Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.351387940465789e+01 -1.351387940465781e+01 5.000000000000000e-13 -7.993605777301127e-14 PASS
Energy [step 52] -1.351350086579660e+01 -1.351350086579652e+01 5.000000000000000e-13 -7.460698725481052e-14 PASS
Multipoles [step 0] 2.228387047547133e-16 0.000000000000000e+00 1.000000000000000e-15 2.228387047547133e-16 PASS
Multipoles [step 52] -3.793333093330221e-03 -3.793333093268998e-03 1.000000000000000e-13 -6.122316195678046e-14 PASS
Compare to other inputs