Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-3.431212345500478e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
-1.089411855403858e-15 |
PASS |
| Multipoles [step 20] |
-1.265541277298163e-01 |
-1.265541277298150e-01 |
6.330000000000000e-15 |
-1.276756478318930e-15 |
PASS |
| Forces [step 1] |
8.537492460197527e-02 |
8.537492460197621e-02 |
6.750000000000000e-15 |
-9.436895709313831e-16 |
PASS |
| Forces [step 20] |
7.966771527219141e-02 |
7.966771527219201e-02 |
6.850000000000000e-15 |
-5.967448757360216e-16 |
PASS |