Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 5.111380069200422e-16 | -2.341800490096620e-15 | 5.950000000000000e-15 | 2.852938497016662e-15 | PASS |
| Multipoles [step 20] | -1.265537116546905e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 3.774758283725532e-15 | PASS |
| Forces [step 1] | 8.537674454622968e-02 | 8.537674454622635e-02 | 3.660000000000000e-15 | 3.330669073875470e-15 | PASS |
| Forces [step 20] | 7.966913104353823e-02 | 7.966913104353623e-02 | 2.690000000000000e-15 | 1.998401444325282e-15 | PASS |