Match Hartree energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_min_autotools: [foss2023b-serial] >
Input 01-nio.01-U5-gs.inp
| Value | Reference | Precision | Status |
| 6.827684757000000e+01 | 6.827684844000001e+01 | 3.660000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)