Input 03-xc.gga_x_lb.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_lb Eigenvalue up | -1.078486000000000e+00 | -1.125998000000000e+00 | 4.510000000000000e-05 | 4.751200000000000e-02 | FAIL |
| gga_x_lb Eigenvalue dn | -4.864840000000000e-01 | -9.455880000000001e-01 | 4.840000000000000e-05 | 4.591040000000001e-01 | FAIL |
| gga_x_lb Exchange | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| gga_x_lb Int[n*v_xc] | 0.000000000000000e+00 | -5.560516900000000e-01 | 7.390000000000000e-06 | 5.560516900000000e-01 | FAIL |