Input 03-xc.mvorb_hse06_fock.inp

Commits > Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
MVORB HSE06 Fock Correlation -2.072256700000000e-01 -2.072237000000000e-01 2.180000000000000e-06 -1.969999999990035e-06 PASS
MVORB HSE06 Fock Int[n*v_xc] -2.586667000000000e-01 -2.586638600000000e-01 3.130000000000000e-06 -2.840000000003950e-06 PASS
MVORB HSE06 Fock Total -7.874041700000000e-01 -7.874097100000000e-01 6.090000000000000e-06 5.540000000081591e-06 PASS
MVORB HSE06 Fock Eigenvalue up -8.086150000000000e-01 -8.085909999999999e-01 4.040000000000000e-05 -2.400000000002400e-05 PASS
MVORB HSE06 Fock Eigenvalue dn -5.422320000000000e-01 -5.422330000000000e-01 2.710000000000000e-05 9.999999999177334e-07 PASS
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