Input 03-xc.gga_x_b86.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_b86 Eigenvalue up | -9.567500000000000e-01 | -9.720825000000000e-01 | 4.350000000000000e-05 | 1.533249999999997e-02 | FAIL |
| gga_x_b86 Eigenvalue dn | -4.864720000000000e-01 | -8.211550000000000e-01 | 4.180000000000000e-05 | 3.346830000000000e-01 | FAIL |
| gga_x_b86 Exchange | 0.000000000000000e+00 | -3.220159700000000e-01 | 4.060000000000000e-06 | 3.220159700000000e-01 | FAIL |
| gga_x_b86 Int[n*v_xc] | 0.000000000000000e+00 | -4.080322900000000e-01 | 4.950000000000000e-06 | 4.080322900000000e-01 | FAIL |