Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465776e+01 -1.351387940465781e+01 5.000000000000000e-13 4.618527782440651e-14 PASS
Energy [step 52] -1.351350086579645e+01 -1.351350086579652e+01 5.000000000000000e-13 7.460698725481052e-14 PASS
Multipoles [step 0] 1.723279700096515e-16 0.000000000000000e+00 1.000000000000000e-15 1.723279700096515e-16 PASS
Multipoles [step 52] -3.793333093335602e-03 -3.793333093268998e-03 1.000000000000000e-13 -6.660384049839152e-14 PASS
Compare to other inputs