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