Skip to content

GitLab

Convergence control · Changes

Page history
Update Convergence control authored by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
Hide whitespace changes
Inline Side-by-side
Convergence-control.md
View page @ ea21901d
......@@ -79,9 +79,9 @@ Our tests show that typically the algorithm converges faster when *potentials* a
## Disabling mixing in the first iteration
In some cases, it is required to disable mixing in the first iteration. Typically, it is required when:
* the solver has been [initialized manually](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Initialization%20of%20the%20st-wslda%20solvers#custom-initialization-of-the-solver), and thus integral integrity of data is not maintained.
* [automatic interpolations](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Automatic%20interpolations) has been applied.
* [automatic interpolations](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Automatic%20interpolations) have been applied.
In such cases, not all buffers related to the previous iteration are filled correectly. In the case of the [custom initialization](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Initialization%20of%20the%20st-wslda%20solvers#custom-initialization-of-the-solver) most likely they are set to zero, while in the case of the [automatic interpolations](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Automatic%20interpolations) some quantities like $`\nu`$ or $`\tau`$ are interpolated incorrectly (strong cut-off dependence is not taken into account). To do not propagate the incomplete/incorrect data into the self-consistent process in the first we can disable fragments of the code that depend on the historical iterations.
In such cases, not all buffers related to the previous iteration are filled correctly. In the case of the [custom initialization](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Initialization%20of%20the%20st-wslda%20solvers#custom-initialization-of-the-solver) most likely they are set to zero, while in the case of the [automatic interpolations](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Automatic%20interpolations) some quantities like $`\nu`$ or $`\tau`$ are interpolated incorrectly (strong cut-off dependence is not taken into account). To do not propagate the incomplete/incorrect data into the self-consistent process in the first iteration we can disable fragments of the code that depend on the historical iterations.
To do this use the following flag:
```bash
nomixstart 1 # do not do mixing for starting iteration
......