Input 03-xc.mvorb_hse06_fock.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
MVORB HSE06 Fock Correlation | 0.000000000000000e+00 | -2.072237000000000e-01 | 2.180000000000000e-06 | 2.072237000000000e-01 | FAIL |
MVORB HSE06 Fock Int[n*v_xc] | 0.000000000000000e+00 | -2.586638600000000e-01 | 3.130000000000000e-06 | 2.586638600000000e-01 | FAIL |
MVORB HSE06 Fock Total | 3.379220900000000e-01 | -7.874097100000000e-01 | 6.090000000000000e-06 | 1.125331800000000e+00 | FAIL |
MVORB HSE06 Fock Eigenvalue up | -7.352670000000000e-01 | -8.085909999999999e-01 | 4.040000000000000e-05 | 7.332399999999994e-02 | FAIL |
MVORB HSE06 Fock Eigenvalue dn | 8.302892000000000e+00 | -5.422330000000000e-01 | 2.710000000000000e-05 | 8.845124999999999e+00 | FAIL |