&CONTROL calculation = 'scf' , restart_mode = 'from_scratch' , outdir = '/home/mohsen/Desktop/temp/1/gaasdv/' , pseudo_dir = '/home/mohsen/Desktop/temp/gaas/' , prefix = 'gaas' , / &SYSTEM ibrav = 2, celldm(1) = 8.6, nat = 2, ntyp = 2, ecutwfc = 25 , ecutrho = 300 , occupations = 'fixed' , / &ELECTRONS conv_thr = 0.0000000001 , / ATOMIC_SPECIES ga 69.72300 ga.UPF as 74.92160 as.UPF ATOMIC_POSITIONS alat ga 0.250000000 0.250000000 0.250000000 as -0.250000000 -0.250000000 -0.250000000 K_POINTS automatic 8 8 8 1 1 1