Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 83] |
-1.351350309405815e+01 |
-1.351350309405791e+01 |
3.000000000000000e-13 |
-2.433608869978343e-13 |
PASS |
| Energy [step 103] |
-1.351351009473404e+01 |
-1.351351009473370e+01 |
4.500000000000000e-13 |
-3.410605131648481e-13 |
PASS |
| Multipoles [step 83] |
6.218975444070170e-04 |
6.218975443429170e-04 |
3.000000000000000e-13 |
6.409998400125350e-14 |
PASS |
| Multipoles [step 103] |
3.990050594299851e-03 |
3.990050594276555e-03 |
3.000000000000000e-13 |
2.329560155889254e-14 |
PASS |