Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 83] |
-1.351221987619895e+01 |
-1.351221987619888e+01 |
2.640000000000000e-13 |
-6.750155989720952e-14 |
PASS |
| Energy [step 103] |
-1.351222686779600e+01 |
-1.351222686779602e+01 |
2.760000000000000e-13 |
2.486899575160351e-14 |
PASS |
| Multipoles [step 83] |
5.517961619328828e-04 |
5.517961618581718e-04 |
1.400000000000000e-13 |
7.471096224315188e-14 |
PASS |
| Multipoles [step 103] |
3.943654429046001e-03 |
3.943654428896824e-03 |
1.990000000000000e-13 |
1.491775453166255e-13 |
PASS |