Input 14-silicon_shifts.03-td_parstates.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375139354084e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949372600046351e-04 | PASS |
| Projections [step 100] | -3.405135133653320e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297862818370302e-04 | PASS |
| Total current [step 100] | -1.213690204840453e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946156087504e-02 | PASS |
| Number of excited electrons [step 100] | 2.021240490354681e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.736060460998112e-09 | PASS |