! Pwscf input file created with ciftopw.py 
! Compound: KMnCl3
&control
         calculation     = 'bands'
         prefix          = 'KMnCl3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.1902874032200010
         celldm(2)       =            1.0143266475644699
         celldm(3)       =            1.4283667621776504
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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
Mn  54.9380 Mn.rel-pbe-oncvpsp.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
260
      0.00000000       0.00000000       0.00000000 1.0 
      0.02173913      -0.00000000       0.00000000 1.0 
      0.04347826      -0.00000000       0.00000000 1.0 
      0.06521739       0.00000000       0.00000000 1.0 
      0.08695652      -0.00000000       0.00000000 1.0 
      0.10869565       0.00000000       0.00000000 1.0 
      0.13043478       0.00000000       0.00000000 1.0 
      0.15217391       0.00000000       0.00000000 1.0 
      0.17391304      -0.00000000       0.00000000 1.0 
      0.19565217       0.00000000       0.00000000 1.0 
      0.21739130       0.00000000       0.00000000 1.0 
      0.23913043       0.00000000       0.00000000 1.0 
      0.26086957       0.00000000       0.00000000 1.0 
      0.28260870       0.00000000       0.00000000 1.0 
      0.30434783       0.00000000       0.00000000 1.0 
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      0.34782609      -0.00000000       0.00000000 1.0 
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      0.45652174      -0.00000000       0.00000000 1.0 
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      0.00000000       0.39130435       0.00000000 1.0 
      0.00000000       0.36956522       0.00000000 1.0 
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      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.21875000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.28125000 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.34375000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40625000 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.46875000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.06521739      -0.00000000       0.50000000 1.0 
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      0.13043478      -0.00000000       0.50000000 1.0 
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      0.21739130      -0.00000000       0.50000000 1.0 
      0.23913043      -0.00000000       0.50000000 1.0 
      0.26086957       0.00000000       0.50000000 1.0 
      0.28260870       0.00000000       0.50000000 1.0 
      0.30434783       0.00000000       0.50000000 1.0 
      0.32608696       0.00000000       0.50000000 1.0 
      0.34782609      -0.00000000       0.50000000 1.0 
      0.36956522       0.00000000       0.50000000 1.0 
      0.39130435       0.00000000       0.50000000 1.0 
      0.41304348       0.00000000       0.50000000 1.0 
      0.43478261      -0.00000000       0.50000000 1.0 
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      0.50000000      -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 
      0.50000000       0.10869565       0.50000000 1.0 
      0.50000000       0.13043478       0.50000000 1.0 
      0.50000000       0.15217391       0.50000000 1.0 
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      0.50000000       0.19565217       0.50000000 1.0 
      0.50000000       0.21739130       0.50000000 1.0 
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      0.50000000       0.26086957       0.50000000 1.0 
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      0.50000000       0.30434783       0.50000000 1.0 
      0.50000000       0.32608696       0.50000000 1.0 
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      0.50000000       0.36956522       0.50000000 1.0 
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      0.50000000       0.47826087       0.50000000 1.0 
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      0.43478261       0.50000000       0.50000000 1.0 
      0.41304348       0.50000000       0.50000000 1.0 
      0.39130435       0.50000000       0.50000000 1.0 
      0.36956522       0.50000000       0.50000000 1.0 
      0.34782609       0.50000000       0.50000000 1.0 
      0.32608696       0.50000000       0.50000000 1.0 
      0.30434783       0.50000000       0.50000000 1.0 
      0.28260870       0.50000000       0.50000000 1.0 
      0.26086957       0.50000000       0.50000000 1.0 
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      0.21739130       0.50000000       0.50000000 1.0 
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      0.17391304       0.50000000       0.50000000 1.0 
      0.15217391       0.50000000       0.50000000 1.0 
      0.13043478       0.50000000       0.50000000 1.0 
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      0.00000000       0.47826087       0.50000000 1.0 
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      0.00000000       0.39130435       0.50000000 1.0 
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      0.00000000       0.34782609       0.50000000 1.0 
      0.00000000       0.32608696       0.50000000 1.0 
      0.00000000       0.30434783       0.50000000 1.0 
      0.00000000       0.28260870       0.50000000 1.0 
      0.00000000       0.26086957       0.50000000 1.0 
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      0.00000000       0.17391304       0.50000000 1.0 
      0.00000000       0.15217391       0.50000000 1.0 
      0.00000000       0.13043478       0.50000000 1.0 
      0.00000000       0.10869565       0.50000000 1.0 
      0.00000000       0.08695652       0.50000000 1.0 
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      0.50000000      -0.00000000       0.31250000 1.0 
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      0.50000000       0.50000000       0.43750000 1.0 
      0.50000000       0.50000000       0.46875000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

