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] |
-1.265537116546977e-01 |
-1.265537116546943e-01 |
5.310000000000000e-15 |
-3.386180225106727e-15 |
PASS |
| Forces [step 1] |
8.537674454622612e-02 |
8.537674454622635e-02 |
9.040000000000000e-15 |
-2.220446049250313e-16 |
PASS |
| Forces [step 20] |
7.966913104353468e-02 |
7.966913104353623e-02 |
9.530000000000000e-15 |
-1.554312234475219e-15 |
PASS |