Input 03-xc.mvorb_hse06_fock.inp

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Run cuda-serial: [foss2022a-cuda-mpi]

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
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