Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405791e+01 -1.351350309405791e+01 3.000000000000000e-13 3.552713678800501e-15 PASS
Energy [step 103] -1.351351009473369e+01 -1.351351009473370e+01 4.500000000000000e-13 8.881784197001252e-15 PASS
Multipoles [step 83] 6.218975441260276e-04 6.218975443429170e-04 3.000000000000000e-13 -2.168894404352972e-13 PASS
Multipoles [step 103] 3.990050594134708e-03 3.990050594276555e-03 3.000000000000000e-13 -1.418474712688855e-13 PASS
Compare to other inputs