Match B3LYP Fock Eigenvalue dn
Commits >
Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 >
Run cmake_foss_2022a_min_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)