Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -2.010532426579160e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 3.312680635174601e-16 | PASS |
| Multipoles [step 20] | -1.265537116546913e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 3.053113317719180e-15 | PASS |
| Forces [step 1] | 8.537674454622568e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.966913104353690e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | 6.661338147750939e-16 | PASS |