Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 81aaf54c0a876807db604366b921af6af05ee8c1 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 6.042276054496476e-16 | -2.341800490096620e-15 | 5.950000000000000e-15 | 2.946028095546267e-15 | PASS |
| Multipoles [step 20] | -1.265537116546921e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | 2.164934898019055e-15 | PASS |
| Forces [step 1] | 8.537674454622746e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | 1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.966913104353335e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -2.886579864025407e-15 | PASS |