! Pwscf input file created with ciftopw.py 
! Compound: BaMnO4
&control
         calculation     = 'bands'
         prefix          = 'BaMnO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.3405806118080008
         celldm(2)       =            1.3347953216374269
         celldm(3)       =            1.6566154970760230
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       24
         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-05 
         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
288
      0.00000000       0.00000000       0.00000000 1.0 
      0.01724138       0.00000000       0.00000000 1.0 
      0.03448276       0.00000000       0.00000000 1.0 
      0.05172414       0.00000000       0.00000000 1.0 
      0.06896552       0.00000000       0.00000000 1.0 
      0.08620690       0.00000000       0.00000000 1.0 
      0.10344828       0.00000000       0.00000000 1.0 
      0.12068966       0.00000000       0.00000000 1.0 
      0.13793103       0.00000000       0.00000000 1.0 
      0.15517241       0.00000000       0.00000000 1.0 
      0.17241379       0.00000000       0.00000000 1.0 
      0.18965517       0.00000000       0.00000000 1.0 
      0.20689655       0.00000000       0.00000000 1.0 
      0.22413793       0.00000000       0.00000000 1.0 
      0.24137931       0.00000000       0.00000000 1.0 
      0.25862069       0.00000000       0.00000000 1.0 
      0.27586207       0.00000000       0.00000000 1.0 
      0.29310345       0.00000000       0.00000000 1.0 
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      0.36206897       0.00000000       0.00000000 1.0 
      0.37931034       0.00000000       0.00000000 1.0 
      0.39655172       0.00000000       0.00000000 1.0 
      0.41379310       0.00000000       0.00000000 1.0 
      0.43103448       0.00000000       0.00000000 1.0 
      0.44827586       0.00000000       0.00000000 1.0 
      0.46551724       0.00000000       0.00000000 1.0 
      0.48275862       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
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      0.50000000       0.02272727       0.00000000 1.0 
      0.50000000       0.04545455       0.00000000 1.0 
      0.50000000       0.06818182       0.00000000 1.0 
      0.50000000       0.09090909       0.00000000 1.0 
      0.50000000       0.11363636       0.00000000 1.0 
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      0.50000000       0.25000000       0.00000000 1.0 
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      0.50000000       0.38636364       0.00000000 1.0 
      0.50000000       0.40909091       0.00000000 1.0 
      0.50000000       0.43181818       0.00000000 1.0 
      0.50000000       0.45454545       0.00000000 1.0 
      0.50000000       0.47727273       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48275862       0.50000000       0.00000000 1.0 
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      0.41379310       0.50000000       0.00000000 1.0 
      0.39655172       0.50000000       0.00000000 1.0 
      0.37931034       0.50000000       0.00000000 1.0 
      0.36206897       0.50000000       0.00000000 1.0 
      0.34482759       0.50000000       0.00000000 1.0 
      0.32758621       0.50000000       0.00000000 1.0 
      0.31034483       0.50000000       0.00000000 1.0 
      0.29310345       0.50000000       0.00000000 1.0 
      0.27586207       0.50000000       0.00000000 1.0 
      0.25862069       0.50000000       0.00000000 1.0 
      0.24137931       0.50000000       0.00000000 1.0 
      0.22413793       0.50000000       0.00000000 1.0 
      0.20689655       0.50000000       0.00000000 1.0 
      0.18965517       0.50000000       0.00000000 1.0 
      0.17241379       0.50000000       0.00000000 1.0 
      0.15517241       0.50000000       0.00000000 1.0 
      0.13793103       0.50000000       0.00000000 1.0 
      0.12068966       0.50000000       0.00000000 1.0 
      0.10344828       0.50000000       0.00000000 1.0 
      0.08620690       0.50000000       0.00000000 1.0 
      0.06896552       0.50000000       0.00000000 1.0 
      0.05172414       0.50000000       0.00000000 1.0 
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      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.47727273       0.00000000 1.0 
      0.00000000       0.45454545       0.00000000 1.0 
      0.00000000       0.43181818       0.00000000 1.0 
      0.00000000       0.40909091       0.00000000 1.0 
      0.00000000       0.38636364       0.00000000 1.0 
      0.00000000       0.36363636       0.00000000 1.0 
      0.00000000       0.34090909       0.00000000 1.0 
      0.00000000       0.31818182       0.00000000 1.0 
      0.00000000       0.29545455       0.00000000 1.0 
      0.00000000       0.27272727       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.22727273       0.00000000 1.0 
      0.00000000       0.20454545       0.00000000 1.0 
      0.00000000       0.18181818       0.00000000 1.0 
      0.00000000       0.15909091       0.00000000 1.0 
      0.00000000       0.13636364       0.00000000 1.0 
      0.00000000       0.11363636       0.00000000 1.0 
      0.00000000       0.09090909       0.00000000 1.0 
      0.00000000       0.06818182       0.00000000 1.0 
      0.00000000       0.04545455       0.00000000 1.0 
      0.00000000       0.02272727       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02777778 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.13888889 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000      -0.00000000       0.19444444 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.30555556 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000      -0.00000000       0.36111111 1.0 
      0.00000000      -0.00000000       0.38888889 1.0 
      0.00000000      -0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.47222222 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01724138       0.00000000       0.50000000 1.0 
      0.03448276      -0.00000000       0.50000000 1.0 
      0.05172414       0.00000000       0.50000000 1.0 
      0.06896552      -0.00000000       0.50000000 1.0 
      0.08620690       0.00000000       0.50000000 1.0 
      0.10344828      -0.00000000       0.50000000 1.0 
      0.12068966      -0.00000000       0.50000000 1.0 
      0.13793103       0.00000000       0.50000000 1.0 
      0.15517241       0.00000000       0.50000000 1.0 
      0.17241379       0.00000000       0.50000000 1.0 
      0.18965517       0.00000000       0.50000000 1.0 
      0.20689655       0.00000000       0.50000000 1.0 
      0.22413793       0.00000000       0.50000000 1.0 
      0.24137931       0.00000000       0.50000000 1.0 
      0.25862069       0.00000000       0.50000000 1.0 
      0.27586207       0.00000000       0.50000000 1.0 
      0.29310345       0.00000000       0.50000000 1.0 
      0.31034483       0.00000000       0.50000000 1.0 
      0.32758621       0.00000000       0.50000000 1.0 
      0.34482759       0.00000000       0.50000000 1.0 
      0.36206897       0.00000000       0.50000000 1.0 
      0.37931034       0.00000000       0.50000000 1.0 
      0.39655172       0.00000000       0.50000000 1.0 
      0.41379310       0.00000000       0.50000000 1.0 
      0.43103448       0.00000000       0.50000000 1.0 
      0.44827586       0.00000000       0.50000000 1.0 
      0.46551724       0.00000000       0.50000000 1.0 
      0.48275862       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.02272727       0.50000000 1.0 
      0.50000000       0.04545455       0.50000000 1.0 
      0.50000000       0.06818182       0.50000000 1.0 
      0.50000000       0.09090909       0.50000000 1.0 
      0.50000000       0.11363636       0.50000000 1.0 
      0.50000000       0.13636364       0.50000000 1.0 
      0.50000000       0.15909091       0.50000000 1.0 
      0.50000000       0.18181818       0.50000000 1.0 
      0.50000000       0.20454545       0.50000000 1.0 
      0.50000000       0.22727273       0.50000000 1.0 
      0.50000000       0.25000000       0.50000000 1.0 
      0.50000000       0.27272727       0.50000000 1.0 
      0.50000000       0.29545455       0.50000000 1.0 
      0.50000000       0.31818182       0.50000000 1.0 
      0.50000000       0.34090909       0.50000000 1.0 
      0.50000000       0.36363636       0.50000000 1.0 
      0.50000000       0.38636364       0.50000000 1.0 
      0.50000000       0.40909091       0.50000000 1.0 
      0.50000000       0.43181818       0.50000000 1.0 
      0.50000000       0.45454545       0.50000000 1.0 
      0.50000000       0.47727273       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48275862       0.50000000       0.50000000 1.0 
      0.46551724       0.50000000       0.50000000 1.0 
      0.44827586       0.50000000       0.50000000 1.0 
      0.43103448       0.50000000       0.50000000 1.0 
      0.41379310       0.50000000       0.50000000 1.0 
      0.39655172       0.50000000       0.50000000 1.0 
      0.37931034       0.50000000       0.50000000 1.0 
      0.36206897       0.50000000       0.50000000 1.0 
      0.34482759       0.50000000       0.50000000 1.0 
      0.32758621       0.50000000       0.50000000 1.0 
      0.31034483       0.50000000       0.50000000 1.0 
      0.29310345       0.50000000       0.50000000 1.0 
      0.27586207       0.50000000       0.50000000 1.0 
      0.25862069       0.50000000       0.50000000 1.0 
      0.24137931       0.50000000       0.50000000 1.0 
      0.22413793       0.50000000       0.50000000 1.0 
      0.20689655       0.50000000       0.50000000 1.0 
      0.18965517       0.50000000       0.50000000 1.0 
      0.17241379       0.50000000       0.50000000 1.0 
      0.15517241       0.50000000       0.50000000 1.0 
      0.13793103       0.50000000       0.50000000 1.0 
      0.12068966       0.50000000       0.50000000 1.0 
      0.10344828       0.50000000       0.50000000 1.0 
      0.08620690       0.50000000       0.50000000 1.0 
      0.06896552       0.50000000       0.50000000 1.0 
      0.05172414       0.50000000       0.50000000 1.0 
      0.03448276       0.50000000       0.50000000 1.0 
      0.01724138       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.47727273       0.50000000 1.0 
      0.00000000       0.45454545       0.50000000 1.0 
      0.00000000       0.43181818       0.50000000 1.0 
      0.00000000       0.40909091       0.50000000 1.0 
      0.00000000       0.38636364       0.50000000 1.0 
      0.00000000       0.36363636       0.50000000 1.0 
      0.00000000       0.34090909       0.50000000 1.0 
      0.00000000       0.31818182       0.50000000 1.0 
      0.00000000       0.29545455       0.50000000 1.0 
      0.00000000       0.27272727       0.50000000 1.0 
      0.00000000       0.25000000       0.50000000 1.0 
      0.00000000       0.22727273       0.50000000 1.0 
      0.00000000       0.20454545       0.50000000 1.0 
      0.00000000       0.18181818       0.50000000 1.0 
      0.00000000       0.15909091       0.50000000 1.0 
      0.00000000       0.13636364       0.50000000 1.0 
      0.00000000       0.11363636       0.50000000 1.0 
      0.00000000       0.09090909       0.50000000 1.0 
      0.00000000       0.06818182       0.50000000 1.0 
      0.00000000       0.04545455       0.50000000 1.0 
      0.00000000       0.02272727       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
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      0.00000000       0.50000000       0.05555556 1.0 
      0.00000000       0.50000000       0.08333333 1.0 
      0.00000000       0.50000000       0.11111111 1.0 
      0.00000000       0.50000000       0.13888889 1.0 
      0.00000000       0.50000000       0.16666667 1.0 
      0.00000000       0.50000000       0.19444444 1.0 
      0.00000000       0.50000000       0.22222222 1.0 
      0.00000000       0.50000000       0.25000000 1.0 
      0.00000000       0.50000000       0.27777778 1.0 
      0.00000000       0.50000000       0.30555556 1.0 
      0.00000000       0.50000000       0.33333333 1.0 
      0.00000000       0.50000000       0.36111111 1.0 
      0.00000000       0.50000000       0.38888889 1.0 
      0.00000000       0.50000000       0.41666667 1.0 
      0.00000000       0.50000000       0.44444444 1.0 
      0.00000000       0.50000000       0.47222222 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
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      0.50000000       0.00000000       0.44444444 1.0 
      0.50000000       0.00000000       0.41666667 1.0 
      0.50000000       0.00000000       0.38888889 1.0 
      0.50000000       0.00000000       0.36111111 1.0 
      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000       0.00000000       0.30555556 1.0 
      0.50000000       0.00000000       0.27777778 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22222222 1.0 
      0.50000000       0.00000000       0.19444444 1.0 
      0.50000000       0.00000000       0.16666667 1.0 
      0.50000000       0.00000000       0.13888889 1.0 
      0.50000000       0.00000000       0.11111111 1.0 
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      0.50000000       0.50000000       0.41666667 1.0 
      0.50000000       0.50000000       0.44444444 1.0 
      0.50000000       0.50000000       0.47222222 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

