Input 14-silicon_shifts.03-td_parstates.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Number of excited electrons [step 100] | 6.185373174211195e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.532784288382771e-09 | PASS |
Projections [step 100] | 9.402375133074865e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949366320826984e-04 | PASS |
Projections [step 100] | -3.405135179404735e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297817066955424e-04 | PASS |
Total current [step 100] | -1.213965311846845e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440221263093896e-02 | PASS |