Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-min-parallel-zen4: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -4.395620586267191e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -2.053820096170571e-15 | PASS |
| Multipoles [step 20] | -1.265537116546985e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | -4.163336342344337e-15 | PASS |
| Forces [step 1] | 8.537674454622124e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -5.107025913275720e-15 | PASS |
| Forces [step 20] | 7.966913104353068e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -5.551115123125783e-15 | PASS |