Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.384344623394865e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -1.042544133298245e-15 | PASS |
| Multipoles [step 20] | -1.265537116546985e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -4.218847493575595e-15 | PASS |
| Forces [step 1] | 8.537674454622080e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -5.551115123125783e-15 | PASS |
| Forces [step 20] | 7.966913104353113e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -5.107025913275720e-15 | PASS |