1 # Si4 ground state 2 set cell 16 0 0 0 16 0 0 0 16 3 set ref_cell 18 0 0 0 18 0 0 0 18 4 species silicon Si_VBC_LDA-1.0.xml 5 atom Si1 silicon 3.700 -0.100 0.300 6 atom Si2 silicon -0.100 2.800 -0.200 7 atom Si3 silicon -3.700 0.100 0.300 8 atom Si4 silicon -0.100 -2.800 -0.200 9 strain 0.02 0.04 0.06 0.03 0.05 0.07 10 params.i 11 set wf_dyn PSDA 12 set stress ON 13 set debug STRESS ON 14 randomize_wf 15 set scf_tol 1.e-9 16 run 0 300 17 save gs.xml 18