Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 1.179415939911443e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 3.521216430008063e-15 | PASS |
| Multipoles [step 20] | -1.265537116546920e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 2.303712776097200e-15 | PASS |
| Forces [step 1] | 8.537674454622524e-02 | 8.537674454622635e-02 | 3.660000000000000e-15 | -1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.966913104353601e-02 | 7.966913104353623e-02 | 2.690000000000000e-15 | -2.220446049250313e-16 | PASS |