Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375139061977e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949372307938901e-04 | PASS |
| Projections [step 100] | -3.405135134393428e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297862078262328e-04 | PASS |
| Total current [step 100] | -1.213690879964730e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946831211781e-02 | PASS |
| Number of excited electrons [step 100] | 2.021240129895796e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.732455872148486e-09 | PASS |