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 |
3.010000000000000e-13 |
-7.105427357601002e-14 |
PASS |
| Energy [step 103] |
-1.351222686779598e+01 |
-1.351222686779602e+01 |
3.420000000000000e-13 |
4.263256414560601e-14 |
PASS |
| Multipoles [step 83] |
5.517961617327049e-04 |
5.517961618275108e-04 |
1.210000000000000e-13 |
-9.480589056864996e-14 |
PASS |
| Multipoles [step 103] |
3.943654428789734e-03 |
3.943654428877074e-03 |
2.080000000000000e-13 |
-8.733985756848028e-14 |
PASS |