Input 03-xc.gga_x_pbe.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbe Eigenvalue up | -9.540950000000000e-01 | -9.680415000000000e-01 | 4.340000000000000e-05 | 1.394649999999997e-02 | FAIL |
| gga_x_pbe Eigenvalue dn | -4.864720000000000e-01 | -8.161070000000000e-01 | 4.180000000000000e-05 | 3.296350000000000e-01 | FAIL |
| gga_x_pbe Exchange | 0.000000000000000e+00 | -3.167971900000000e-01 | 3.950000000000000e-06 | 3.167971900000000e-01 | FAIL |
| gga_x_pbe Int[n*v_xc] | 0.000000000000000e+00 | -4.037898600000000e-01 | 4.860000000000000e-06 | 4.037898600000000e-01 | FAIL |