Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 1.712848612944740e-16 | -2.341800490096620e-15 | 5.950000000000000e-15 | 2.513085351391094e-15 | PASS |
| Multipoles [step 20] | -1.265537116546915e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 2.803313137178520e-15 | PASS |
| Forces [step 1] | 8.537674454622479e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -1.554312234475219e-15 | PASS |
| Forces [step 20] | 7.966913104353690e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | 6.661338147750939e-16 | PASS |