Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465782e+01 -1.351387940465781e+01 5.000000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 52] -1.351350086579647e+01 -1.351350086579652e+01 5.000000000000000e-13 4.973799150320701e-14 PASS
Multipoles [step 0] 1.948017187293973e-16 0.000000000000000e+00 1.000000000000000e-15 1.948017187293973e-16 PASS
Multipoles [step 52] -3.793333093331748e-03 -3.793333093268998e-03 1.000000000000000e-13 -6.274971861564005e-14 PASS
Compare to other inputs