Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 701869cc1eb5c6c77a64efba9e1ed1058e4204f9 >
Run intel-parallel-debug: [intel2023a-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] | -1.351221767670770e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -1.598721155460225e-13 | PASS |
| Multipoles [step 0] | -8.890039395319001e-17 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.890039395319001e-17 | PASS |
| Multipoles [step 52] | -3.817238054833284e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -5.988785856114731e-14 | PASS |