Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -9.017747486239625e-16 -2.341800490096620e-15 5.950000000000000e-15 1.440025741472657e-15 PASS
Multipoles [step 20] -1.265541277298127e-01 -1.265541277298150e-01 6.330000000000000e-15 2.275957200481571e-15 PASS
Forces [step 1] 8.537492460197926e-02 8.537492460197621e-02 9.710000000000000e-15 3.053113317719180e-15 PASS
Forces [step 20] 7.966771527219496e-02 7.966771527219201e-02 6.850000000000000e-15 2.955968803064479e-15 PASS
Compare to other inputs