Match Initial energy
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss-omp-full: [foss2023a-serial] >
Input 22-td_move_ions_periodic.01-gs.inp
Value | Reference | Precision | Status |
-2.965691066000000e+01 | -2.965691066000000e+01 | 1.480000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)