Input 03-xc.gga_x_ft97_b.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
gga_x_ft97_b Eigenvalue up -9.721300000000000e-01 -9.720900000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_x_ft97_b Eigenvalue dn -8.265850000000000e-01 -8.265470000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_ft97_b Exchange -3.288272300000000e-01 -3.288234400000000e-01 4.170000000000000e-06 -3.790000000003513e-06 PASS
gga_x_ft97_b Int[n*v_xc] -4.091212100000000e-01 -4.091167250000000e-01 4.920000000000000e-06 -4.484999999998518e-06 PASS
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