Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.351387940465790e+01 |
-1.351387940465781e+01 |
5.000000000000000e-13 |
-8.704148513061227e-14 |
PASS |
| Energy [step 52] |
-1.351350086579659e+01 |
-1.351350086579652e+01 |
5.000000000000000e-13 |
-6.572520305780927e-14 |
PASS |
| Multipoles [step 0] |
3.102337262408685e-16 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.102337262408685e-16 |
PASS |
| Multipoles [step 52] |
-3.793333093332153e-03 |
-3.793333093268998e-03 |
1.000000000000000e-13 |
-6.315521022814963e-14 |
PASS |