Input 03-xc.gga_x_bayesian.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
gga_x_bayesian Eigenvalue up -9.674190000000000e-01 -9.673790000000000e-01 4.400000000000000e-05 -4.000000000004000e-05 PASS
gga_x_bayesian Eigenvalue dn -8.180070000000000e-01 -8.179695000000000e-01 4.130000000000000e-05 -3.750000000002363e-05 PASS
gga_x_bayesian Exchange -3.191685400000000e-01 -3.191648950000000e-01 4.000000000000000e-06 -3.644999999996568e-06 PASS
gga_x_bayesian Int[n*v_xc] -4.036368700000000e-01 -4.036324550000000e-01 4.860000000000000e-06 -4.414999999979852e-06 PASS
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