&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 = 25.0 , ecutrho = 300.0 , nbnd = 10, / &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 36 0.000000000 0.000000000 0.000000000 1.000000000 0.100000000 0.000000000 0.000000000 1.000000000 0.200000000 0.000000000 0.000000000 1.000000000 0.300000000 0.000000000 0.000000000 1.000000000 0.400000000 0.000000000 0.000000000 1.000000000 0.500000000 0.000000000 0.000000000 1.000000000 0.600000000 0.000000000 0.000000000 1.000000000 0.700000000 0.000000000 0.000000000 1.000000000 0.800000000 0.000000000 0.000000000 1.000000000 0.900000000 0.000000000 0.000000000 1.000000000 1.000000000 0.000000000 0.000000000 1.000000000 1.000000000 0.100000000 0.000000000 1.000000000 1.000000000 0.200000000 0.000000000 1.000000000 1.000000000 0.300000000 0.000000000 1.000000000 1.000000000 0.400000000 0.000000000 1.000000000 1.000000000 0.500000000 0.000000000 1.000000000 0.900000000 0.500000000 0.100000000 1.000000000 0.800000000 0.500000000 0.200000000 1.000000000 0.700000000 0.500000000 0.300000000 1.000000000 0.600000000 0.500000000 0.400000000 1.000000000 0.500000000 0.500000000 0.500000000 1.000000000 0.400000000 0.400000000 0.400000000 1.000000000 0.300000000 0.300000000 0.300000000 1.000000000 0.200000000 0.200000000 0.200000000 1.000000000 0.100000000 0.100000000 0.100000000 1.000000000 0.000000000 0.000000000 0.000000000 1.000000000 0.100000000 0.000000000 0.000000000 1.000000000 0.200000000 0.000000000 0.000000000 1.000000000 0.300000000 0.000000000 0.000000000 1.000000000 0.400000000 0.000000000 0.000000000 1.000000000 0.500000000 0.000000000 0.000000000 1.000000000 0.600000000 0.000000000 0.000000000 1.000000000 0.700000000 0.000000000 0.000000000 1.000000000 0.800000000 0.000000000 0.000000000 1.000000000 0.900000000 0.000000000 0.000000000 1.000000000 1.000000000 0.000000000 0.000000000 1.000000000