Match B3LYP Fock Eigenvalue up
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run spack_foss-2022a_ppc >
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)