... | ... | @@ -75,8 +75,14 @@ mixingtype p # 'd' - mix densities, 'p' - mix potentials (default |
|
|
```
|
|
|
|
|
|
Our tests show that typically the algorithm converges faster when *potentials* are used for the mixing procedure. However, we found (rare) cases where mixing of *densities* provides better efficiency.
|
|
|
|
|
|
## 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. To do this use the following flag:
|
|
|
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.
|
|
|
|
|
|
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.
|
|
|
To do this use the following flag:
|
|
|
```bash
|
|
|
nomixstart 1 # do not do mixing for starting iteration
|
|
|
``` |