Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] 1.714130607474804e-15 -2.341800490096620e-15 5.950000000000000e-15 4.055931097571424e-15 PASS
Multipoles [step 20] -1.265541277298139e-01 -1.265541277298150e-01 6.330000000000000e-15 1.110223024625157e-15 PASS
Forces [step 1] 8.537492460197527e-02 8.537492460197621e-02 9.710000000000000e-15 -9.436895709313831e-16 PASS
Forces [step 20] 7.966771527219008e-02 7.966771527219201e-02 6.850000000000000e-15 -1.929012505286209e-15 PASS
Compare to other inputs