Match Initial energy
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 19-td_move_ions.01-gs.inp
Value | Reference | Precision | Status |
-2.964437820000000e+01 | -2.964437820000000e+01 | 1.480000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)