Match Hartree energy
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_debug_autotools: [foss2023a-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)