Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523191e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -3.375077994860476e-14 | PASS |
| Energy [step 52] | -1.351221767670752e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | 1.953992523340276e-14 | PASS |
| Multipoles [step 0] | -1.030428202212835e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.030428202212835e-16 | PASS |
| Multipoles [step 52] | -3.817238054791036e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | -1.305943200802240e-14 | PASS |