Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Number of excited electrons [step 100] | 6.185355701837647e-05 | 6.185219895782357e-05 | 3.230000000000000e-09 | 1.358060552902884e-09 | PASS |
| Projections [step 100] | 9.402375128237518e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949361483479795e-04 | PASS |
| Projections [step 100] | -3.405135162616815e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297833854874812e-04 | PASS |
| Total current [step 100] | -1.213680140941211e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439936092188262e-02 | PASS |