Match Correlation energy
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run cmake_foss_2022a_full_mpi >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| -3.387863790000000e+00 | -3.387863770000000e+00 | 1.690000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Correlation =', 3)