Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185357176607953e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.372808255961644e-09 | PASS |
| Projections [step 100] | 9.402375120861388e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949354107350088e-04 | PASS |
| Projections [step 100] | -3.405135212651580e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297783820110147e-04 | PASS |
| Total current [step 100] | -1.213965402075589e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.440221353322640e-02 | PASS |