Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -6.498122352704971e-15 -2.341800490096620e-15 5.950000000000000e-15 -4.156321862608351e-15 PASS
Multipoles [step 20] -1.265541277298181e-01 -1.265541277298150e-01 6.330000000000000e-15 -3.053113317719180e-15 PASS
Forces [step 1] 8.537492460197837e-02 8.537492460197621e-02 9.710000000000000e-15 2.164934898019055e-15 PASS
Forces [step 20] 7.966771527219096e-02 7.966771527219201e-02 6.850000000000000e-15 -1.040834085586084e-15 PASS
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