Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-parallel-debug: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185357776050671e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.378802683138503e-09 | PASS |
| Projections [step 100] | 9.402375125457915e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949358703876580e-04 | PASS |
| Projections [step 100] | -3.405135199671878e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297796799812460e-04 | PASS |
| Total current [step 100] | -1.213965738024407e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440221689271458e-02 | PASS |