Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -3.403086406422728e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -1.061285916326109e-15 | PASS |
| Multipoles [step 20] | -1.265537116546950e-01 | -1.265537116546943e-01 | 4.140000000000000e-15 | -6.661338147750939e-16 | PASS |
| Forces [step 1] | 8.537674454622701e-02 | 8.537674454622635e-02 | 9.040000000000000e-15 | 6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.966913104353512e-02 | 7.966913104353623e-02 | 9.530000000000000e-15 | -1.110223024625157e-15 | PASS |