! Pwscf input file created with ciftopw.py 
! Compound: Na4CoO4
&control
         calculation     = 'bands'
         prefix          = 'Na4CoO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.7714381372999988
         celldm(2)       =            1.0040992749322228
         celldm(3)       =            1.5175438596491231
         celldm(4)       =            0.3167874807133968
         celldm(5)       =            0.1598811876918347
         celldm(6)       =            0.3722339881801708
         nat             =       18
         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
Co  58.9332 Co.rel-pbe-oncvpsp.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
225
      0.50000000       0.00000000       0.00000000 1.0 
      0.48333333       0.00000000      -0.00000000 1.0 
      0.46666667       0.00000000       0.00000000 1.0 
      0.45000000       0.00000000      -0.00000000 1.0 
      0.43333333       0.00000000      -0.00000000 1.0 
      0.41666667       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000       0.00000000 1.0 
      0.38333333       0.00000000       0.00000000 1.0 
      0.36666667       0.00000000      -0.00000000 1.0 
      0.35000000       0.00000000       0.00000000 1.0 
      0.33333333       0.00000000      -0.00000000 1.0 
      0.31666667      -0.00000000      -0.00000000 1.0 
      0.30000000       0.00000000      -0.00000000 1.0 
      0.28333333       0.00000000       0.00000000 1.0 
      0.26666667       0.00000000      -0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.23333333       0.00000000       0.00000000 1.0 
      0.21666667       0.00000000      -0.00000000 1.0 
      0.20000000       0.00000000       0.00000000 1.0 
      0.18333333       0.00000000      -0.00000000 1.0 
      0.16666667      -0.00000000      -0.00000000 1.0 
      0.15000000       0.00000000      -0.00000000 1.0 
      0.13333333       0.00000000       0.00000000 1.0 
      0.11666667      -0.00000000      -0.00000000 1.0 
      0.10000000       0.00000000       0.00000000 1.0 
      0.08333333       0.00000000       0.00000000 1.0 
      0.06666667       0.00000000       0.00000000 1.0 
      0.05000000       0.00000000       0.00000000 1.0 
      0.03333333      -0.00000000      -0.00000000 1.0 
      0.01666667       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01612903       0.00000000 1.0 
      0.00000000       0.03225806       0.00000000 1.0 
      0.00000000       0.04838710       0.00000000 1.0 
      0.00000000       0.06451613       0.00000000 1.0 
      0.00000000       0.08064516       0.00000000 1.0 
      0.00000000       0.09677419       0.00000000 1.0 
      0.00000000       0.11290323      -0.00000000 1.0 
      0.00000000       0.12903226       0.00000000 1.0 
      0.00000000       0.14516129       0.00000000 1.0 
      0.00000000       0.16129032       0.00000000 1.0 
      0.00000000       0.17741935      -0.00000000 1.0 
      0.00000000       0.19354839       0.00000000 1.0 
      0.00000000       0.20967742       0.00000000 1.0 
      0.00000000       0.22580645      -0.00000000 1.0 
      0.00000000       0.24193548      -0.00000000 1.0 
      0.00000000       0.25806452       0.00000000 1.0 
      0.00000000       0.27419355      -0.00000000 1.0 
      0.00000000       0.29032258       0.00000000 1.0 
      0.00000000       0.30645161       0.00000000 1.0 
      0.00000000       0.32258065       0.00000000 1.0 
      0.00000000       0.33870968       0.00000000 1.0 
      0.00000000       0.35483871      -0.00000000 1.0 
      0.00000000       0.37096774       0.00000000 1.0 
      0.00000000       0.38709677       0.00000000 1.0 
      0.00000000       0.40322581      -0.00000000 1.0 
      0.00000000       0.41935484       0.00000000 1.0 
      0.00000000       0.43548387       0.00000000 1.0 
      0.00000000       0.45161290      -0.00000000 1.0 
      0.00000000       0.46774194      -0.00000000 1.0 
      0.00000000       0.48387097      -0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48571429       0.48571429       0.00000000 1.0 
      0.47142857       0.47142857      -0.00000000 1.0 
      0.45714286       0.45714286       0.00000000 1.0 
      0.44285714       0.44285714       0.00000000 1.0 
      0.42857143       0.42857143       0.00000000 1.0 
      0.41428571       0.41428571      -0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.38571429       0.38571429      -0.00000000 1.0 
      0.37142857       0.37142857      -0.00000000 1.0 
      0.35714286       0.35714286       0.00000000 1.0 
      0.34285714       0.34285714       0.00000000 1.0 
      0.32857143       0.32857143       0.00000000 1.0 
      0.31428571       0.31428571       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.28571429       0.28571429       0.00000000 1.0 
      0.27142857       0.27142857       0.00000000 1.0 
      0.25714286       0.25714286       0.00000000 1.0 
      0.24285714       0.24285714      -0.00000000 1.0 
      0.22857143       0.22857143      -0.00000000 1.0 
      0.21428571       0.21428571       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.18571429       0.18571429       0.00000000 1.0 
      0.17142857       0.17142857       0.00000000 1.0 
      0.15714286       0.15714286       0.00000000 1.0 
      0.14285714       0.14285714       0.00000000 1.0 
      0.12857143       0.12857143       0.00000000 1.0 
      0.11428571       0.11428571       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.08571429       0.08571429      -0.00000000 1.0 
      0.07142857       0.07142857       0.00000000 1.0 
      0.05714286       0.05714286       0.00000000 1.0 
      0.04285714       0.04285714       0.00000000 1.0 
      0.02857143       0.02857143       0.00000000 1.0 
      0.01428571       0.01428571       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02500000 1.0 
      0.00000000       0.00000000       0.05000000 1.0 
      0.00000000       0.00000000       0.07500000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.17500000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.22500000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27500000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.32500000 1.0 
      0.00000000       0.00000000       0.35000000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.42500000 1.0 
      0.00000000       0.00000000       0.45000000 1.0 
      0.00000000       0.00000000       0.47500000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48571429       0.00000000       0.48571429 1.0 
      0.47142857       0.00000000       0.47142857 1.0 
      0.45714286       0.00000000       0.45714286 1.0 
      0.44285714       0.00000000       0.44285714 1.0 
      0.42857143       0.00000000       0.42857143 1.0 
      0.41428571       0.00000000       0.41428571 1.0 
      0.40000000       0.00000000       0.40000000 1.0 
      0.38571429       0.00000000       0.38571429 1.0 
      0.37142857       0.00000000       0.37142857 1.0 
      0.35714286       0.00000000       0.35714286 1.0 
      0.34285714       0.00000000       0.34285714 1.0 
      0.32857143       0.00000000       0.32857143 1.0 
      0.31428571       0.00000000       0.31428571 1.0 
      0.30000000       0.00000000       0.30000000 1.0 
      0.28571429       0.00000000       0.28571429 1.0 
      0.27142857       0.00000000       0.27142857 1.0 
      0.25714286       0.00000000       0.25714286 1.0 
      0.24285714       0.00000000       0.24285714 1.0 
      0.22857143       0.00000000       0.22857143 1.0 
      0.21428571       0.00000000       0.21428571 1.0 
      0.20000000       0.00000000       0.20000000 1.0 
      0.18571429       0.00000000       0.18571429 1.0 
      0.17142857      -0.00000000       0.17142857 1.0 
      0.15714286       0.00000000       0.15714286 1.0 
      0.14285714       0.00000000       0.14285714 1.0 
      0.12857143      -0.00000000       0.12857143 1.0 
      0.11428571       0.00000000       0.11428571 1.0 
      0.10000000       0.00000000       0.10000000 1.0 
      0.08571429       0.00000000       0.08571429 1.0 
      0.07142857      -0.00000000       0.07142857 1.0 
      0.05714286       0.00000000       0.05714286 1.0 
      0.04285714       0.00000000       0.04285714 1.0 
      0.02857143      -0.00000000       0.02857143 1.0 
      0.01428571      -0.00000000       0.01428571 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01562500       0.01562500 1.0 
      0.00000000       0.03125000       0.03125000 1.0 
      0.00000000       0.04687500       0.04687500 1.0 
      0.00000000       0.06250000       0.06250000 1.0 
      0.00000000       0.07812500       0.07812500 1.0 
      0.00000000       0.09375000       0.09375000 1.0 
      0.00000000       0.10937500       0.10937500 1.0 
      0.00000000       0.12500000       0.12500000 1.0 
      0.00000000       0.14062500       0.14062500 1.0 
      0.00000000       0.15625000       0.15625000 1.0 
      0.00000000       0.17187500       0.17187500 1.0 
      0.00000000       0.18750000       0.18750000 1.0 
      0.00000000       0.20312500       0.20312500 1.0 
      0.00000000       0.21875000       0.21875000 1.0 
      0.00000000       0.23437500       0.23437500 1.0 
      0.00000000       0.25000000       0.25000000 1.0 
      0.00000000       0.26562500       0.26562500 1.0 
      0.00000000       0.28125000       0.28125000 1.0 
      0.00000000       0.29687500       0.29687500 1.0 
      0.00000000       0.31250000       0.31250000 1.0 
      0.00000000       0.32812500       0.32812500 1.0 
      0.00000000       0.34375000       0.34375000 1.0 
      0.00000000       0.35937500       0.35937500 1.0 
      0.00000000       0.37500000       0.37500000 1.0 
      0.00000000       0.39062500       0.39062500 1.0 
      0.00000000       0.40625000       0.40625000 1.0 
      0.00000000       0.42187500       0.42187500 1.0 
      0.00000000       0.43750000       0.43750000 1.0 
      0.00000000       0.45312500       0.45312500 1.0 
      0.00000000       0.46875000       0.46875000 1.0 
      0.00000000       0.48437500       0.48437500 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48571429       0.48571429       0.48571429 1.0 
      0.47142857       0.47142857       0.47142857 1.0 
      0.45714286       0.45714286       0.45714286 1.0 
      0.44285714       0.44285714       0.44285714 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.41428571       0.41428571       0.41428571 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.38571429       0.38571429       0.38571429 1.0 
      0.37142857       0.37142857       0.37142857 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.34285714       0.34285714       0.34285714 1.0 
      0.32857143       0.32857143       0.32857143 1.0 
      0.31428571       0.31428571       0.31428571 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.27142857       0.27142857       0.27142857 1.0 
      0.25714286       0.25714286       0.25714286 1.0 
      0.24285714       0.24285714       0.24285714 1.0 
      0.22857143       0.22857143       0.22857143 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.18571429       0.18571429       0.18571429 1.0 
      0.17142857       0.17142857       0.17142857 1.0 
      0.15714286       0.15714286       0.15714286 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.12857143       0.12857143       0.12857143 1.0 
      0.11428571       0.11428571       0.11428571 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.08571429       0.08571429       0.08571429 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.05714286       0.05714286       0.05714286 1.0 
      0.04285714       0.04285714       0.04285714 1.0 
      0.02857143       0.02857143       0.02857143 1.0 
      0.01428571       0.01428571       0.01428571 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

