      0.45714286      -0.45714286       0.50000000 1.0 
      0.47142857      -0.47142857       0.50000000 1.0 
      0.48571429      -0.48571429       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.48564750      -0.51435250       0.48985371 1.0 
      0.47129500      -0.52870500       0.47970743 1.0 
      0.45694250      -0.54305750       0.46956114 1.0 
      0.44258999      -0.55741001       0.45941485 1.0 
      0.42823749      -0.57176251       0.44926857 1.0 
      0.41388499      -0.58611501       0.43912228 1.0 
      0.39953249      -0.60046751       0.42897599 1.0 
      0.54407024      -0.45592976       0.17768726 1.0 
      0.53851110      -0.46148890       0.14889067 1.0 
      0.53295196      -0.46704804       0.12009409 1.0 
      0.52739281      -0.47260719       0.09129750 1.0 
      0.52183367      -0.47816633       0.06250091 1.0 
      0.51627452      -0.48372548       0.03370432 1.0 
      0.51071538      -0.48928462       0.00490774 1.0 
      0.50515623      -0.49484377      -0.02388885 1.0 
      0.49959709      -0.50040291      -0.05268544 1.0 
      0.49403794      -0.50596206      -0.08148202 1.0 
      0.48847880      -0.51152120      -0.11027861 1.0 
      0.48291966      -0.51708034      -0.13907520 1.0 
      0.47736051      -0.52263949      -0.16787179 1.0 
      0.47180137      -0.52819863      -0.19666837 1.0 
      0.47180137      -0.52819863      -0.19666837 1.0 
      0.47582974      -0.52417026      -0.16857289 1.0 
      0.47985812      -0.52014188      -0.14047741 1.0 
      0.48388650      -0.51611350      -0.11238193 1.0 
      0.48791487      -0.51208513      -0.08428645 1.0 
      0.49194325      -0.50805675      -0.05619096 1.0 
      0.49597162      -0.50402838      -0.02809548 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
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      0.48571429      -0.48571429       0.00000000 1.0 
      0.47142857      -0.47142857       0.00000000 1.0 
      0.45714286      -0.45714286       0.00000000 1.0 
      0.44285714      -0.44285714       0.00000000 1.0 
      0.42857143      -0.42857143       0.00000000 1.0 
      0.41428571      -0.41428571       0.00000000 1.0 
      0.40000000      -0.40000000       0.00000000 1.0 
      0.38571429      -0.38571429       0.00000000 1.0 
      0.37142857      -0.37142857       0.00000000 1.0 
      0.35714286      -0.35714286       0.00000000 1.0 
      0.34285714      -0.34285714       0.00000000 1.0 
      0.32857143      -0.32857143       0.00000000 1.0 
      0.31428571      -0.31428571       0.00000000 1.0 
      0.30000000      -0.30000000       0.00000000 1.0 
      0.28571429      -0.28571429       0.00000000 1.0 
      0.27142857      -0.27142857       0.00000000 1.0 
      0.25714286      -0.25714286       0.00000000 1.0 
      0.24285714      -0.24285714       0.00000000 1.0 
      0.22857143      -0.22857143       0.00000000 1.0 
      0.21428571      -0.21428571       0.00000000 1.0 
      0.20000000      -0.20000000       0.00000000 1.0 
      0.18571429      -0.18571429       0.00000000 1.0 
      0.17142857      -0.17142857       0.00000000 1.0 
      0.15714286      -0.15714286       0.00000000 1.0 
      0.14285714      -0.14285714       0.00000000 1.0 
      0.12857143      -0.12857143       0.00000000 1.0 
      0.11428571      -0.11428571       0.00000000 1.0 
      0.10000000      -0.10000000       0.00000000 1.0 
      0.08571429      -0.08571429       0.00000000 1.0 
      0.07142857      -0.07142857       0.00000000 1.0 
      0.05714286      -0.05714286       0.00000000 1.0 
      0.04285714      -0.04285714       0.00000000 1.0 
      0.02857143      -0.02857143       0.00000000 1.0 
      0.01428571      -0.01428571       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02000000       0.00000000       0.00000000 1.0 
      0.04000000       0.00000000       0.00000000 1.0 
      0.06000000       0.00000000       0.00000000 1.0 
      0.08000000       0.00000000       0.00000000 1.0 
      0.10000000      -0.00000000       0.00000000 1.0 
      0.12000000       0.00000000       0.00000000 1.0 
      0.14000000       0.00000000       0.00000000 1.0 
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      0.18000000      -0.00000000       0.00000000 1.0 
      0.20000000      -0.00000000       0.00000000 1.0 
      0.22000000      -0.00000000       0.00000000 1.0 
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      0.28000000       0.00000000       0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
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      0.34000000       0.00000000       0.00000000 1.0 
      0.36000000      -0.00000000       0.00000000 1.0 
      0.38000000       0.00000000       0.00000000 1.0 
      0.40000000      -0.00000000       0.00000000 1.0 
      0.42000000       0.00000000       0.00000000 1.0 
      0.44000000      -0.00000000       0.00000000 1.0 
      0.46000000       0.00000000       0.00000000 1.0 
      0.48000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48148148       0.00000000       0.48148148 1.0 
      0.46296296       0.00000000       0.46296296 1.0 
      0.44444444       0.00000000       0.44444444 1.0 
      0.42592593      -0.00000000       0.42592593 1.0 
      0.40740741       0.00000000       0.40740741 1.0 
      0.38888889       0.00000000       0.38888889 1.0 
      0.37037037      -0.00000000       0.37037037 1.0 
      0.35185185       0.00000000       0.35185185 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.31481481       0.00000000       0.31481481 1.0 
      0.29629630      -0.00000000       0.29629630 1.0 
      0.27777778       0.00000000       0.27777778 1.0 
      0.25925926       0.00000000       0.25925926 1.0 
      0.24074074       0.00000000       0.24074074 1.0 
      0.22222222       0.00000000       0.22222222 1.0 
      0.20370370       0.00000000       0.20370370 1.0 
      0.18518519      -0.00000000       0.18518519 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.14814815       0.00000000       0.14814815 1.0 
      0.12962963       0.00000000       0.12962963 1.0 
      0.11111111       0.00000000       0.11111111 1.0 
      0.09259259      -0.00000000       0.09259259 1.0 
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      0.05555556       0.00000000       0.05555556 1.0 
      0.03703704      -0.00000000       0.03703704 1.0 
      0.01851852       0.00000000       0.01851852 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

