Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523192e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -3.907985046680551e-14 | PASS |
| Energy [step 52] | -1.351221767670759e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -4.440892098500626e-14 | PASS |
| Multipoles [step 0] | 1.520397959835196e-17 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.520397959835196e-17 | PASS |
| Multipoles [step 52] | -3.817238054772237e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | 5.739332620269266e-15 | PASS |