Input 03-xc.gga_x_bayesian.inp

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
gga_x_bayesian Eigenvalue up -9.673389999999999e-01 -9.673790000000000e-01 4.400000000000000e-05 4.000000000004000e-05 PASS
gga_x_bayesian Eigenvalue dn -8.179320000000000e-01 -8.179695000000000e-01 4.130000000000000e-05 3.750000000002363e-05 PASS
gga_x_bayesian Exchange -3.191612700000000e-01 -3.191648950000000e-01 4.000000000000000e-06 3.625000000007095e-06 PASS
gga_x_bayesian Int[n*v_xc] -4.036280500000000e-01 -4.036324550000000e-01 4.860000000000000e-06 4.404999999985115e-06 PASS
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