Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523190e+01 -1.351259613523188e+01 2.520000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 52] -1.351221767670751e+01 -1.351221767670754e+01 4.630000000000000e-13 2.842170943040401e-14 PASS
Multipoles [step 0] -1.263051464989072e-17 0.000000000000000e+00 1.000000000000000e-15 -1.263051464989072e-17 PASS
Multipoles [step 52] -3.817238054824266e-03 -3.817238054773396e-03 6.510000000000000e-14 -5.087033225215087e-14 PASS
Compare to other inputs