Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-3.228472421042475e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
-8.866719309458548e-16 |
PASS |
| Multipoles [step 20] |
-1.265537116546893e-01 |
-1.265537116546878e-01 |
1.240000000000000e-14 |
-1.471045507628332e-15 |
PASS |
| Forces [step 1] |
8.537674454623057e-02 |
8.537674454623700e-02 |
1.980000000000000e-14 |
-6.439293542825908e-15 |
PASS |
| Forces [step 20] |
7.966913104354134e-02 |
7.966913104354600e-02 |
1.830000000000000e-14 |
-4.662936703425657e-15 |
PASS |