Input 03-xc.gga_xc_mpwlyp1w.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_opt_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_xc_mpwlyp1w Eigenvalue up -9.856540000000000e-01 -9.856140000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_xc_mpwlyp1w Eigenvalue dn -8.613189999999999e-01 -8.612810000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_xc_mpwlyp1w Correlation -3.344321400000000e-01 -3.344284050000000e-01 4.100000000000000e-06 -3.735000000004707e-06 PASS
gga_xc_mpwlyp1w Int[n*v_xc] -4.268876300000000e-01 -4.268828900000000e-01 5.210000000000000e-06 -4.740000000003075e-06 PASS
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