Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523187e+01 -1.351259613523188e+01 2.520000000000000e-13 8.881784197001252e-15 PASS
Energy [step 52] -1.351221767670757e+01 -1.351221767670754e+01 4.630000000000000e-13 -2.842170943040401e-14 PASS
Multipoles [step 0] -2.864659250361183e-16 0.000000000000000e+00 1.000000000000000e-15 -2.864659250361183e-16 PASS
Multipoles [step 52] -3.817238054800168e-03 -3.817238054773396e-03 6.510000000000000e-14 -2.677155372388107e-14 PASS
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