Input 03-xc.gga_x_b86_mgc.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_b86_mgc Eigenvalue up | -9.563560000000000e-01 | -9.711220000000000e-01 | 4.400000000000000e-05 | 1.476600000000006e-02 | FAIL |
| gga_x_b86_mgc Eigenvalue dn | -4.864720000000000e-01 | -8.191180000000000e-01 | 4.180000000000000e-05 | 3.326460000000000e-01 | FAIL |
| gga_x_b86_mgc Exchange | 0.000000000000000e+00 | -3.202705900000000e-01 | 4.010000000000000e-06 | 3.202705900000000e-01 | FAIL |
| gga_x_b86_mgc Int[n*v_xc] | 0.000000000000000e+00 | -4.068564700000000e-01 | 4.930000000000000e-06 | 4.068564700000000e-01 | FAIL |