Match MVORB HSE06 Fock Eigenvalue up
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss-mpi-min: [foss2023a-mpi] >
Input 03-xc.mvorb_hse06_fock.inp
Value | Reference | Precision | Status |
-9.035700000000000e-01 | -8.085909999999999e-01 | 4.040000000000000e-05 | FAIL |
Command: GREPFIELD(static/info, ' 1 up', 3)