Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
1.714130607474804e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
4.055931097571424e-15 |
PASS |
| Multipoles [step 20] |
-1.265541277298139e-01 |
-1.265541277298150e-01 |
6.330000000000000e-15 |
1.110223024625157e-15 |
PASS |
| Forces [step 1] |
8.537492460197527e-02 |
8.537492460197621e-02 |
6.290000000000000e-15 |
-9.436895709313831e-16 |
PASS |
| Forces [step 20] |
7.966771527219008e-02 |
7.966771527219201e-02 |
3.980000000000000e-15 |
-1.929012505286209e-15 |
PASS |