&CONTROL calculation='scf', outdir='./', prefix='si', pseudo_dir='.', verbosity='high', tstress=.false., tprnfor=.false., / &SYSTEM ibrav=2, celldm(1)=10.2623466921d0, nat=2, ntyp=1, ecutwfc=40.0d0, ecutrho=300.0d0, nbnd=10, occupations='smearing' degauss=0.001 / &ELECTRONS conv_thr = 1.0000000000d-08 electron_maxstep = 50 mixing_beta = 2.5000000000d-01 scf_must_converge = .false. / ATOMIC_SPECIES Si 28.085500d0 Si.pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS {alat} Si 0.0000000000d0 0.0000000000d0 0.0000000000d0 Si 0.2500000000d0 0.2500000000d0 0.2500000000d0 K_POINTS automatic 6 6 6 1 1 1