Match Hartree energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_autotools: [foss2022a-serial] >
Input 28-carbon_big_box.01-ground_state.inp
| Value | Reference | Precision | Status |
| 1.067930460000000e+00 | 1.067941250000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)