Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.228472421042475e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -8.866719309458548e-16 | PASS |
| Multipoles [step 20] | -1.265537116546911e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | 3.219646771412954e-15 | PASS |
| Forces [step 1] | 8.537674454622834e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | 1.998401444325282e-15 | PASS |
| Forces [step 20] | 7.966913104353868e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | 2.442490654175344e-15 | PASS |