Match B3LYP Fock Eigenvalue up
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 03-xc.b3lyp_fock.inp
| Value | Reference | Precision | Status |
| -1.019204000000000e+00 | -1.019171000000000e+00 | 3.630000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)