Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -7.726709652959227e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -5.384909162862607e-15 | PASS |
| Multipoles [step 20] | -1.265537116546977e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -3.386180225106727e-15 | PASS |
| Forces [step 1] | 8.537674454622612e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.966913104353468e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -1.554312234475219e-15 | PASS |