Input 14-silicon_shifts.03-td_parstates.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Projections [step 100] 9.402375127239045e-01 9.400425766754038e-01 3.140000000000000e-04 1.949360485007379e-04 PASS
Projections [step 100] -3.405135167019619e-01 -3.410432996471690e-01 5.830000000000000e-04 5.297829452071134e-04 PASS
Total current [step 100] -1.213690454203738e-02 1.226255951247051e-02 2.680000000000000e-02 -2.439946405450789e-02 PASS
Number of excited electrons [step 100] 2.021240748259490e-05 2.020866884308581e-05 4.460000000000000e-09 3.738639509084316e-09 PASS
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