Match Hartree energy
Commits >
Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e >
Run eb_foss-2022a_debug >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.242796943600000e+02 | -5.242796937400001e+02 | 7.040000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)