Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 83] |
-1.351350309405769e+01 |
-1.351350309405791e+01 |
3.000000000000000e-13 |
2.167155344068306e-13 |
PASS |
| Energy [step 103] |
-1.351351009473338e+01 |
-1.351351009473370e+01 |
4.500000000000000e-13 |
3.215205879314453e-13 |
PASS |
| Multipoles [step 83] |
6.218975443416346e-04 |
6.218975443429170e-04 |
3.000000000000000e-13 |
-1.282394329615855e-15 |
PASS |
| Multipoles [step 103] |
3.990050594269952e-03 |
3.990050594276555e-03 |
3.000000000000000e-13 |
-6.603224911305716e-15 |
PASS |