Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.418365322250573e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -1.076564832153953e-15 | PASS |
| Multipoles [step 20] | -1.265537116546947e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -3.885780586188048e-16 | PASS |
| Forces [step 1] | 8.537674454622524e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.966913104353512e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -1.110223024625157e-15 | PASS |