Input 03-td_self_consistent.02-etrs.inp

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Run spack_foss-2023a_serial

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -9.738599087306260e-16 -2.341800490096620e-15 5.950000000000000e-15 1.367940581365994e-15 PASS
Multipoles [step 20] -1.265541277298151e-01 -1.265541277298150e-01 6.330000000000000e-15 -5.551115123125783e-17 PASS
Forces [step 1] 8.537492460197482e-02 8.537492460197621e-02 9.710000000000000e-15 -1.387778780781446e-15 PASS
Forces [step 20] 7.966771527219185e-02 7.966771527219201e-02 6.850000000000000e-15 -1.526556658859590e-16 PASS
Compare to other inputs