Input 14-silicon_shifts.03-td_parstates.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Projections [step 100] | 9.402375130479174e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949363725135544e-04 | PASS |
Projections [step 100] | -3.405135186571671e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297809900018935e-04 | PASS |
Total current [step 100] | -1.213964995465278e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440220946712329e-02 | PASS |
Number of excited electrons [step 100] | 2.020456640233759e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | -4.102440748224913e-09 | PASS |