Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185360632471326e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.407366889694117e-09 | PASS |
| Projections [step 100] | 9.402375129156320e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949362402281496e-04 | PASS |
| Projections [step 100] | -3.405135161651743e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297834819947278e-04 | PASS |
| Total current [step 100] | -1.213690865342386e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946816589437e-02 | PASS |