Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405801e+01 -1.351350309405791e+01 3.000000000000000e-13 -1.012523398458143e-13 PASS
Energy [step 103] -1.351351009473390e+01 -1.351351009473370e+01 4.500000000000000e-13 -1.989519660128281e-13 PASS
Multipoles [step 83] 6.218975444126398e-04 6.218975443429170e-04 3.000000000000000e-13 6.972276488798057e-14 PASS
Multipoles [step 103] 3.990050594295243e-03 3.990050594276555e-03 3.000000000000000e-13 1.868817600669814e-14 PASS
Compare to other inputs