Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523188e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 52] | -1.351221767670762e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -7.638334409421077e-14 | PASS |
| Multipoles [step 0] | -1.007044723284876e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.007044723284876e-16 | PASS |
| Multipoles [step 52] | -3.817238054768450e-03 | -3.817238054777976e-03 | 6.990000000000000e-14 | 9.525800287457642e-15 | PASS |