Match Hartree energy
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run foss_cmake: [foss2022a-serial, foss-min] >
Input 12-boron_nitride.02-gs_gamma.inp
Value | Reference | Precision | Status |
-5.223230991100000e+02 | -5.223230991099999e+02 | 2.610000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)