Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185347122278362e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.272264960050506e-09 | PASS |
| Projections [step 100] | 9.402375132913037e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949366158998656e-04 | PASS |
| Projections [step 100] | -3.405135149930287e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297846541402751e-04 | PASS |
| Total current [step 100] | -1.213682033752409e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439937984999460e-02 | PASS |