Input 03-xc.gga_x_bayesian.inp

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_x_bayesian Eigenvalue up -9.530380000000001e-01 -9.673790000000000e-01 4.400000000000000e-05 1.434099999999994e-02 FAIL
gga_x_bayesian Eigenvalue dn -4.864720000000000e-01 -8.179695000000000e-01 4.130000000000000e-05 3.314975000000000e-01 FAIL
gga_x_bayesian Exchange 0.000000000000000e+00 -3.191648950000000e-01 4.000000000000000e-06 3.191648950000000e-01 FAIL
gga_x_bayesian Int[n*v_xc] 0.000000000000000e+00 -4.036324550000000e-01 4.860000000000000e-06 4.036324550000000e-01 FAIL
Compare to other inputs