Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -8.552650775095483e-16 -2.341800490096620e-15 5.950000000000000e-15 1.486535412587072e-15 PASS
Multipoles [step 20] -1.265541277298150e-01 -1.265541277298150e-01 6.330000000000000e-15 0.000000000000000e+00 PASS
Forces [step 1] 8.537492460197704e-02 8.537492460197621e-02 9.710000000000000e-15 8.326672684688674e-16 PASS
Forces [step 20] 7.966771527219096e-02 7.966771527219201e-02 6.850000000000000e-15 -1.040834085586084e-15 PASS
Compare to other inputs