Input 03-xc.gga_x_dk87_r1.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_dk87_r1 Eigenvalue up | -9.560689999999999e-01 | -9.704200000000001e-01 | 4.400000000000000e-05 | 1.435100000000011e-02 | FAIL |
| gga_x_dk87_r1 Eigenvalue dn | -4.864720000000000e-01 | -8.183650000000000e-01 | 4.180000000000000e-05 | 3.318930000000000e-01 | FAIL |
| gga_x_dk87_r1 Exchange | 0.000000000000000e+00 | -3.202535150000000e-01 | 4.000000000000000e-06 | 3.202535150000000e-01 | FAIL |
| gga_x_dk87_r1 Int[n*v_xc] | 0.000000000000000e+00 | -4.061443300000000e-01 | 4.940000000000000e-06 | 4.061443300000000e-01 | FAIL |