Match Hartree energy
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_min_autotools: [foss2023a-serial] >
Input 12-boron_nitride.02-gs_gamma.inp
Value | Reference | Precision | Status |
-5.223230991100000e+02 | -5.223230991099999e+02 | 2.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)