! Pwscf input file created with ciftopw.py 
! Compound: YAgSe2
&control
         calculation     = 'bands'
         prefix          = 'YAgSe2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.9935409334700012
         celldm(2)       =            1.6430260047281322
         celldm(3)       =            3.2718676122931436
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       16
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      258.00000000
         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 
Ag 107.8682 Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 Y  88.9059 Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
304
      0.00000000       0.00000000       0.00000000 1.0 
      0.01315789       0.00000000       0.00000000 1.0 
      0.02631579       0.00000000       0.00000000 1.0 
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      0.06578947       0.00000000       0.00000000 1.0 
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      0.09210526      -0.00000000       0.00000000 1.0 
      0.10526316       0.00000000       0.00000000 1.0 
      0.11842105       0.00000000       0.00000000 1.0 
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      0.17105263       0.00000000       0.00000000 1.0 
      0.18421053      -0.00000000       0.00000000 1.0 
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      0.21052632       0.50000000       0.00000000 1.0 
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      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.47826087       0.00000000 1.0 
      0.00000000       0.45652174       0.00000000 1.0 
      0.00000000       0.43478261       0.00000000 1.0 
      0.00000000       0.41304348       0.00000000 1.0 
      0.00000000       0.39130435       0.00000000 1.0 
      0.00000000       0.36956522       0.00000000 1.0 
      0.00000000       0.34782609       0.00000000 1.0 
      0.00000000       0.32608696       0.00000000 1.0 
      0.00000000       0.30434783       0.00000000 1.0 
      0.00000000       0.28260870       0.00000000 1.0 
      0.00000000       0.26086957       0.00000000 1.0 
      0.00000000       0.23913043       0.00000000 1.0 
      0.00000000       0.21739130       0.00000000 1.0 
      0.00000000       0.19565217       0.00000000 1.0 
      0.00000000       0.17391304       0.00000000 1.0 
      0.00000000       0.15217391       0.00000000 1.0 
      0.00000000       0.13043478       0.00000000 1.0 
      0.00000000       0.10869565       0.00000000 1.0 
      0.00000000       0.08695652       0.00000000 1.0 
      0.00000000       0.06521739       0.00000000 1.0 
      0.00000000       0.04347826       0.00000000 1.0 
      0.00000000       0.02173913       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.04166667 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.20833333 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.29166667 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.45833333 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.01315789      -0.00000000       0.50000000 1.0 
      0.02631579       0.00000000       0.50000000 1.0 
      0.03947368       0.00000000       0.50000000 1.0 
      0.05263158       0.00000000       0.50000000 1.0 
      0.06578947      -0.00000000       0.50000000 1.0 
      0.07894737       0.00000000       0.50000000 1.0 
      0.09210526      -0.00000000       0.50000000 1.0 
      0.10526316       0.00000000       0.50000000 1.0 
      0.11842105       0.00000000       0.50000000 1.0 
      0.13157895       0.00000000       0.50000000 1.0 
      0.14473684       0.00000000       0.50000000 1.0 
      0.15789474       0.00000000       0.50000000 1.0 
      0.17105263       0.00000000       0.50000000 1.0 
      0.18421053       0.00000000       0.50000000 1.0 
      0.19736842       0.00000000       0.50000000 1.0 
      0.21052632       0.00000000       0.50000000 1.0 
      0.22368421       0.00000000       0.50000000 1.0 
      0.23684211       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.26315789       0.00000000       0.50000000 1.0 
      0.27631579       0.00000000       0.50000000 1.0 
      0.28947368       0.00000000       0.50000000 1.0 
      0.30263158       0.00000000       0.50000000 1.0 
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      0.32894737       0.00000000       0.50000000 1.0 
      0.34210526       0.00000000       0.50000000 1.0 
      0.35526316      -0.00000000       0.50000000 1.0 
      0.36842105       0.00000000       0.50000000 1.0 
      0.38157895       0.00000000       0.50000000 1.0 
      0.39473684       0.00000000       0.50000000 1.0 
      0.40789474      -0.00000000       0.50000000 1.0 
      0.42105263       0.00000000       0.50000000 1.0 
      0.43421053       0.00000000       0.50000000 1.0 
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      0.50000000       0.04347826       0.50000000 1.0 
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      0.50000000       0.08695652       0.50000000 1.0 
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      0.50000000       0.13043478       0.50000000 1.0 
      0.50000000       0.15217391       0.50000000 1.0 
      0.50000000       0.17391304       0.50000000 1.0 
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      0.50000000       0.23913043       0.50000000 1.0 
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      0.50000000       0.30434783       0.50000000 1.0 
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      0.50000000       0.34782609       0.50000000 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 

