&control prefix='GaAs', pseudo_dir = '/home/fuhr/espresso/pseudo', outdir='./output/' restart_mode = 'from_scratch' / &system ibrav= 2, celldm(1) = 10.62896, nat= 2, ntyp= 2, ecutwfc = 30.0, ecutrho = 300.0 london=.true. london_rcut = 150 london_s6 = 0.75 / &electrons / ATOMIC_SPECIES Ga 69.123 Ga.pbe-nsp-van.UPF As 74.92159 As.pbe-n-van.UPF ATOMIC_POSITIONS Ga 0.00 0.00 0.00 As 0.25 0.25 0.25 K_POINTS automatic 16 16 16 0 0 0