Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -2.653551023931808e-15 -2.341800490096620e-15 5.950000000000000e-15 -3.117505338351884e-16 PASS
Multipoles [step 20] -1.265541277298159e-01 -1.265541277298150e-01 6.330000000000000e-15 -8.881784197001252e-16 PASS
Forces [step 1] 8.537492460197438e-02 8.537492460197621e-02 9.710000000000000e-15 -1.831867990631508e-15 PASS
Forces [step 20] 7.966771527219141e-02 7.966771527219201e-02 6.850000000000000e-15 -5.967448757360216e-16 PASS
Compare to other inputs