Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185357932253499e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.380364711422999e-09 | PASS |
| Projections [step 100] | 9.402375127361060e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949360607021999e-04 | PASS |
| Projections [step 100] | -3.405135165057016e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297831414673992e-04 | PASS |
| Total current [step 100] | -1.213679888017701e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439935839264752e-02 | PASS |