Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
3.859297525109738e-16 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
2.727730242607594e-15 |
PASS |
| Multipoles [step 20] |
-1.265541277298124e-01 |
-1.265541277298150e-01 |
6.330000000000000e-15 |
2.553512956637860e-15 |
PASS |
| Forces [step 1] |
8.537492460198504e-02 |
8.537492460197621e-02 |
9.710000000000000e-15 |
8.826273045769994e-15 |
PASS |
| Forces [step 20] |
7.966771527219496e-02 |
7.966771527219201e-02 |
6.850000000000000e-15 |
2.955968803064479e-15 |
PASS |