Match Initial energy
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Run cmake_foss_2022a_full_serial >
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)