Match PBE0 Fock Eigenvalue up
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run foss_mpi_min_autotools: [foss2023a-mpi] >
Input 03-xc.pbe0_fock.inp
Value | Reference | Precision | Status |
-1.024753000000000e+00 | -1.024722000000000e+00 | 3.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)