Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375139647886e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949372893848000e-04 | PASS |
| Projections [step 100] | -3.405135132854623e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297863617066967e-04 | PASS |
| Total current [step 100] | -1.213690380231501e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946331478552e-02 | PASS |
| Number of excited electrons [step 100] | 2.021240478936037e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.735946274560029e-09 | PASS |