Input 14-silicon_shifts.03-td_parstates.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Number of excited electrons [step 100] 6.185348459514239e-05 6.185219895782357e-05 3.230000000000000e-09 1.285637318826360e-09 PASS
Projections [step 100] 9.402375131924602e-01 9.400425766754038e-01 3.140000000000000e-04 1.949365170563766e-04 PASS
Projections [step 100] -3.405135153934709e-01 -3.410432996471690e-01 5.830000000000000e-04 5.297842536980957e-04 PASS
Total current [step 100] -1.213691055914499e-02 1.226255951247051e-02 2.680000000000000e-02 -2.439947007161550e-02 PASS
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