Input 14-silicon_shifts.03-td_parstates.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Number of excited electrons [step 100] | 6.185346703579953e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.268077975957738e-09 | PASS |
Projections [step 100] | 9.402375131965531e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949365211493248e-04 | PASS |
Projections [step 100] | -3.405135153803505e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297842668185448e-04 | PASS |
Total current [step 100] | -1.213690977663302e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946928910353e-02 | PASS |