Match B3LYP Fock Eigenvalue dn
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2022a_cuda_serial >
Input 03-xc.b3lyp_fock.inp
Value | Reference | Precision | Status |
-8.378890000000000e-01 | -8.379245000000000e-01 | 3.910000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 dn', 3)