&CONTROL calculation='scf', outdir='.', prefix='diamondGe', pseudo_dir='.', verbosity='low', tstress=.true., / &SYSTEM ibrav=2, celldm(1)=10.6908420908d0, nat=2, ntyp=1, ecutwfc=40, ecutrho=240, input_dft='pbe', occupations='smearing', smearing='mv', degauss=0.005d0, / &ELECTRONS conv_thr=1d-08, mixing_beta=0.7d0, / ATOMIC_SPECIES Ge 72.640000d0 Ge.pbe-dn-kjpaw_psl.0.2.2.UPF ATOMIC_POSITIONS {crystal} Ge 0.0000000000d0 0.0000000000d0 0.0000000000d0 Ge 0.2500000000d0 0.2500000000d0 0.2500000000d0 K_POINTS {automatic} 15 15 15 0 0 0