Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465774e+01 -1.351387940465781e+01 5.000000000000000e-13 6.572520305780927e-14 PASS
Energy [step 52] -1.351350086579624e+01 -1.351350086579652e+01 5.000000000000000e-13 2.824407374646398e-13 PASS
Multipoles [step 0] -1.492858676034408e-16 0.000000000000000e+00 1.000000000000000e-15 -1.492858676034408e-16 PASS
Multipoles [step 52] -3.793333093314596e-03 -3.793333093268998e-03 1.000000000000000e-13 -4.559850760865736e-14 PASS
Compare to other inputs