Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] 3.859297525109738e-16 -2.341800490096620e-15 5.950000000000000e-15 2.727730242607594e-15 PASS
Multipoles [step 20] -1.265541277298124e-01 -1.265541277298150e-01 6.330000000000000e-15 2.553512956637860e-15 PASS
Forces [step 1] 8.537492460198504e-02 8.537492460197621e-02 9.710000000000000e-15 8.826273045769994e-15 PASS
Forces [step 20] 7.966771527219496e-02 7.966771527219201e-02 6.850000000000000e-15 2.955968803064479e-15 PASS
Compare to other inputs