Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

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

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523186e+01 -1.351259613523188e+01 2.520000000000000e-13 2.486899575160351e-14 PASS
Energy [step 52] -1.351221767670755e+01 -1.351221767670754e+01 4.630000000000000e-13 -1.065814103640150e-14 PASS
Multipoles [step 0] -2.405343344130980e-16 0.000000000000000e+00 1.000000000000000e-15 -2.405343344130980e-16 PASS
Multipoles [step 52] -3.817238054789367e-03 -3.817238054773396e-03 6.510000000000000e-14 -1.597073168158047e-14 PASS
Compare to other inputs