Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465790e+01 -1.351387940465781e+01 5.000000000000000e-13 -9.414691248821327e-14 PASS
Energy [step 52] -1.351350086579661e+01 -1.351350086579652e+01 5.000000000000000e-13 -9.059419880941277e-14 PASS
Multipoles [step 0] 1.885293470195643e-16 0.000000000000000e+00 1.000000000000000e-15 1.885293470195643e-16 PASS
Multipoles [step 52] -3.793333093339046e-03 -3.793333093268998e-03 1.000000000000000e-13 -7.004813395994347e-14 PASS
Compare to other inputs