Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 1.520580536484850e-16 | -2.341800490096620e-15 | 5.950000000000000e-15 | 2.493858543745105e-15 | PASS |
| Multipoles [step 20] | -1.265537116546926e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | 1.665334536937735e-15 | PASS |
| Forces [step 1] | 8.537674454622390e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -2.442490654175344e-15 | PASS |
| Forces [step 20] | 7.966913104353646e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | 2.220446049250313e-16 | PASS |