Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-7.316022787584586e-16 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
1.610198211338161e-15 |
PASS |
| Multipoles [step 20] |
-1.265537116546950e-01 |
-1.265537116546878e-01 |
1.240000000000000e-14 |
-7.244205235679146e-15 |
PASS |
| Forces [step 1] |
8.537674454622080e-02 |
8.537674454623700e-02 |
1.980000000000000e-14 |
-1.620925615952729e-14 |
PASS |
| Forces [step 20] |
7.966913104353113e-02 |
7.966913104354600e-02 |
1.830000000000000e-14 |
-1.487698852997710e-14 |
PASS |