Input 14-silicon_shifts.03-td_parstates.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Number of excited electrons [step 100] | 6.185382143303331e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.622475209739349e-09 | PASS |
Projections [step 100] | 9.402375128802374e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949362048335734e-04 | PASS |
Projections [step 100] | -3.405135190768157e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297805703532998e-04 | PASS |
Total current [step 100] | -1.213965472708990e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440221423956041e-02 | PASS |