&control calculation='relax' prefix='Si' pseudo_dir='./pseudo/' outdir = './tmp/' etot_conv_thr = 1.d-5 forc_conv_thr = 1.d-4 / &system ibrav= 2, celldm(1) =10.2, nat= 2, ntyp= 1, ecutwfc = 30.0, / &electrons conv_thr = 1.0d-8 / &ions / ATOMIC_SPECIES Si 28.086 Si.pz-vbc.UPF ATOMIC_POSITIONS Si 0.00 0.00 0.00 0 0 0 Si 0.22 0.23 0.24 K_POINTS automatic 6 6 6 1 1 1