Input 03-td_self_consistent.02-etrs.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_opt_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Multipoles [step 1] 8.522949192105514e-16 -2.341800490096620e-15 5.950000000000000e-15 3.194095409307171e-15 PASS
Multipoles [step 20] -1.265537116546928e-01 -1.265537116546943e-01 4.140000000000000e-15 1.498801083243961e-15 PASS
Forces [step 1] 8.537674454622524e-02 8.537674454622635e-02 9.040000000000000e-15 -1.110223024625157e-15 PASS
Forces [step 20] 7.966913104353601e-02 7.966913104353623e-02 9.530000000000000e-15 -2.220446049250313e-16 PASS
Compare to other inputs