Input 03-xc.gga_xc_pbelyp1w.inp

Commits > Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 > Run foss_cmake: [foss2022a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
gga_xc_pbelyp1w Eigenvalue up -9.864140000000000e-01 -9.863740000000001e-01 4.400000000000000e-05 -3.999999999992898e-05 PASS
gga_xc_pbelyp1w Eigenvalue dn -8.639130000000000e-01 -8.638749999999999e-01 4.180000000000000e-05 -3.800000000009351e-05 PASS
gga_xc_pbelyp1w Correlation -3.347789700000000e-01 -3.347752450000000e-01 4.110000000000000e-06 -3.725000000009970e-06 PASS
gga_xc_pbelyp1w Int[n*v_xc] -4.280141100000000e-01 -4.280093950000000e-01 5.210000000000000e-06 -4.714999999988478e-06 PASS
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