Input 14-silicon_shifts.03-td_parstates.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Projections [step 100] | 9.402375130640815e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949363886777356e-04 | PASS |
Projections [step 100] | -3.405135186021821e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297810449869100e-04 | PASS |
Total current [step 100] | -1.213965020635999e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440220971883050e-02 | PASS |
Number of excited electrons [step 100] | 2.020457543333576e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | -4.093409750053403e-09 | PASS |