Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465789e+01 -1.351387940465781e+01 5.000000000000000e-13 -8.171241461241152e-14 PASS
Energy [step 52] -1.351350086579665e+01 -1.351350086579652e+01 5.000000000000000e-13 -1.296740492762183e-13 PASS
Multipoles [step 0] 2.005813787188818e-16 0.000000000000000e+00 1.000000000000000e-15 2.005813787188818e-16 PASS
Multipoles [step 52] -3.793333093345585e-03 -3.793333093268998e-03 1.000000000000000e-13 -7.658674042176905e-14 PASS
Compare to other inputs