Input 14-silicon_shifts.03-td_parstates.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375130149955e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949363395916670e-04 | PASS |
| Projections [step 100] | -3.405135187301565e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297809170125567e-04 | PASS |
| Total current [step 100] | -1.213964818522796e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440220769769847e-02 | PASS |
| Number of excited electrons [step 100] | 2.020458206947184e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | -4.086773613968311e-09 | PASS |