Input 03-xc.mvorb_hse06_fock.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| MVORB HSE06 Fock Correlation | -2.072255000000000e-01 | -2.072237000000000e-01 | 2.180000000000000e-06 | -1.799999999996249e-06 | PASS |
| MVORB HSE06 Fock Int[n*v_xc] | -2.586664700000000e-01 | -2.586638600000000e-01 | 3.130000000000000e-06 | -2.609999999958479e-06 | PASS |
| MVORB HSE06 Fock Total | -7.874043100000000e-01 | -7.874097100000000e-01 | 6.090000000000000e-06 | 5.400000000044258e-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) | -5.422320000000000e-01 | -5.422330000000000e-01 | 2.710000000000000e-05 | 9.999999999177334e-07 | PASS |