Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465791e+01 -1.351387940465781e+01 5.000000000000000e-13 -9.947598300641403e-14 PASS
Energy [step 52] -1.351350086579652e+01 -1.351350086579652e+01 5.000000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 0] -2.254574855016609e-16 0.000000000000000e+00 1.000000000000000e-15 -2.254574855016609e-16 PASS
Multipoles [step 52] -3.793333093299625e-03 -3.793333093268998e-03 1.000000000000000e-13 -3.062697664923952e-14 PASS
Compare to other inputs