Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351387940465789e+01 |
-1.351387940465781e+01 |
5.000000000000000e-13 |
-8.171241461241152e-14 |
PASS |
| Energy [step 52] |
-1.351350086579668e+01 |
-1.351350086579652e+01 |
5.000000000000000e-13 |
-1.634248292248230e-13 |
PASS |
| Multipoles [step 0] |
9.763619440047391e-17 |
0.000000000000000e+00 |
1.000000000000000e-15 |
9.763619440047391e-17 |
PASS |
| Multipoles [step 52] |
-3.793333093325187e-03 |
-3.793333093268998e-03 |
1.000000000000000e-13 |
-5.618942811036476e-14 |
PASS |