Match Hartree energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run cmake_foss_2022a_full_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)