Match Hartree energy
Commits >
Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e >
Run intel-2022a >
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)