Match B3LYP Fock Eigenvalue up
Commits >
Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 >
Run eb_foss-2022b_libxc6 >
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)