Input 14-silicon_shifts.03-td_parstates.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run foss_cmake: [foss2023a-mpi, foss-full-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
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