Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405769e+01 -1.351350309405791e+01 3.000000000000000e-13 2.167155344068306e-13 PASS
Energy [step 103] -1.351351009473357e+01 -1.351351009473370e+01 4.500000000000000e-13 1.332267629550188e-13 PASS
Multipoles [step 83] 6.218975443803523e-04 6.218975443429170e-04 3.000000000000000e-13 3.743522419136225e-14 PASS
Multipoles [step 103] 3.990050594254869e-03 3.990050594276555e-03 3.000000000000000e-13 -2.168577817318607e-14 PASS
Compare to other inputs