Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465786e+01 -1.351387940465781e+01 5.000000000000000e-13 -4.973799150320701e-14 PASS
Energy [step 52] -1.351350086579650e+01 -1.351350086579652e+01 5.000000000000000e-13 2.309263891220326e-14 PASS
Multipoles [step 0] -1.009122671384776e-16 0.000000000000000e+00 1.000000000000000e-15 -1.009122671384776e-16 PASS
Multipoles [step 52] -3.793333093314067e-03 -3.793333093268998e-03 1.000000000000000e-13 -4.506898326761544e-14 PASS
Compare to other inputs