Input 03-xc.gga_xc_b97_d.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
gga_xc_b97_d Eigenvalue up -9.869170000000000e-01 -9.868770000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_xc_b97_d Eigenvalue dn -8.794880000000000e-01 -8.794480000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_xc_b97_d Correlation -3.405989800000000e-01 -3.405951950000000e-01 4.150000000000000e-06 -3.784999999978389e-06 PASS
gga_xc_b97_d Int[n*v_xc] -4.315314500000000e-01 -4.315265750000000e-01 5.350000000000000e-06 -4.874999999959773e-06 PASS
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