! Pwscf input file created with pymatgen.py 
! Compound: MgCl2
&control
         calculation     = 'bands'
         prefix          = 'MgCl2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.4970929170759995
         celldm(2)       =            1.1004273504273505
         celldm(3)       =            1.2595332018408942
         celldm(4)       =           -0.3825221791399653
         celldm(5)       =           -0.2339544635322056
         celldm(6)       =            0.0880250533245034
         nat             =        6
         ntyp            =        2
         ecutwfc         =       59.00000000
         ecutrho         =      386.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Mg  24.3050 Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
214
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      0.00000000      -0.46153846       0.00000000 1.0 
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      0.10810811      -0.10810811       0.00000000 1.0 
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     -0.06451613       0.00000000       0.06451613 1.0 
     -0.08064516      -0.00000000       0.08064516 1.0 
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     -0.50000000       0.00000000       0.50000000 1.0 
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     -0.42857143      -0.42857143       0.42857143 1.0 
     -0.41428571      -0.41428571       0.41428571 1.0 
     -0.40000000      -0.40000000       0.40000000 1.0 
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     -0.35714286      -0.35714286       0.35714286 1.0 
     -0.34285714      -0.34285714       0.34285714 1.0 
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     -0.28571429      -0.28571429       0.28571429 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

