Input 03-xc.gga_c_p86.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_p86 Eigenvalue up | -6.259850000000000e-01 | -5.442365000000000e-01 | 4.130000000000000e-05 | -8.174850000000000e-02 | FAIL |
| gga_c_p86 Eigenvalue dn | -5.735820000000000e-01 | -5.977200000000000e-01 | 2.860000000000000e-05 | 2.413799999999999e-02 | FAIL |
| gga_c_p86 Correlation | 0.000000000000000e+00 | -1.385534000000000e-02 | 8.799999999999999e-08 | 1.385534000000000e-02 | FAIL |
| gga_c_p86 Int[n*v_xc] | 0.000000000000000e+00 | -2.106853500000000e-02 | 1.700000000000000e-07 | 2.106853500000000e-02 | FAIL |