&control calculation='scf' restart_mode='from_scratch', tstress = .true. tprnfor = .true. prefix='silicon', pseudo_dir='/users/sol/risueno/Asier/esp4/pseudo' outdir = '.', / &system ibrav= 2, celldm(1) =10.2, nat= 2, ntyp= 1, ecutwfc = 12.0, / &electrons / ATOMIC_SPECIES Si 28.086 Si.vbc.UPF ATOMIC_POSITIONS Si 0.00 0.00 0.00 Si 0.25 0.25 0.25 K_POINTS 2 0.25 0.25 0.75 3.0 0.25 0.25 0.25 1.0