Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.015563994801691e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -6.737635047050712e-16 | PASS |
| Multipoles [step 20] | -1.265537116546905e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 3.774758283725532e-15 | PASS |
| Forces [step 1] | 8.537674454622923e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | 2.886579864025407e-15 | PASS |
| Forces [step 20] | 7.966913104353779e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | 1.554312234475219e-15 | PASS |