Match B3LYP Fock Eigenvalue dn
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Run spack_foss-2022a_mpi_min >
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)