Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523194e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -5.684341886080801e-14 | PASS |
| Energy [step 52] | -1.351221767670749e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | 5.506706202140776e-14 | PASS |
| Multipoles [step 0] | -2.811161322902755e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.811161322902755e-16 | PASS |
| Multipoles [step 52] | -3.817238054832552e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -5.915623893515409e-14 | PASS |