Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-4.466055821060293e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
-2.124255330963673e-15 |
PASS |
| Multipoles [step 20] |
-1.265537116546955e-01 |
-1.265537116546943e-01 |
5.310000000000000e-15 |
-1.165734175856414e-15 |
PASS |
| Forces [step 1] |
8.537674454622657e-02 |
8.537674454622635e-02 |
9.040000000000000e-15 |
2.220446049250313e-16 |
PASS |
| Forces [step 20] |
7.966913104353424e-02 |
7.966913104353623e-02 |
9.530000000000000e-15 |
-1.998401444325282e-15 |
PASS |