Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 > Run foss_ppc_autotools: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351259613523183e+01 -1.351259613523188e+01 2.520000000000000e-13 5.329070518200751e-14 PASS
Energy [step 52] -1.351221767670761e+01 -1.351221767670754e+01 4.630000000000000e-13 -6.927791673660977e-14 PASS
Multipoles [step 0] -2.210907387677732e-16 0.000000000000000e+00 1.000000000000000e-15 -2.210907387677732e-16 PASS
Multipoles [step 52] -3.817238054734939e-03 -3.817238054773396e-03 6.510000000000000e-14 3.845665105806084e-14 PASS
Compare to other inputs