Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_valgrind_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523194e+01 -1.351259613523188e+01 2.520000000000000e-13 -5.506706202140776e-14 PASS
Energy [step 52] -1.351221767670757e+01 -1.351221767670754e+01 4.630000000000000e-13 -3.197442310920451e-14 PASS
Multipoles [step 0] -3.144055791674143e-16 0.000000000000000e+00 1.000000000000000e-15 -3.144055791674143e-16 PASS
Multipoles [step 52] -3.817238054765905e-03 -3.817238054773396e-03 6.510000000000000e-14 7.490535969267853e-15 PASS
Compare to other inputs