Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185358785987249e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.388902048926610e-09 | PASS |
| Projections [step 100] | 9.402375120874519e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949354120480695e-04 | PASS |
| Projections [step 100] | -3.405135212571221e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297783900469200e-04 | PASS |
| Total current [step 100] | -1.213965260648171e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440221211895222e-02 | PASS |