Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 1.280054614551367e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 3.621855104647988e-15 | PASS |
| Multipoles [step 20] | -1.265537116546956e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -1.332267629550188e-15 | PASS |
| Forces [step 1] | 8.537674454621813e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -8.215650382226158e-15 | PASS |
| Forces [step 20] | 7.966913104352802e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -8.215650382226158e-15 | PASS |