GaAs
 &control
     calculation     =  'scf'
     restart_mode    =  'from_scratch'
     prefix          =  'GaAs',
     pseudo_dir      =  '../../pseudo/',
     outdir          =  './'
     wf_collect      =  .true.
/
 &system
     ibrav           =   2,
     celldm(1)       =  10.68,
     nat             =   2,
     ntyp            =   2,
     ecutwfc         =  35.0,
     ecutrho         = 150.0,
     occupations     =   'smearing'
     smearing        =   'm-p'
     degauss         =   0.01
     use_all_frac    =   .true.
/
 &electrons
     mixing_beta = 0.7
     conv_thr = 1.0d-8
/
ATOMIC_SPECIES
Ga  68.926  Ga.pbe-dn-kjpaw_psl.0.2.UPF
As  74.922  As.pbe-n-kjpaw_psl.0.2.UPF 
ATOMIC_POSITIONS {crystal}
Ga 0.00 0.00 0.00
As 0.25 0.25 0.25
K_POINTS {automatic}
4 4 4 0 0 0
