Match Hartree energy
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run intel-2022a >
Input 03-sodium_chain.03-ground_state_disp.inp
Value | Reference | Precision | Status |
-4.551474820000000e+00 | -4.551474820000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)