! Pwscf input file created with pymatgen.py 
! Compound: In2Se3
&control
         calculation     = 'bands'
         prefix          = 'In2Se3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           18.6533855914860176
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.9158290193727963
         celldm(5)       =            0.9158290193727963
         celldm(6)       =            0.9158290193727963
         nat             =        5
         ntyp            =        2
         ecutwfc         =       41.00000000
         ecutrho         =      217.00000000
         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
In 114.8180 In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
292
      0.00000000       0.00000000       0.00000000 1.0 
      0.01086957       0.00000000       0.00000000 1.0 
      0.02173913       0.00000000       0.00000000 1.0 
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      0.06521739       0.00000000       0.00000000 1.0 
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      0.61415000       0.50000000       0.38585000 1.0 
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      0.56341667       0.50000000       0.43658333 1.0 
      0.55707500       0.50000000       0.44292500 1.0 
      0.55073333       0.50000000       0.44926667 1.0 
      0.54439167       0.50000000       0.45560833 1.0 
      0.53805000       0.50000000       0.46195000 1.0 
      0.53170833       0.50000000       0.46829167 1.0 
      0.52536667       0.50000000       0.47463333 1.0 
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      0.51268333       0.50000000       0.48731667 1.0 
      0.50634167       0.50000000       0.49365833 1.0 
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      0.44117647       0.44117647       0.44117647 1.0 
      0.41176471       0.41176471       0.41176471 1.0 
      0.38235294       0.38235294       0.38235294 1.0 
      0.35294118       0.35294118       0.35294118 1.0 
      0.32352941       0.32352941       0.32352941 1.0 
      0.29411765       0.29411765       0.29411765 1.0 
      0.26470588       0.26470588       0.26470588 1.0 
      0.23529412       0.23529412       0.23529412 1.0 
      0.20588235       0.20588235       0.20588235 1.0 
      0.17647059       0.17647059       0.17647059 1.0 
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      0.11764706       0.11764706       0.11764706 1.0 
      0.08823529       0.08823529       0.08823529 1.0 
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      0.02941176       0.02941176       0.02941176 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.23616297      -0.00000000      -0.23616297 1.0 
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      0.82342501       0.33828750       0.33828750 1.0 

