Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -1.841942370113189e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | 4.998581199834305e-16 | PASS |
| Multipoles [step 20] | -1.265537116546935e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | 7.771561172376096e-16 | PASS |
| Forces [step 1] | 8.537674454622746e-02 | 8.537674454622635e-02 | 3.660000000000000e-15 | 1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.966913104353424e-02 | 7.966913104353623e-02 | 2.200000000000000e-15 | -1.998401444325282e-15 | PASS |