Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 > Run foss_cmake: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523191e+01 -1.351259613523188e+01 2.520000000000000e-13 -2.486899575160351e-14 PASS
Energy [step 52] -1.351221767670757e+01 -1.351221767670754e+01 4.630000000000000e-13 -3.197442310920451e-14 PASS
Multipoles [step 0] -2.423456974469384e-16 0.000000000000000e+00 1.000000000000000e-15 -2.423456974469384e-16 PASS
Multipoles [step 52] -3.817238054714240e-03 -3.817238054773396e-03 6.510000000000000e-14 5.915580525428510e-14 PASS
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