Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351259613523190e+01 |
-1.351259613523188e+01 |
2.520000000000000e-13 |
-2.309263891220326e-14 |
PASS |
| Energy [step 52] |
-1.351221767670759e+01 |
-1.351221767670754e+01 |
4.630000000000000e-13 |
-4.440892098500626e-14 |
PASS |
| Multipoles [step 0] |
-3.029172890620044e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.029172890620044e-16 |
PASS |
| Multipoles [step 52] |
-3.817238054822924e-03 |
-3.817238054777976e-03 |
6.990000000000000e-14 |
-4.494755262429706e-14 |
PASS |