Match Hartree-Fock eigenvalue dn
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 03-xc.01-gs.inp
Value | Reference | Precision | Status |
-6.835000000000000e-01 | -6.834740000000000e-01 | 2.860000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 dn', 3)