Input 03-td_self_consistent.02-etrs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Multipoles [step 1] |
-2.638775428633749e-16 |
-2.341800490096620e-15 |
1.000000000000000e-14 |
2.077922947233245e-15 |
PASS |
| Multipoles [step 20] |
-1.265537116546928e-01 |
-1.265537116546943e-01 |
1.000000000000000e-14 |
1.498801083243961e-15 |
PASS |
| Forces [step 1] |
8.537674454622390e-02 |
8.537674454622635e-02 |
1.000000000000000e-14 |
-2.442490654175344e-15 |
PASS |
| Forces [step 20] |
7.966913104353557e-02 |
7.966913104353623e-02 |
1.000000000000000e-14 |
-6.661338147750939e-16 |
PASS |