Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375118211931e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949351457892767e-04 | PASS |
| Projections [step 100] | -3.405135220273378e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297776198312509e-04 | PASS |
| Total current [step 100] | -1.213965147210592e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440221098457643e-02 | PASS |
| Number of excited electrons [step 100] | 2.020457398721476e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | -4.094855871054128e-09 | PASS |