Match B3LYP OEP Exchange
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss-mpi-debug: [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)