Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523193e+01 -1.351259613523188e+01 2.520000000000000e-13 -4.796163466380676e-14 PASS
Energy [step 52] -1.351221767670759e+01 -1.351221767670754e+01 4.630000000000000e-13 -4.973799150320701e-14 PASS
Multipoles [step 0] -2.793229233002888e-16 0.000000000000000e+00 1.000000000000000e-15 -2.793229233002888e-16 PASS
Multipoles [step 52] -3.817238054776754e-03 -3.817238054773396e-03 6.510000000000000e-14 -3.357557287753110e-15 PASS
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