1 &control 2 calculation = 'scf' 3 / 4 &system 5 ibrav=2, celldm(1) =10.20, 6 nat=2, ntyp=1, 7 ecutwfc=12.0 8 / 9 &electrons 10 mixing_mode = 'local-TF' 11 / 12ATOMIC_SPECIES 13 Si 28.086 Si.pz-vbc.UPF 14ATOMIC_POSITIONS (alat) 15 Si 0.00 0.00 0.00 16 Si 0.25 0.25 0.25 17K_POINTS 18 2 19 0.250000 0.250000 0.250000 1.00 20 0.250000 0.250000 0.750000 3.00 21