Match Hartree energy
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Run intel-2022b_impi >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.242690770299999e+02 | -5.242690683700000e+02 | 1.890000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)