Input 03-xc.gga_xc_mpwlyp1w.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_mpwlyp1w Eigenvalue up | -9.589820000000000e-01 | -9.856140000000000e-01 | 4.400000000000000e-05 | 2.663199999999999e-02 | FAIL |
| gga_xc_mpwlyp1w Eigenvalue dn | -5.576210000000000e-01 | -8.612810000000000e-01 | 4.180000000000000e-05 | 3.036599999999999e-01 | FAIL |
| gga_xc_mpwlyp1w Correlation | 0.000000000000000e+00 | -3.344284050000000e-01 | 4.100000000000000e-06 | 3.344284050000000e-01 | FAIL |
| gga_xc_mpwlyp1w Int[n*v_xc] | 0.000000000000000e+00 | -4.268828900000000e-01 | 5.210000000000000e-06 | 4.268828900000000e-01 | FAIL |