Input 03-xc.gga_x_g96.inp

Commits > Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
gga_x_g96 Eigenvalue up -9.721860000000000e-01 -9.721465000000000e-01 4.340000000000000e-05 -3.949999999997011e-05 PASS
gga_x_g96 Eigenvalue dn -8.222070000000000e-01 -8.221695000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_x_g96 Exchange -3.265529300000000e-01 -3.265492950000000e-01 4.020000000000000e-06 -3.635000000001831e-06 PASS
gga_x_g96 Int[n*v_xc] -4.082908600000000e-01 -4.082864750000000e-01 4.850000000000000e-06 -4.384999999940131e-06 PASS
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