Input 03-td_self_consistent.02-etrs.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Multipoles [step 1] | -7.726709652959227e-15 | -2.341800490096620e-15 | 5.950000000000000e-15 | -5.384909162862607e-15 | PASS |
| Multipoles [step 20] | -1.265537116546991e-01 | -1.265537116546878e-01 | 1.240000000000000e-14 | -1.135203042679223e-14 | PASS |
| Forces [step 1] | 8.537674454622080e-02 | 8.537674454623700e-02 | 1.980000000000000e-14 | -1.620925615952729e-14 | PASS |
| Forces [step 20] | 7.966913104353157e-02 | 7.966913104354600e-02 | 1.830000000000000e-14 | -1.443289932012704e-14 | PASS |