Input 03-xc.gga_x_b86.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_b86 Eigenvalue up -9.721220000000000e-01 -9.720825000000000e-01 4.350000000000000e-05 -3.950000000008114e-05 PASS
gga_x_b86 Eigenvalue dn -8.211930000000000e-01 -8.211550000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_b86 Exchange -3.220196600000000e-01 -3.220159700000000e-01 4.060000000000000e-06 -3.690000000000637e-06 PASS
gga_x_b86 Int[n*v_xc] -4.080367900000000e-01 -4.080322900000000e-01 4.950000000000000e-06 -4.500000000018378e-06 PASS
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