Match Initial energy
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run intel-2022b >
Input 22-td_move_ions_periodic.01-gs.inp
Value | Reference | Precision | Status |
-2.965697183000000e+01 | -2.965697182000000e+01 | 1.480000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)