Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_omp_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523190e+01 -1.351259613523188e+01 2.520000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 52] -1.351221767670750e+01 -1.351221767670754e+01 4.630000000000000e-13 4.085620730620576e-14 PASS
Multipoles [step 0] -4.736756813735615e-16 0.000000000000000e+00 1.000000000000000e-15 -4.736756813735615e-16 PASS
Multipoles [step 52] -3.817238054787853e-03 -3.817238054773396e-03 6.510000000000000e-14 -1.445718544879071e-14 PASS
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