Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351259613523212e+01 |
-1.351259613523188e+01 |
2.520000000000000e-13 |
-2.362554596402333e-13 |
PASS |
| Energy [step 52] |
-1.351221767670797e+01 |
-1.351221767670754e+01 |
4.630000000000000e-13 |
-4.263256414560601e-13 |
PASS |
| Multipoles [step 0] |
2.381842058033309e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.381842058033309e-16 |
PASS |
| Multipoles [step 52] |
-3.817238054764098e-03 |
-3.817238054773396e-03 |
6.510000000000000e-14 |
9.298117831235686e-15 |
PASS |