Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465756e+01 -1.351387940465781e+01 5.000000000000000e-13 2.522426711948356e-13 PASS
Energy [step 52] -1.351350086579639e+01 -1.351350086579652e+01 5.000000000000000e-13 1.314504061156185e-13 PASS
Multipoles [step 0] 4.939338489044747e-17 0.000000000000000e+00 1.000000000000000e-15 4.939338489044747e-17 PASS
Multipoles [step 52] -3.793333093269580e-03 -3.793333093268998e-03 1.000000000000000e-13 -5.824334070592130e-16 PASS
Compare to other inputs