! Pwscf input file created with ciftopw.py 
! Compound: KAg3Se2
&control
         calculation     = 'bands'
         prefix          = 'KAg3Se2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           16.2316230406393345
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0197445995517058
         celldm(4)       =            0.4170177683362655
         celldm(5)       =            0.4170177683362655
         celldm(6)       =            0.8697478590096281
         nat             =       12
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      278.00000000
         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
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ag 107.8682 Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
293
      0.00000000       0.00000000       0.00000000 1.0 
      0.02380952       0.02380952       0.00000000 1.0 
      0.04761905       0.04761905       0.00000000 1.0 
      0.07142857       0.07142857       0.00000000 1.0 
      0.09523810       0.09523810       0.00000000 1.0 
      0.11904762       0.11904762      -0.00000000 1.0 
      0.14285714       0.14285714       0.00000000 1.0 
      0.16666667       0.16666667      -0.00000000 1.0 
      0.19047619       0.19047619       0.00000000 1.0 
      0.21428571       0.21428571       0.00000000 1.0 
      0.23809524       0.23809524      -0.00000000 1.0 
      0.26190476       0.26190476       0.00000000 1.0 
      0.28571429       0.28571429       0.00000000 1.0 
      0.30952381       0.30952381       0.00000000 1.0 
      0.33333333       0.33333333      -0.00000000 1.0 
      0.35714286       0.35714286       0.00000000 1.0 
      0.38095238       0.38095238       0.00000000 1.0 
      0.40476190       0.40476190       0.00000000 1.0 
      0.42857143       0.42857143       0.00000000 1.0 
      0.45238095       0.45238095      -0.00000000 1.0 
      0.47619048       0.47619048      -0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.51053345       0.51053345       0.02575772 1.0 
      0.52106690       0.52106690       0.05151545 1.0 
      0.53160035       0.53160035       0.07727317 1.0 
      0.54213380       0.54213380       0.10303090 1.0 
      0.55266725       0.55266725       0.12878862 1.0 
      0.56320070       0.56320070       0.15454634 1.0 
      0.57373415       0.57373415       0.18030407 1.0 
      0.58426760       0.58426760       0.20606179 1.0 
      0.59480105       0.59480105       0.23181952 1.0 
      0.60533450       0.60533450       0.25757724 1.0 
      0.61586795       0.61586795       0.28333497 1.0 
      0.62640140       0.62640140       0.30909269 1.0 
      0.63693485       0.63693485       0.33485041 1.0 
      0.63693485       0.63693485       0.33485041 1.0 
      0.62448623       0.62448623       0.34986401 1.0 
      0.61203760       0.61203760       0.36487761 1.0 
      0.59958898       0.59958898       0.37989121 1.0 
      0.58714036       0.58714036       0.39490481 1.0 
      0.57469174       0.57469174       0.40991841 1.0 
      0.56224311       0.56224311       0.42493201 1.0 
      0.54979449       0.54979449       0.43994560 1.0 
      0.53734587       0.53734587       0.45495920 1.0 
      0.52489725       0.52489725       0.46997280 1.0 
      0.51244862       0.51244862       0.48498640 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.53418105       0.46581895       0.50000000 1.0 
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      0.55468968       0.44531032       0.50000000 1.0 
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      0.56836210       0.43163790       0.50000000 1.0 
      0.57519831       0.42480169       0.50000000 1.0 
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      0.62988799       0.37011201       0.50000000 1.0 
      0.63672420       0.36327580       0.50000000 1.0 
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      0.14410339      -0.14410339       0.50000000 1.0 
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      0.10979306      -0.10979306       0.50000000 1.0 
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      0.07548273      -0.07548273       0.50000000 1.0 
      0.06862066      -0.06862066       0.50000000 1.0 
      0.06175860      -0.06175860       0.50000000 1.0 
      0.05489653      -0.05489653       0.50000000 1.0 
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      0.02058620      -0.02058620       0.50000000 1.0 
      0.01372413      -0.01372413       0.50000000 1.0 
      0.00686207      -0.00686207       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02593323       0.02593323       0.51179640 1.0 
      0.05186645       0.05186645       0.52359280 1.0 
      0.07779968       0.07779968       0.53538920 1.0 
      0.10373290       0.10373290       0.54718560 1.0 
      0.12966613       0.12966613       0.55898200 1.0 
      0.15559935       0.15559935       0.57077839 1.0 
      0.18153258       0.18153258       0.58257479 1.0 
      0.20746580       0.20746580       0.59437119 1.0 
      0.23339903       0.23339903       0.60616759 1.0 
      0.25933225       0.25933225       0.61796399 1.0 
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      0.31119870       0.31119870       0.64155679 1.0 
      0.33713193       0.33713193       0.65335319 1.0 
      0.36306515       0.36306515       0.66514959 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

