Match Hartree energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run cmake_foss_2022a_min_serial >
Input 03-sodium_chain.03-ground_state_disp.inp
Value | Reference | Precision | Status |
-4.551473570000000e+00 | -4.551473590000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)