Input 03-xc.gga_x_rpbe.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_rpbe Eigenvalue up | -9.568960000000000e-01 | -9.729315000000001e-01 | 4.350000000000000e-05 | 1.603550000000009e-02 | FAIL |
| gga_x_rpbe Eigenvalue dn | -4.864720000000000e-01 | -8.239600000000000e-01 | 4.180000000000000e-05 | 3.374880000000000e-01 | FAIL |
| gga_x_rpbe Exchange | 0.000000000000000e+00 | -3.245010100000000e-01 | 4.120000000000000e-06 | 3.245010100000000e-01 | FAIL |
| gga_x_rpbe Int[n*v_xc] | 0.000000000000000e+00 | -4.092723600000000e-01 | 4.960000000000000e-06 | 4.092723600000000e-01 | FAIL |