Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185360419030950e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.405232485929275e-09 | PASS |
| Projections [step 100] | 9.402375129917645e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949363163606943e-04 | PASS |
| Projections [step 100] | -3.405135159335624e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297837136066241e-04 | PASS |
| Total current [step 100] | -1.213690944204955e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946895452006e-02 | PASS |