! Pwscf input file created with ciftopw.py 
! Compound: K2Ca(NO2)4
&control
         calculation     = 'bands'
         prefix          = 'K2CaxNO2x4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.3065613671355560
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            2.0000008105264784
         celldm(4)       =            0.0216121955909608
         celldm(5)       =            0.0216121955909608
         celldm(6)       =            0.4999995947366785
         nat             =       15
         ntyp            =        4
         ecutwfc         =       47.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
281
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.01470588       0.00000000 1.0 
      0.02941176       0.02941176       0.00000000 1.0 
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      0.07352941       0.07352941       0.00000000 1.0 
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      0.10294118       0.10294118      -0.00000000 1.0 
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      0.20588235       0.20588235      -0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

