Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-4.558509819618806e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
-2.216709329522186e-15 |
PASS |
| Multipoles [step 20] |
-1.265541277298175e-01 |
-1.265541277298150e-01 |
6.330000000000000e-15 |
-2.498001805406602e-15 |
PASS |
| Forces [step 1] |
8.537492460197393e-02 |
8.537492460197621e-02 |
6.290000000000000e-15 |
-2.275957200481571e-15 |
PASS |
| Forces [step 20] |
7.966771527219185e-02 |
7.966771527219201e-02 |
3.980000000000000e-15 |
-1.526556658859590e-16 |
PASS |