Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465765e+01 -1.351387940465781e+01 5.000000000000000e-13 1.634248292248230e-13 PASS
Energy [step 52] -1.351350086579646e+01 -1.351350086579652e+01 5.000000000000000e-13 6.217248937900877e-14 PASS
Multipoles [step 0] -2.180193300895753e-16 0.000000000000000e+00 1.000000000000000e-15 -2.180193300895753e-16 PASS
Multipoles [step 52] -3.793333093231093e-03 -3.793333093268998e-03 1.000000000000000e-13 3.790457531183122e-14 PASS
Compare to other inputs