Input 14-silicon_shifts.03-td_parstates.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Number of excited electrons [step 100] 6.185495630101068e-05 6.185219895782357e-05 3.230000000000000e-09 2.757343187109740e-09 PASS
Projections [step 100] 9.402375135365054e-01 9.400425766754038e-01 3.140000000000000e-04 1.949368611016133e-04 PASS
Projections [step 100] -3.405135140248791e-01 -3.410432996471690e-01 5.830000000000000e-04 5.297856222898911e-04 PASS
Total current [step 100] -1.213683279650500e-02 1.226255951247051e-02 2.680000000000000e-02 -2.439939230897551e-02 PASS
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