Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-8.552650775095483e-16 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
1.486535412587072e-15 |
PASS |
| Multipoles [step 20] |
-1.265541277298150e-01 |
-1.265541277298150e-01 |
6.330000000000000e-15 |
0.000000000000000e+00 |
PASS |
| Forces [step 1] |
8.537492460197704e-02 |
8.537492460197621e-02 |
9.710000000000000e-15 |
8.326672684688674e-16 |
PASS |
| Forces [step 20] |
7.966771527219096e-02 |
7.966771527219201e-02 |
6.850000000000000e-15 |
-1.040834085586084e-15 |
PASS |