Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d > Run cmake_foss_2022a_full_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465768e+01 -1.351387940465781e+01 5.000000000000000e-13 1.261213355974178e-13 PASS
Energy [step 52] -1.351350086579639e+01 -1.351350086579652e+01 5.000000000000000e-13 1.332267629550188e-13 PASS
Multipoles [step 0] -2.954735657792929e-16 0.000000000000000e+00 1.000000000000000e-15 -2.954735657792929e-16 PASS
Multipoles [step 52] -3.793333093258758e-03 -3.793333093268998e-03 1.000000000000000e-13 1.023963899782210e-14 PASS
Compare to other inputs