Match Initial energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_intel-2023a_impi >
Input 19-td_move_ions.01-gs.inp
Value | Reference | Precision | Status |
-2.964437839000000e+01 | -2.964437839000000e+01 | 1.480000000000000e-09 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)