Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375126727736e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949359973697495e-04 | PASS |
| Projections [step 100] | -3.405135168566481e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297827905209052e-04 | PASS |
| Total current [step 100] | -1.213690498302944e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946449549996e-02 | PASS |
| Number of excited electrons [step 100] | 2.021239286176257e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.724018676761696e-09 | PASS |