! Pwscf input file created with pymatgen.py 
! Compound: TiGe2
&control
         calculation     = 'scf'
         prefix          = 'TiGe2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.6601142380046578
         celldm(2)       =            0.8258134898720333
         celldm(3)       =            0.8065802188483889
         celldm(4)       =            0.2496225381639396
         celldm(5)       =            0.6004385594565111
         celldm(6)       =            0.6244728884102727
         nat             =        6
         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
Ge  72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ti  47.8670 Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS automatic
6 6 6 0 0 0