Match Hartree-Fock eigenvalue up
Commits >
Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e >
Run eb_foss-2022a_mpi_debug >
Input 03-xc.01-gs.inp
Value | Reference | Precision | Status |
-1.128668000000000e+00 | -1.128664000000000e+00 | 4.400000000000000e-06 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)