Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185352471821393e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.325760390358255e-09 | PASS |
| Projections [step 100] | 9.402375125428316e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949358674278034e-04 | PASS |
| Projections [step 100] | -3.405135199716303e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297796755386885e-04 | PASS |
| Total current [step 100] | -1.213965819723653e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440221770970704e-02 | PASS |