Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 81aaf54c0a876807db604366b921af6af05ee8c1 >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -7.316022787584586e-16 | -2.341800490096620e-15 | 5.950000000000000e-15 | 1.610198211338161e-15 | PASS |
| Multipoles [step 20] | -1.265537116546932e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | 1.110223024625157e-15 | PASS |
| Forces [step 1] | 8.537674454622568e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.966913104353468e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -1.554312234475219e-15 | PASS |