! 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)       =            7.5343375181430003
         celldm(2)       =            1.2264860797592172
         celldm(3)       =            1.8748432405317279
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         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
392
      0.00000000       0.00000000       0.00000000 1.0 
      0.01250000       0.00000000       0.00000000 1.0 
      0.02500000       0.00000000       0.00000000 1.0 
      0.03750000       0.00000000       0.00000000 1.0 
      0.05000000       0.00000000       0.00000000 1.0 
      0.06250000       0.00000000       0.00000000 1.0 
      0.07500000       0.00000000       0.00000000 1.0 
      0.08750000       0.00000000       0.00000000 1.0 
      0.10000000       0.00000000       0.00000000 1.0 
      0.11250000       0.00000000       0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
      0.13750000      -0.00000000       0.00000000 1.0 
      0.15000000       0.00000000       0.00000000 1.0 
      0.16250000       0.00000000       0.00000000 1.0 
      0.17500000       0.00000000       0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.20000000       0.00000000       0.00000000 1.0 
      0.21250000       0.00000000       0.00000000 1.0 
      0.22500000       0.00000000       0.00000000 1.0 
      0.23750000       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26250000       0.00000000       0.00000000 1.0 
      0.27500000      -0.00000000       0.00000000 1.0 
      0.28750000       0.00000000       0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.31250000       0.00000000       0.00000000 1.0 
      0.32500000       0.00000000       0.00000000 1.0 
      0.33750000      -0.00000000       0.00000000 1.0 
      0.35000000       0.00000000       0.00000000 1.0 
      0.36250000       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.38750000       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000       0.00000000 1.0 
      0.41250000       0.00000000       0.00000000 1.0 
      0.42500000       0.00000000       0.00000000 1.0 
      0.43750000       0.00000000       0.00000000 1.0 
      0.45000000       0.00000000       0.00000000 1.0 
      0.46250000       0.00000000       0.00000000 1.0 
      0.47500000       0.00000000       0.00000000 1.0 
      0.48750000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.01515152       0.00000000 1.0 
      0.50000000       0.03030303       0.00000000 1.0 
      0.50000000       0.04545455       0.00000000 1.0 
      0.50000000       0.06060606       0.00000000 1.0 
      0.50000000       0.07575758       0.00000000 1.0 
      0.50000000       0.09090909       0.00000000 1.0 
      0.50000000       0.10606061       0.00000000 1.0 
      0.50000000       0.12121212       0.00000000 1.0 
      0.50000000       0.13636364       0.00000000 1.0 
      0.50000000       0.15151515       0.00000000 1.0 
      0.50000000       0.16666667       0.00000000 1.0 
      0.50000000       0.18181818       0.00000000 1.0 
      0.50000000       0.19696970       0.00000000 1.0 
      0.50000000       0.21212121       0.00000000 1.0 
      0.50000000       0.22727273       0.00000000 1.0 
      0.50000000       0.24242424       0.00000000 1.0 
      0.50000000       0.25757576       0.00000000 1.0 
      0.50000000       0.27272727       0.00000000 1.0 
      0.50000000       0.28787879       0.00000000 1.0 
      0.50000000       0.30303030       0.00000000 1.0 
      0.50000000       0.31818182       0.00000000 1.0 
      0.50000000       0.33333333       0.00000000 1.0 
      0.50000000       0.34848485       0.00000000 1.0 
      0.50000000       0.36363636       0.00000000 1.0 
      0.50000000       0.37878788       0.00000000 1.0 
      0.50000000       0.39393939       0.00000000 1.0 
      0.50000000       0.40909091       0.00000000 1.0 
      0.50000000       0.42424242       0.00000000 1.0 
      0.50000000       0.43939394       0.00000000 1.0 
      0.50000000       0.45454545       0.00000000 1.0 
      0.50000000       0.46969697       0.00000000 1.0 
      0.50000000       0.48484848       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48750000       0.50000000       0.00000000 1.0 
      0.47500000       0.50000000       0.00000000 1.0 
      0.46250000       0.50000000       0.00000000 1.0 
      0.45000000       0.50000000       0.00000000 1.0 
      0.43750000       0.50000000       0.00000000 1.0 
      0.42500000       0.50000000       0.00000000 1.0 
      0.41250000       0.50000000       0.00000000 1.0 
      0.40000000       0.50000000       0.00000000 1.0 
      0.38750000       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.36250000       0.50000000       0.00000000 1.0 
      0.35000000       0.50000000       0.00000000 1.0 
      0.33750000       0.50000000       0.00000000 1.0 
      0.32500000       0.50000000       0.00000000 1.0 
      0.31250000       0.50000000       0.00000000 1.0 
      0.30000000       0.50000000       0.00000000 1.0 
      0.28750000       0.50000000       0.00000000 1.0 
      0.27500000       0.50000000       0.00000000 1.0 
      0.26250000       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.23750000       0.50000000       0.00000000 1.0 
      0.22500000       0.50000000       0.00000000 1.0 
      0.21250000       0.50000000       0.00000000 1.0 
      0.20000000       0.50000000       0.00000000 1.0 
      0.18750000       0.50000000       0.00000000 1.0 
      0.17500000       0.50000000       0.00000000 1.0 
      0.16250000       0.50000000       0.00000000 1.0 
      0.15000000       0.50000000       0.00000000 1.0 
      0.13750000       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.11250000       0.50000000       0.00000000 1.0 
      0.10000000       0.50000000       0.00000000 1.0 
      0.08750000       0.50000000       0.00000000 1.0 
      0.07500000       0.50000000       0.00000000 1.0 
      0.06250000       0.50000000       0.00000000 1.0 
      0.05000000       0.50000000       0.00000000 1.0 
      0.03750000       0.50000000       0.00000000 1.0 
      0.02500000       0.50000000       0.00000000 1.0 
      0.01250000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.48484848       0.00000000 1.0 
      0.00000000       0.46969697       0.00000000 1.0 
      0.00000000       0.45454545       0.00000000 1.0 
      0.00000000       0.43939394       0.00000000 1.0 
      0.00000000       0.42424242       0.00000000 1.0 
      0.00000000       0.40909091       0.00000000 1.0 
      0.00000000       0.39393939       0.00000000 1.0 
      0.00000000       0.37878788       0.00000000 1.0 
      0.00000000       0.36363636       0.00000000 1.0 
      0.00000000       0.34848485       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
      0.00000000       0.31818182       0.00000000 1.0 
      0.00000000       0.30303030       0.00000000 1.0 
      0.00000000       0.28787879       0.00000000 1.0 
      0.00000000       0.27272727       0.00000000 1.0 
      0.00000000       0.25757576       0.00000000 1.0 
      0.00000000       0.24242424       0.00000000 1.0 
      0.00000000       0.22727273       0.00000000 1.0 
      0.00000000       0.21212121       0.00000000 1.0 
      0.00000000       0.19696970       0.00000000 1.0 
      0.00000000       0.18181818       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.15151515       0.00000000 1.0 
      0.00000000       0.13636364       0.00000000 1.0 
      0.00000000       0.12121212       0.00000000 1.0 
      0.00000000       0.10606061       0.00000000 1.0 
      0.00000000       0.09090909       0.00000000 1.0 
      0.00000000       0.07575758       0.00000000 1.0 
      0.00000000       0.06060606       0.00000000 1.0 
      0.00000000       0.04545455       0.00000000 1.0 
      0.00000000       0.03030303       0.00000000 1.0 
      0.00000000       0.01515152       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02272727 1.0 
      0.00000000       0.00000000       0.04545455 1.0 
      0.00000000      -0.00000000       0.06818182 1.0 
      0.00000000       0.00000000       0.09090909 1.0 
      0.00000000      -0.00000000       0.11363636 1.0 
      0.00000000      -0.00000000       0.13636364 1.0 
      0.00000000       0.00000000       0.15909091 1.0 
      0.00000000       0.00000000       0.18181818 1.0 
      0.00000000       0.00000000       0.20454545 1.0 
      0.00000000      -0.00000000       0.22727273 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000      -0.00000000       0.27272727 1.0 
      0.00000000       0.00000000       0.29545455 1.0 
      0.00000000       0.00000000       0.31818182 1.0 
      0.00000000       0.00000000       0.34090909 1.0 
      0.00000000       0.00000000       0.36363636 1.0 
      0.00000000      -0.00000000       0.38636364 1.0 
      0.00000000       0.00000000       0.40909091 1.0 
      0.00000000      -0.00000000       0.43181818 1.0 
      0.00000000      -0.00000000       0.45454545 1.0 
      0.00000000       0.00000000       0.47727273 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01250000       0.00000000       0.50000000 1.0 
      0.02500000      -0.00000000       0.50000000 1.0 
      0.03750000      -0.00000000       0.50000000 1.0 
      0.05000000       0.00000000       0.50000000 1.0 
      0.06250000       0.00000000       0.50000000 1.0 
      0.07500000       0.00000000       0.50000000 1.0 
      0.08750000      -0.00000000       0.50000000 1.0 
      0.10000000       0.00000000       0.50000000 1.0 
      0.11250000       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.13750000       0.00000000       0.50000000 1.0 
      0.15000000       0.00000000       0.50000000 1.0 
      0.16250000       0.00000000       0.50000000 1.0 
      0.17500000       0.00000000       0.50000000 1.0 
      0.18750000       0.00000000       0.50000000 1.0 
      0.20000000       0.00000000       0.50000000 1.0 
      0.21250000       0.00000000       0.50000000 1.0 
      0.22500000      -0.00000000       0.50000000 1.0 
      0.23750000      -0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.26250000       0.00000000       0.50000000 1.0 
      0.27500000       0.00000000       0.50000000 1.0 
      0.28750000      -0.00000000       0.50000000 1.0 
      0.30000000      -0.00000000       0.50000000 1.0 
      0.31250000       0.00000000       0.50000000 1.0 
      0.32500000       0.00000000       0.50000000 1.0 
      0.33750000      -0.00000000       0.50000000 1.0 
      0.35000000       0.00000000       0.50000000 1.0 
      0.36250000       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
      0.38750000      -0.00000000       0.50000000 1.0 
      0.40000000       0.00000000       0.50000000 1.0 
      0.41250000       0.00000000       0.50000000 1.0 
      0.42500000       0.00000000       0.50000000 1.0 
      0.43750000       0.00000000       0.50000000 1.0 
      0.45000000       0.00000000       0.50000000 1.0 
      0.46250000       0.00000000       0.50000000 1.0 
      0.47500000      -0.00000000       0.50000000 1.0 
      0.48750000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.01515152       0.50000000 1.0 
      0.50000000       0.03030303       0.50000000 1.0 
      0.50000000       0.04545455       0.50000000 1.0 
      0.50000000       0.06060606       0.50000000 1.0 
      0.50000000       0.07575758       0.50000000 1.0 
      0.50000000       0.09090909       0.50000000 1.0 
      0.50000000       0.10606061       0.50000000 1.0 
      0.50000000       0.12121212       0.50000000 1.0 
      0.50000000       0.13636364       0.50000000 1.0 
      0.50000000       0.15151515       0.50000000 1.0 
      0.50000000       0.16666667       0.50000000 1.0 
      0.50000000       0.18181818       0.50000000 1.0 
      0.50000000       0.19696970       0.50000000 1.0 
      0.50000000       0.21212121       0.50000000 1.0 
      0.50000000       0.22727273       0.50000000 1.0 
      0.50000000       0.24242424       0.50000000 1.0 
      0.50000000       0.25757576       0.50000000 1.0 
      0.50000000       0.27272727       0.50000000 1.0 
      0.50000000       0.28787879       0.50000000 1.0 
      0.50000000       0.30303030       0.50000000 1.0 
      0.50000000       0.31818182       0.50000000 1.0 
      0.50000000       0.33333333       0.50000000 1.0 
      0.50000000       0.34848485       0.50000000 1.0 
      0.50000000       0.36363636       0.50000000 1.0 
      0.50000000       0.37878788       0.50000000 1.0 
      0.50000000       0.39393939       0.50000000 1.0 
      0.50000000       0.40909091       0.50000000 1.0 
      0.50000000       0.42424242       0.50000000 1.0 
      0.50000000       0.43939394       0.50000000 1.0 
      0.50000000       0.45454545       0.50000000 1.0 
      0.50000000       0.46969697       0.50000000 1.0 
      0.50000000       0.48484848       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48750000       0.50000000       0.50000000 1.0 
      0.47500000       0.50000000       0.50000000 1.0 
      0.46250000       0.50000000       0.50000000 1.0 
      0.45000000       0.50000000       0.50000000 1.0 
      0.43750000       0.50000000       0.50000000 1.0 
      0.42500000       0.50000000       0.50000000 1.0 
      0.41250000       0.50000000       0.50000000 1.0 
      0.40000000       0.50000000       0.50000000 1.0 
      0.38750000       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.36250000       0.50000000       0.50000000 1.0 
      0.35000000       0.50000000       0.50000000 1.0 
      0.33750000       0.50000000       0.50000000 1.0 
      0.32500000       0.50000000       0.50000000 1.0 
      0.31250000       0.50000000       0.50000000 1.0 
      0.30000000       0.50000000       0.50000000 1.0 
      0.28750000       0.50000000       0.50000000 1.0 
      0.27500000       0.50000000       0.50000000 1.0 
      0.26250000       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.23750000       0.50000000       0.50000000 1.0 
      0.22500000       0.50000000       0.50000000 1.0 
      0.21250000       0.50000000       0.50000000 1.0 
      0.20000000       0.50000000       0.50000000 1.0 
      0.18750000       0.50000000       0.50000000 1.0 
      0.17500000       0.50000000       0.50000000 1.0 
      0.16250000       0.50000000       0.50000000 1.0 
      0.15000000       0.50000000       0.50000000 1.0 
      0.13750000       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.11250000       0.50000000       0.50000000 1.0 
      0.10000000       0.50000000       0.50000000 1.0 
      0.08750000       0.50000000       0.50000000 1.0 
      0.07500000       0.50000000       0.50000000 1.0 
      0.06250000       0.50000000       0.50000000 1.0 
      0.05000000       0.50000000       0.50000000 1.0 
      0.03750000       0.50000000       0.50000000 1.0 
      0.02500000       0.50000000       0.50000000 1.0 
      0.01250000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.48484848       0.50000000 1.0 
      0.00000000       0.46969697       0.50000000 1.0 
      0.00000000       0.45454545       0.50000000 1.0 
      0.00000000       0.43939394       0.50000000 1.0 
      0.00000000       0.42424242       0.50000000 1.0 
      0.00000000       0.40909091       0.50000000 1.0 
      0.00000000       0.39393939       0.50000000 1.0 
      0.00000000       0.37878788       0.50000000 1.0 
      0.00000000       0.36363636       0.50000000 1.0 
      0.00000000       0.34848485       0.50000000 1.0 
      0.00000000       0.33333333       0.50000000 1.0 
      0.00000000       0.31818182       0.50000000 1.0 
      0.00000000       0.30303030       0.50000000 1.0 
      0.00000000       0.28787879       0.50000000 1.0 
      0.00000000       0.27272727       0.50000000 1.0 
      0.00000000       0.25757576       0.50000000 1.0 
      0.00000000       0.24242424       0.50000000 1.0 
      0.00000000       0.22727273       0.50000000 1.0 
      0.00000000       0.21212121       0.50000000 1.0 
      0.00000000       0.19696970       0.50000000 1.0 
      0.00000000       0.18181818       0.50000000 1.0 
      0.00000000       0.16666667       0.50000000 1.0 
      0.00000000       0.15151515       0.50000000 1.0 
      0.00000000       0.13636364       0.50000000 1.0 
      0.00000000       0.12121212       0.50000000 1.0 
      0.00000000       0.10606061       0.50000000 1.0 
      0.00000000       0.09090909       0.50000000 1.0 
      0.00000000       0.07575758       0.50000000 1.0 
      0.00000000       0.06060606       0.50000000 1.0 
      0.00000000       0.04545455       0.50000000 1.0 
      0.00000000       0.03030303       0.50000000 1.0 
      0.00000000       0.01515152       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.02272727 1.0 
      0.00000000       0.50000000       0.04545455 1.0 
      0.00000000       0.50000000       0.06818182 1.0 
      0.00000000       0.50000000       0.09090909 1.0 
      0.00000000       0.50000000       0.11363636 1.0 
      0.00000000       0.50000000       0.13636364 1.0 
      0.00000000       0.50000000       0.15909091 1.0 
      0.00000000       0.50000000       0.18181818 1.0 
      0.00000000       0.50000000       0.20454545 1.0 
      0.00000000       0.50000000       0.22727273 1.0 
      0.00000000       0.50000000       0.25000000 1.0 
      0.00000000       0.50000000       0.27272727 1.0 
      0.00000000       0.50000000       0.29545455 1.0 
      0.00000000       0.50000000       0.31818182 1.0 
      0.00000000       0.50000000       0.34090909 1.0 
      0.00000000       0.50000000       0.36363636 1.0 
      0.00000000       0.50000000       0.38636364 1.0 
      0.00000000       0.50000000       0.40909091 1.0 
      0.00000000       0.50000000       0.43181818 1.0 
      0.00000000       0.50000000       0.45454545 1.0 
      0.00000000       0.50000000       0.47727273 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47727273 1.0 
      0.50000000       0.00000000       0.45454545 1.0 
      0.50000000       0.00000000       0.43181818 1.0 
      0.50000000       0.00000000       0.40909091 1.0 
      0.50000000       0.00000000       0.38636364 1.0 
      0.50000000       0.00000000       0.36363636 1.0 
      0.50000000       0.00000000       0.34090909 1.0 
      0.50000000       0.00000000       0.31818182 1.0 
      0.50000000       0.00000000       0.29545455 1.0 
      0.50000000       0.00000000       0.27272727 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22727273 1.0 
      0.50000000       0.00000000       0.20454545 1.0 
      0.50000000       0.00000000       0.18181818 1.0 
      0.50000000       0.00000000       0.15909091 1.0 
      0.50000000       0.00000000       0.13636364 1.0 
      0.50000000       0.00000000       0.11363636 1.0 
      0.50000000       0.00000000       0.09090909 1.0 
      0.50000000       0.00000000       0.06818182 1.0 
      0.50000000       0.00000000       0.04545455 1.0 
      0.50000000       0.00000000       0.02272727 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.02272727 1.0 
      0.50000000       0.50000000       0.04545455 1.0 
      0.50000000       0.50000000       0.06818182 1.0 
      0.50000000       0.50000000       0.09090909 1.0 
      0.50000000       0.50000000       0.11363636 1.0 
      0.50000000       0.50000000       0.13636364 1.0 
      0.50000000       0.50000000       0.15909091 1.0 
      0.50000000       0.50000000       0.18181818 1.0 
      0.50000000       0.50000000       0.20454545 1.0 
      0.50000000       0.50000000       0.22727273 1.0 
      0.50000000       0.50000000       0.25000000 1.0 
      0.50000000       0.50000000       0.27272727 1.0 
      0.50000000       0.50000000       0.29545455 1.0 
      0.50000000       0.50000000       0.31818182 1.0 
      0.50000000       0.50000000       0.34090909 1.0 
      0.50000000       0.50000000       0.36363636 1.0 
      0.50000000       0.50000000       0.38636364 1.0 
      0.50000000       0.50000000       0.40909091 1.0 
      0.50000000       0.50000000       0.43181818 1.0 
      0.50000000       0.50000000       0.45454545 1.0 
      0.50000000       0.50000000       0.47727273 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

