Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375127239045e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949360485007379e-04 | PASS |
| Projections [step 100] | -3.405135167019619e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297829452071134e-04 | PASS |
| Total current [step 100] | -1.213690454203738e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946405450789e-02 | PASS |
| Number of excited electrons [step 100] | 2.021240748259490e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.738639509084316e-09 | PASS |