&control calculation = 'scf' tstress=.true. / &system ibrav=2, celldm(1) =10.20, nat=2, ntyp=1, ecutwfc=12.0 use_all_frac=.true. / &electrons / ATOMIC_SPECIES Si 28.086 Si.pz-vbc.UPF ATOMIC_POSITIONS alat Si 0.00 0.00 0.00 Si 0.25 0.25 0.25 K_POINTS 2 0.250000 0.250000 0.250000 1.00 0.250000 0.250000 0.750000 3.00