Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 2.269994251163226e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 4.611794741259846e-15 | PASS |
| Multipoles [step 20] | -1.265537116546917e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 2.581268532253489e-15 | PASS |
| Forces [step 1] | 8.537674454622701e-02 | 8.537674454622635e-02 | 3.660000000000000e-15 | 6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.966913104353379e-02 | 7.966913104353623e-02 | 2.200000000000000e-15 | -2.442490654175344e-15 | FAIL |