Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523198e+01 -1.351259613523188e+01 2.520000000000000e-13 -1.030286966852145e-13 PASS
Energy [step 52] -1.351221767670773e+01 -1.351221767670754e+01 4.630000000000000e-13 -1.865174681370263e-13 PASS
Multipoles [step 0] -4.149252092652128e-16 0.000000000000000e+00 1.000000000000000e-15 -4.149252092652128e-16 PASS
Multipoles [step 52] -3.817238054721474e-03 -3.817238054773396e-03 6.510000000000000e-14 5.192200835946181e-14 PASS
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