Input 03-td_self_consistent.02-etrs.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a_omp

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -5.835476633159198e-15 -2.341800490096620e-15 5.950000000000000e-15 -3.493676143062578e-15 PASS
Multipoles [step 20] -1.265541277298152e-01 -1.265541277298150e-01 6.330000000000000e-15 -1.665334536937735e-16 PASS
Forces [step 1] 8.537492460197882e-02 8.537492460197621e-02 6.290000000000000e-15 2.609024107869118e-15 PASS
Forces [step 20] 7.966771527219008e-02 7.966771527219201e-02 3.980000000000000e-15 -1.929012505286209e-15 PASS
Compare to other inputs