Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375139370298e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949372616260048e-04 | PASS |
| Projections [step 100] | -3.405135133550438e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297862921252450e-04 | PASS |
| Total current [step 100] | -1.213690490255623e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946441502674e-02 | PASS |
| Number of excited electrons [step 100] | 2.021240730212814e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.738459042331664e-09 | PASS |