Match Hartree energy
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi] >
Input 28-carbon_big_box.01-ground_state.inp
| Value | Reference | Precision | Status |
| 1.067933980000000e+00 | 1.067941250000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)