Match PBE0 Fock Eigenvalue up
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 03-xc.pbe0_fock.inp
Value | Reference | Precision | Status |
-1.474102000000000e+00 | -1.024722000000000e+00 | 3.410000000000000e-05 | FAIL |
Command: GREPFIELD(static/info, ' 1 up', 3)