Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 705c4760eef009c58a165e8716adc8057257a566 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.425943122942199e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -1.084142632845579e-15 | PASS |
| Multipoles [step 20] | -1.265537116546916e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | 2.720046410331634e-15 | PASS |
| Forces [step 1] | 8.537674454622879e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | 2.442490654175344e-15 | PASS |
| Forces [step 20] | 7.966913104353823e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | 1.998401444325282e-15 | PASS |