# Ge LDA band structure set cell 5.34 5.34 0 0 5.34 5.34 5.34 0 5.34 species germanium Ge_BHS_LDA.xml atom Ge1 germanium 1.3350 1.3350 1.3350 atom Ge2 germanium -1.3350 -1.3350 -1.3350 set ecut 30 kp12fcc.i kp_gamma_x_l.i set nempty 16 set wf_dyn JD set ecutprec 5 randomize_wf 0.1 run 0 15 4 set wf_diag T set stress ON set debug STRESS run 0 save gs.xml