Match B3LYP Fock Eigenvalue up
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Run spack_foss-2023a_serial >
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)