Match B3LYP OEP Eigenvalue up
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 03-xc.b3lyp_oep.inp
Value | Reference | Precision | Status |
-1.019138000000000e+00 | -1.019171000000000e+00 | 3.630000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)