Input 03-td_self_consistent.02-etrs.inp

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] -4.033894312333031e-15 -2.341800490096620e-15 5.950000000000000e-15 -1.692093822236411e-15 PASS
Multipoles [step 20] -1.265541277298159e-01 -1.265541277298150e-01 6.330000000000000e-15 -8.604228440844963e-16 PASS
Forces [step 1] 8.537492460197615e-02 8.537492460197621e-02 9.710000000000000e-15 -5.551115123125783e-17 PASS
Forces [step 20] 7.966771527219096e-02 7.966771527219201e-02 6.850000000000000e-15 -1.040834085586084e-15 PASS
Compare to other inputs