Input 03-xc.mvorb_hse06_fock.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| MVORB HSE06 Fock Correlation | -2.072217000000000e-01 | -2.072237000000000e-01 | 2.180000000000000e-06 | 2.000000000002000e-06 | PASS |
| MVORB HSE06 Fock Int[n*v_xc] | -2.586610100000000e-01 | -2.586638600000000e-01 | 3.130000000000000e-06 | 2.849999999998687e-06 | PASS |
| MVORB HSE06 Fock Total | -7.874152500000000e-01 | -7.874097100000000e-01 | 6.090000000000000e-06 | -5.539999999970568e-06 | PASS |
| MVORB HSE06 Fock Eigenvalue up (libxc5) | -8.086150000000000e-01 | -8.085909999999999e-01 | 4.040000000000000e-05 | -2.400000000002400e-05 | PASS |
| MVORB HSE06 Fock Eigenvalue dn (libxc5) | -5.422340000000000e-01 | -5.422330000000000e-01 | 2.710000000000000e-05 | -1.000000000028756e-06 | PASS |