Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465795e+01 -1.351387940465781e+01 5.000000000000000e-13 -1.421085471520200e-13 PASS
Energy [step 52] -1.351350086579671e+01 -1.351350086579652e+01 5.000000000000000e-13 -1.847411112976260e-13 PASS
Multipoles [step 0] -3.466614923751594e-16 0.000000000000000e+00 1.000000000000000e-15 -3.466614923751594e-16 PASS
Multipoles [step 52] -3.793333093257105e-03 -3.793333093268998e-03 1.000000000000000e-13 1.189326415129699e-14 PASS
Compare to other inputs