&control calculation='scf', / &system space_group=154, celldm(1)=9.284, celldm(3)=1.100, nat = 2, ntyp= 2, ecutwfc = 30.0, ecutrho = 150.0 / &electrons diagonalization='david', conv_thr = 1.d-8 / ATOMIC_SPECIES Si 28.086 Si.pbe-rrkj.UPF O 15.9994 O.pbe-rrkjus.UPF ATOMIC_POSITIONS crystal_sg Si 3a 0.4697 O 0.4125 0.2662 0.7855 K_POINTS automatic 2 2 2 0 0 0