Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375135726218e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949368972179455e-04 | PASS |
| Projections [step 100] | -3.405135143672579e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297852799110991e-04 | PASS |
| Total current [step 100] | -1.213689345917556e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439945297164606e-02 | PASS |
| Number of excited electrons [step 100] | 2.021233346316542e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.664620079609713e-09 | PASS |