Input 14-silicon_shifts.03-td_parstates.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
Number of excited electrons [step 100] | 6.185372042771808e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.521469894516514e-09 | PASS |
Projections [step 100] | 9.402375140534788e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949373780749664e-04 | PASS |
Projections [step 100] | -3.405135130359989e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297866111701466e-04 | PASS |
Total current [step 100] | -1.213690564283119e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946515530170e-02 | PASS |