Match B3LYP OEP Eigenvalue dn
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run foss-mpi-opt-full: [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)