Input 03-xc.gga_c_xpbe.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022a_debug

Matches

Name Value Reference Precision Difference Status
gga_c_xpbe Eigenvalue up -5.456950000000000e-01 -5.456575000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_c_xpbe Eigenvalue dn -5.878450000000000e-01 -5.878190000000000e-01 2.860000000000000e-05 -2.599999999997049e-05 PASS
gga_c_xpbe Correlation -1.404658000000000e-02 -1.404643000000000e-02 1.650000000000000e-07 -1.500000000008439e-07 PASS
gga_c_xpbe Int[n*v_xc] -2.022489000000000e-02 -2.022469000000000e-02 2.200000000000000e-07 -1.999999999988122e-07 PASS
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