Input 03-xc.mvorb_hse06_fock.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| MVORB HSE06 Fock Correlation | -2.072221500000000e-01 | -2.072237000000000e-01 | 2.180000000000000e-06 | 1.550000000016816e-06 | PASS |
| MVORB HSE06 Fock Int[n*v_xc] | -2.586616100000000e-01 | -2.586638600000000e-01 | 3.130000000000000e-06 | 2.250000000036945e-06 | PASS |
| MVORB HSE06 Fock Total | -1.181777170000000e+00 | -7.874097100000000e-01 | 6.090000000000000e-06 | -3.943674599999999e-01 | FAIL |
| MVORB HSE06 Fock Eigenvalue up | -9.035700000000000e-01 | -8.085909999999999e-01 | 4.040000000000000e-05 | -9.497900000000004e-02 | FAIL |
| MVORB HSE06 Fock Eigenvalue dn | -5.571460000000000e-01 | -5.422330000000000e-01 | 2.710000000000000e-05 | -1.491300000000007e-02 | FAIL |