Match Hartree energy
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run eb_foss-2022a_mpi >
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)