Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
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 | -1.265537116546878e-01 | 1.240000000000000e-14 | -3.580469254416130e-15 | PASS |
| Forces [step 1] | 8.537674454621991e-02 | 8.537674454623700e-02 | 1.980000000000000e-14 | -1.709743457922741e-14 | PASS |
| Forces [step 20] | 7.966913104353202e-02 | 7.966913104354600e-02 | 1.830000000000000e-14 | -1.398881011027697e-14 | PASS |