Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465790e+01 -1.351387940465781e+01 5.000000000000000e-13 -8.526512829121202e-14 PASS
Energy [step 52] -1.351350086579658e+01 -1.351350086579652e+01 5.000000000000000e-13 -5.684341886080801e-14 PASS
Multipoles [step 0] 1.871523828295249e-16 0.000000000000000e+00 1.000000000000000e-15 1.871523828295249e-16 PASS
Multipoles [step 52] -3.793333093340700e-03 -3.793333093268998e-03 1.000000000000000e-13 -7.170219279428736e-14 PASS
Compare to other inputs