Match Hartree energy
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_min_autotools: [foss2022a-serial] >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-4.551474930000000e+00 | -4.551474860000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)