Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-7.726709652959227e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
-5.384909162862607e-15 |
PASS |
| Multipoles [step 20] |
-1.265537116546991e-01 |
-1.265537116546878e-01 |
1.240000000000000e-14 |
-1.135203042679223e-14 |
PASS |
| Forces [step 1] |
8.537674454622080e-02 |
8.537674454623700e-02 |
1.980000000000000e-14 |
-1.620925615952729e-14 |
PASS |
| Forces [step 20] |
7.966913104353157e-02 |
7.966913104354600e-02 |
1.830000000000000e-14 |
-1.443289932012704e-14 |
PASS |