Input 03-td_self_consistent.02-etrs.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -4.461007247196641e-15 -2.341800490096620e-15 5.950000000000000e-15 -2.119206757100021e-15 PASS
Multipoles [step 20] -1.265541277298162e-01 -1.265541277298150e-01 6.330000000000000e-15 -1.165734175856414e-15 PASS
Forces [step 1] 8.537492460197393e-02 8.537492460197621e-02 9.710000000000000e-15 -2.275957200481571e-15 PASS
Forces [step 20] 7.966771527219185e-02 7.966771527219201e-02 6.850000000000000e-15 -1.526556658859590e-16 PASS
Compare to other inputs