Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
2.959348159592163e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
5.301148649688783e-15 |
PASS |
| Multipoles [step 20] |
-1.265537116546929e-01 |
-1.265537116546878e-01 |
1.240000000000000e-14 |
-5.107025913275720e-15 |
PASS |
| Forces [step 1] |
8.537674454621946e-02 |
8.537674454623700e-02 |
1.980000000000000e-14 |
-1.754152378907747e-14 |
PASS |
| Forces [step 20] |
7.966913104353113e-02 |
7.966913104354600e-02 |
1.830000000000000e-14 |
-1.487698852997710e-14 |
PASS |