Match B3LYP Fock Eigenvalue dn
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run cmake_foss_2022a_full_mpi >
Input 03-xc.b3lyp_fock.inp
| Value | Reference | Precision | Status |
| -8.379600000000000e-01 | -8.379245000000000e-01 | 3.910000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 dn', 3)