Input 14-silicon_shifts.03-td_parstates.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Number of excited electrons [step 100] 6.185400605002167e-05 6.185219895782357e-05 3.230000000000000e-09 1.807092198102822e-09 PASS
Projections [step 100] 9.402375134316467e-01 9.400425766754038e-01 3.140000000000000e-04 1.949367562429360e-04 PASS
Projections [step 100] -3.405135147446940e-01 -3.410432996471690e-01 5.830000000000000e-04 5.297849024749612e-04 PASS
Total current [step 100] -1.213690575559529e-02 1.226255951247051e-02 2.680000000000000e-02 -2.439946526806580e-02 PASS
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