Match Initial energy
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
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)