Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
1.712848612944740e-16 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
2.513085351391094e-15 |
PASS |
| Multipoles [step 20] |
-1.265537116546915e-01 |
-1.265537116546943e-01 |
4.140000000000000e-15 |
2.803313137178520e-15 |
PASS |
| Forces [step 1] |
8.537674454622479e-02 |
8.537674454622635e-02 |
3.660000000000000e-15 |
-1.554312234475219e-15 |
PASS |
| Forces [step 20] |
7.966913104353690e-02 |
7.966913104353623e-02 |
2.200000000000000e-15 |
6.661338147750939e-16 |
PASS |