! Pwscf input file created with pymatgen.py 
! Compound: TiPd
&control
         calculation     = 'bands'
         prefix          = 'TiPd'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            5.2836738652439994
         celldm(2)       =            1.6355507868383408
         celldm(3)       =            1.7521459227467813
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        4
         ntyp            =        2
         ecutwfc         =       52.00000000
         ecutrho         =      576.00000000
         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
Ti  47.8670 Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Pd 106.4200 Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
512
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      0.00877193       0.00000000       0.00000000 1.0 
      0.01754386       0.00000000       0.00000000 1.0 
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      0.10526316      -0.00000000       0.00000000 1.0 
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      0.21052632      -0.00000000       0.00000000 1.0 
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      0.00000000       0.41428571       0.00000000 1.0 
      0.00000000       0.40000000       0.00000000 1.0 
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      0.00000000       0.37142857       0.00000000 1.0 
      0.00000000       0.35714286       0.00000000 1.0 
      0.00000000       0.34285714       0.00000000 1.0 
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      0.00000000       0.30000000       0.00000000 1.0 
      0.00000000       0.28571429       0.00000000 1.0 
      0.00000000       0.27142857       0.00000000 1.0 
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      0.00000000       0.10000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.16666667 1.0 
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      0.50000000       0.50000000       0.46969697 1.0 
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