Input 03-xc.gga_x_g96.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_g96 Eigenvalue up | -9.567110000000000e-01 | -9.721465000000000e-01 | 4.340000000000000e-05 | 1.543550000000005e-02 | FAIL |
| gga_x_g96 Eigenvalue dn | -4.864720000000000e-01 | -8.221695000000000e-01 | 4.130000000000000e-05 | 3.356975000000000e-01 | FAIL |
| gga_x_g96 Exchange | 0.000000000000000e+00 | -3.265492950000000e-01 | 4.020000000000000e-06 | 3.265492950000000e-01 | FAIL |
| gga_x_g96 Int[n*v_xc] | 0.000000000000000e+00 | -4.082864750000000e-01 | 4.850000000000000e-06 | 4.082864750000000e-01 | FAIL |