Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -6.212336919300849e-15 -2.341800490096620e-15 5.950000000000000e-15 -3.870536429204229e-15 PASS
Multipoles [step 20] -1.265541277298147e-01 -1.265541277298150e-01 6.330000000000000e-15 3.053113317719180e-16 PASS
Forces [step 1] 8.537492460197926e-02 8.537492460197621e-02 9.710000000000000e-15 3.053113317719180e-15 PASS
Forces [step 20] 7.966771527219407e-02 7.966771527219201e-02 6.850000000000000e-15 2.067790383364354e-15 PASS
Compare to other inputs