Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit b45a8fef6ff6ab58f3c67555688c7395ac2833ed >
Run foss-parallel-debug: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.544219605300380e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -1.202419115203760e-15 | PASS |
| Multipoles [step 20] | -1.265537116546940e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 2.775557561562891e-16 | PASS |
| Forces [step 1] | 8.537674454622701e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | 6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.966913104353424e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -1.998401444325282e-15 | PASS |