Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
1.938389085473415e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
4.280189575570036e-15 |
PASS |
| Multipoles [step 20] |
-1.265541277298132e-01 |
-1.265541277298150e-01 |
6.330000000000000e-15 |
1.776356839400250e-15 |
PASS |
| Forces [step 1] |
8.537492460197571e-02 |
8.537492460197621e-02 |
6.750000000000000e-15 |
-4.996003610813204e-16 |
PASS |
| Forces [step 20] |
7.966771527219230e-02 |
7.966771527219201e-02 |
6.850000000000000e-15 |
2.914335439641036e-16 |
PASS |