Input 03-xc.mvorb_hse06_fock.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2022a_mpi_min

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
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