Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
4.549741686914535e-15 |
-2.341800490096620e-15 |
5.950000000000000e-15 |
6.891542177011155e-15 |
FAIL |
| Multipoles [step 20] |
-1.265537116546863e-01 |
-1.265537116546943e-01 |
5.310000000000000e-15 |
8.049116928532385e-15 |
FAIL |
| Forces [step 1] |
8.537674454623234e-02 |
8.537674454622635e-02 |
9.040000000000000e-15 |
5.995204332975845e-15 |
PASS |
| Forces [step 20] |
7.966913104353601e-02 |
7.966913104353623e-02 |
9.530000000000000e-15 |
-2.220446049250313e-16 |
PASS |