&CONTROL
calculation     = 'scf'
pseudo_dir      = './'
outdir          = './'
prefix          = 'GaAs'
/
&SYSTEM
ibrav           = 2
celldm(1)       = 10.22
nat             = 8
ntyp            = 2
ecutwfc         = 15.0
occupations     = 'fixed'
/
&ELECTRONS
mixing_beta     = 0.5
conv_thr        = 1.0d-8
/
ATOMIC_SPECIES
Ga  69.72  Ga.pbe-dn-kjpaw_psl.1.0.0.UPF
As  74.92  As.pbe-n-rrkjus_psl.0.2.UPF
ATOMIC_POSITIONS (crystal)
Ga  0.0000000000       0.0000000000       0.0000000000 
Ga  0.5000000000       0.5000000000       0.0000000000 
Ga  0.5000000000       0.0000000000       0.5000000000 
Ga  0.0000000000       0.5000000000       0.5000000000 
As  0.7500000000       0.2500000000       0.2500000000 
As  0.2500000000       0.7500000000       0.2500000000 
As  0.2500000000       0.2500000000       0.7500000000 
As  0.7500000000       0.7500000000       0.7500000000
K_POINTS (automatic)
8 8 8 0 0 0
