Input 14-silicon_shifts.03-td_parstates.inp
Commits >
Commit e09e54217c6ccfa05cd54e62fc481dbeeea35df8 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Projections [step 100] | 9.402375138560243e-01 | 9.400425766754038e-01 | 3.140000000000000e-04 | 1.949371806204692e-04 | PASS |
| Projections [step 100] | -3.405135135784577e-01 | -3.410432996471690e-01 | 5.830000000000000e-04 | 5.297860687113465e-04 | PASS |
| Total current [step 100] | -1.213690442089420e-02 | 1.226255951247051e-02 | 2.680000000000000e-02 | -2.439946393336471e-02 | PASS |
| Number of excited electrons [step 100] | 2.021240823349424e-05 | 2.020866884308581e-05 | 4.460000000000000e-09 | 3.739390408427022e-09 | PASS |