Match B3LYP OEP Exchange
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 03-xc.b3lyp_oep.inp
Value | Reference | Precision | Status |
-5.057348000000000e-02 | -5.057615000000000e-02 | 2.940000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Exchange =', 3)