Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.124996599381327e-16 | -2.341800490096620e-15 | 5.950000000000000e-15 | 2.029300830158487e-15 | PASS |
| Multipoles [step 20] | -1.265537116546936e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 6.938893903907228e-16 | PASS |
| Forces [step 1] | 8.537674454622435e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -1.998401444325282e-15 | PASS |
| Forces [step 20] | 7.966913104353601e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -2.220446049250313e-16 | PASS |