! Pwscf input file created with ciftopw.py 
! Compound: BaMnO3
&control
         calculation     = 'bands'
         prefix          = 'BaMnO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.7405732238439651
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            0.8459679302905893
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.4999999999999998
         nat             =       10
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      324.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Mn  54.9380 Mn.rel-pbe-oncvpsp.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
358
      0.00000000       0.00000000       0.00000000 1.0 
      0.00900901       0.00900901       0.00000000 1.0 
      0.01801802       0.01801802       0.00000000 1.0 
      0.02702703       0.02702703       0.00000000 1.0 
      0.03603604       0.03603604       0.00000000 1.0 
      0.04504505       0.04504505       0.00000000 1.0 
      0.05405405       0.05405405       0.00000000 1.0 
      0.06306306       0.06306306       0.00000000 1.0 
      0.07207207       0.07207207       0.00000000 1.0 
      0.08108108       0.08108108       0.00000000 1.0 
      0.09009009       0.09009009       0.00000000 1.0 
      0.09909910       0.09909910       0.00000000 1.0 
      0.10810811       0.10810811       0.00000000 1.0 
      0.11711712       0.11711712       0.00000000 1.0 
      0.12612613       0.12612613       0.00000000 1.0 
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      0.17117117       0.17117117       0.00000000 1.0 
      0.18018018       0.18018018       0.00000000 1.0 
      0.18918919       0.18918919       0.00000000 1.0 
      0.19819820       0.19819820       0.00000000 1.0 
      0.20720721       0.20720721       0.00000000 1.0 
      0.21621622       0.21621622       0.00000000 1.0 
      0.22522523       0.22522523       0.00000000 1.0 
      0.23423423       0.23423423       0.00000000 1.0 
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      0.27027027       0.27027027       0.00000000 1.0 
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      0.24561404       0.37719298       0.00000000 1.0 
      0.22807018       0.38596491       0.00000000 1.0 
      0.21052632       0.39473684       0.00000000 1.0 
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      0.17543860       0.41228070       0.00000000 1.0 
      0.15789474       0.42105263       0.00000000 1.0 
      0.14035088       0.42982456       0.00000000 1.0 
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      0.12280702       0.43859649       0.50000000 1.0 
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      0.19298246       0.40350877       0.50000000 1.0 
      0.21052632       0.39473684       0.50000000 1.0 
      0.22807018       0.38596491       0.50000000 1.0 
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      0.26315789       0.36842105       0.50000000 1.0 
      0.28070175       0.35964912       0.50000000 1.0 
      0.29824561       0.35087719       0.50000000 1.0 
      0.31578947       0.34210526       0.50000000 1.0 
      0.33333333       0.33333333       0.50000000 1.0 
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      0.30630631       0.30630631       0.50000000 1.0 
      0.29729730       0.29729730       0.50000000 1.0 
      0.28828829       0.28828829       0.50000000 1.0 
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      0.27027027       0.27027027       0.50000000 1.0 
      0.26126126       0.26126126       0.50000000 1.0 
      0.25225225       0.25225225       0.50000000 1.0 
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      0.21621622       0.21621622       0.50000000 1.0 
      0.20720721       0.20720721       0.50000000 1.0 
      0.19819820       0.19819820       0.50000000 1.0 
      0.18918919       0.18918919       0.50000000 1.0 
      0.18018018       0.18018018       0.50000000 1.0 
      0.17117117       0.17117117       0.50000000 1.0 
      0.16216216       0.16216216       0.50000000 1.0 
      0.15315315       0.15315315       0.50000000 1.0 
      0.14414414       0.14414414       0.50000000 1.0 
      0.13513514       0.13513514       0.50000000 1.0 
      0.12612613       0.12612613       0.50000000 1.0 
      0.11711712       0.11711712       0.50000000 1.0 
      0.10810811       0.10810811       0.50000000 1.0 
      0.09909910       0.09909910       0.50000000 1.0 
      0.09009009       0.09009009       0.50000000 1.0 
      0.08108108       0.08108108       0.50000000 1.0 
      0.07207207       0.07207207       0.50000000 1.0 
      0.06306306       0.06306306       0.50000000 1.0 
      0.05405405       0.05405405       0.50000000 1.0 
      0.04504505       0.04504505       0.50000000 1.0 
      0.03603604       0.03603604       0.50000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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     -0.00000000       0.00000000       0.36363636 1.0 
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     -0.00000000       0.00000000       0.22727273 1.0 
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      0.00000000      -0.00000000       0.03030303 1.0 
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     -0.39062500       0.39062500       0.50000000 1.0 
     -0.40625000       0.40625000       0.50000000 1.0 
     -0.42187500       0.42187500       0.50000000 1.0 
     -0.43750000       0.43750000       0.50000000 1.0 
     -0.45312500       0.45312500       0.50000000 1.0 
     -0.46875000       0.46875000       0.50000000 1.0 
     -0.48437500       0.48437500       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

