Input 03-xc.gga_xc_xlyp.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022b_libxc6

Matches

Name Value Reference Precision Difference Status
gga_xc_xlyp Eigenvalue up -9.855850000000000e-01 -9.855450000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_xc_xlyp Eigenvalue dn -8.601799999999999e-01 -8.601420000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_xc_xlyp Correlation -3.350608200000000e-01 -3.350570800000000e-01 4.140000000000000e-06 -3.739999999974319e-06 PASS
gga_xc_xlyp Int[n*v_xc] -4.266042900000000e-01 -4.265995350000000e-01 5.250000000000000e-06 -4.754999999967424e-06 PASS
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