Match Hartree energy
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_autotools: [foss2023b-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)