Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185397343111410e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.774473290527823e-09 | PASS |
| Projections [step 100] | 9.402375133598059e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949366844020695e-04 | PASS |
| Projections [step 100] | -3.405135149090054e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297847381635634e-04 | PASS |
| Total current [step 100] | -1.213690463934338e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946415181389e-02 | PASS |