Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375139798699e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949373044660696e-04 | PASS |
| Projections [step 100] | -3.405135132335811e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297864135879182e-04 | PASS |
| Total current [step 100] | -1.213690226600940e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946177847991e-02 | PASS |
| Number of excited electrons [step 100] | 2.021241068789204e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.741844806223136e-09 | PASS |