Match B3LYP OEP Eigenvalue up
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 03-xc.b3lyp_oep.inp
Value | Reference | Precision | Status |
-1.019204000000000e+00 | -1.019171000000000e+00 | 3.630000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)