Match Hartree energy
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-ppc: [foss2022a-serial] >
Input 16-sodium_chain_cylinder.01-ground_state.inp
Value | Reference | Precision | Status |
-4.526368100000000e+00 | -4.526368100000000e+00 | 2.260000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)