Match Hartree energy
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run intel-2022b >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.242796931000000e+02 | -5.242796937400001e+02 | 7.040000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)