! Pwscf input file created with pymatgen.py 
! Compound: LiIr3
&control
         calculation     = 'scf'
         prefix          = 'LiIr3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.6612212083992226
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.8633619825148944
         celldm(5)       =           -0.5827530398561842
         celldm(6)       =            0.4461150223710788
         nat             =        4
         ntyp            =        2
         ecutwfc         =       50.00000000
         ecutrho         =      325.00000000
         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
Li   6.9410 Li.rel-pbe-sl-rrkjus_psl.1.0.0.UPF 
Ir 192.2170 Ir.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS automatic
6 10 11 0 0 0