Input 03-td_self_consistent.02-etrs.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -6.206484423078827e-15 -2.341800490096620e-15 5.950000000000000e-15 -3.864683932982207e-15 PASS
Multipoles [step 20] -1.265541277298189e-01 -1.265541277298150e-01 6.330000000000000e-15 -3.941291737419306e-15 PASS
Forces [step 1] 8.537492460197260e-02 8.537492460197621e-02 9.710000000000000e-15 -3.608224830031759e-15 PASS
Forces [step 20] 7.966771527219185e-02 7.966771527219201e-02 6.850000000000000e-15 -1.526556658859590e-16 PASS
Compare to other inputs