Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-1.272563353521897e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
1.069237136574723e-15 |
PASS |
| Multipoles [step 20] |
-1.265541277298144e-01 |
-1.265541277298150e-01 |
6.330000000000000e-15 |
6.106226635438361e-16 |
PASS |
| Forces [step 1] |
8.537492460197571e-02 |
8.537492460197621e-02 |
9.710000000000000e-15 |
-4.996003610813204e-16 |
PASS |
| Forces [step 20] |
7.966771527219096e-02 |
7.966771527219201e-02 |
6.850000000000000e-15 |
-1.040834085586084e-15 |
PASS |