Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | 3.275969339550100e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 5.617769829646719e-15 | PASS |
| Multipoles [step 20] | -1.265537116546914e-01 | -1.265537116546943e-01 | 5.310000000000000e-15 | 2.886579864025407e-15 | PASS |
| Forces [step 1] | 8.537674454622524e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | -1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.966913104353646e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | 2.220446049250313e-16 | PASS |