! Pwscf input file created with pymatgen.py 
! Compound: LaAu
&control
         calculation     = 'bands'
         prefix          = 'LaAu'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.2213171958231985
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8049759283858606
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.7787546306964216
         nat             =        4
         ntyp            =        2
         ecutwfc         =       50.00000000
         ecutrho         =      424.00000000
         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
La 138.9055 La.rel-pbe-n-nc.UPF 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
392
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     -0.50000000       0.50000000       0.24242424 1.0 
     -0.50000000       0.50000000       0.22727273 1.0 
     -0.50000000       0.50000000       0.21212121 1.0 
     -0.50000000       0.50000000       0.19696970 1.0 
     -0.50000000       0.50000000       0.18181818 1.0 
     -0.50000000       0.50000000       0.16666667 1.0 
     -0.50000000       0.50000000       0.15151515 1.0 
     -0.50000000       0.50000000       0.13636364 1.0 
     -0.50000000       0.50000000       0.12121212 1.0 
     -0.50000000       0.50000000       0.10606061 1.0 
     -0.50000000       0.50000000       0.09090909 1.0 
     -0.50000000       0.50000000       0.07575758 1.0 
     -0.50000000       0.50000000       0.06060606 1.0 
     -0.50000000       0.50000000       0.04545455 1.0 
     -0.50000000       0.50000000       0.03030303 1.0 
     -0.50000000       0.50000000       0.01515152 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.50000000 1.0 
     -0.01724138       0.01724138       0.50000000 1.0 
     -0.03448276       0.03448276       0.50000000 1.0 
     -0.05172414       0.05172414       0.50000000 1.0 
     -0.06896552       0.06896552       0.50000000 1.0 
     -0.08620690       0.08620690       0.50000000 1.0 
     -0.10344828       0.10344828       0.50000000 1.0 
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     -0.15517241       0.15517241       0.50000000 1.0 
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     -0.31034483       0.31034483       0.50000000 1.0 
     -0.32758621       0.32758621       0.50000000 1.0 
     -0.34482759       0.34482759       0.50000000 1.0 
     -0.36206897       0.36206897       0.50000000 1.0 
     -0.37931034       0.37931034       0.50000000 1.0 
     -0.39655172       0.39655172       0.50000000 1.0 
     -0.41379310       0.41379310       0.50000000 1.0 
     -0.43103448       0.43103448       0.50000000 1.0 
     -0.44827586       0.44827586       0.50000000 1.0 
     -0.46551724       0.46551724       0.50000000 1.0 
     -0.48275862       0.48275862       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

