Match Hartree energy
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Run intel-2022b_impi >
Input 12-boron_nitride.02-gs_gamma.inp
Value | Reference | Precision | Status |
-5.224783993600000e+02 | -5.224783993300000e+02 | 2.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)