Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-2.573939840563519e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
-2.321393504668991e-16 |
PASS |
| Multipoles [step 20] |
-1.265541277298163e-01 |
-1.265541277298150e-01 |
6.330000000000000e-15 |
-1.276756478318930e-15 |
PASS |
| Forces [step 1] |
8.537492460197260e-02 |
8.537492460197621e-02 |
6.290000000000000e-15 |
-3.608224830031759e-15 |
PASS |
| Forces [step 20] |
7.966771527219274e-02 |
7.966771527219201e-02 |
3.980000000000000e-15 |
7.355227538141662e-16 |
PASS |