&control calculation='scf' restart_mode='from_scratch', prefix='si' pseudo_dir='./' / &system ibrav= 8, celldm(1)= 10.26,celldm(2)= 1, celldm(3)=1, nat= 8, ntyp= 1, ecutwfc = 15.0 / &electrons diagonalization='david', conv_thr = 1.0d-10, mixing_beta = 0.5, startingwfc='random', / ATOMIC_SPECIES Si 1. Si.pz-vbc.UPF ATOMIC_POSITIONS (crystal) Si 0.00000 0.00000 0.00000 Si 0.50000 0.50000 0.00000 Si 0.00000 0.50000 0.50000 Si 0.50000 0.00000 0.50000 Si 0.25000 0.25000 0.25000 Si 0.75000 0.75000 0.25000 Si 0.75000 0.25000 0.75000 Si 0.25000 0.75000 0.75000 K_POINTS (automatic) 4 4 4 1 1 1