Match B3LYP OEP Eigenvalue dn
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 03-xc.b3lyp_oep.inp
Value | Reference | Precision | Status |
-8.379600000000000e-01 | -8.379245000000000e-01 | 3.910000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 dn', 3)