&control calculation = 'vc-relax' / &system ibrav= 0, celldm(1) = 1.889725989 !Ang to a.u. conv. nat= 2, ntyp= 1, ecutwfc=20 occupations = 'smearing' smearing='mp' degauss=0.01 nspin = 1 starting_magnetization(1) = +.5 / &electrons conv_thr = 1.0d-6 / &ions ion_dynamics='bfgs' / &cell cell_dynamics='bfgs' / CELL_PARAMETERS {alat} 0.000000000 2.893335939 2.893335939 2.893335939 0.000000000 2.893335939 2.893335939 2.893335939 0.000000000 ATOMIC_SPECIES Ge 72.610 Ge.pbe-kjpaw.UPF ATOMIC_POSITIONS {crystal} Ge 0.00 0.00 0.00 Ge 0.25 0.25 0.25 K_POINTS {automatic} 4 4 4 1 1 1