Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.556205988865767e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -1.214405498769147e-15 | PASS |
| Multipoles [step 20] | -1.265537116546960e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -1.720845688168993e-15 | PASS |
| Forces [step 1] | 8.537674454622479e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -1.554312234475219e-15 | PASS |
| Forces [step 20] | 7.966913104353557e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -6.661338147750939e-16 | PASS |