Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f > Run intel_omp_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523194e+01 -1.351259613523188e+01 2.520000000000000e-13 -5.684341886080801e-14 PASS
Energy [step 52] -1.351221767670749e+01 -1.351221767670754e+01 4.630000000000000e-13 5.506706202140776e-14 PASS
Multipoles [step 0] -2.811161322902755e-16 0.000000000000000e+00 1.000000000000000e-15 -2.811161322902755e-16 PASS
Multipoles [step 52] -3.817238054832552e-03 -3.817238054773396e-03 6.510000000000000e-14 -5.915623893515409e-14 PASS
Compare to other inputs