| ... | @@ -79,9 +79,9 @@ Our tests show that typically the algorithm converges faster when *potentials* a |
... | @@ -79,9 +79,9 @@ Our tests show that typically the algorithm converges faster when *potentials* a |
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## Disabling mixing in the first iteration
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## Disabling mixing in the first iteration
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In some cases, it is required to disable mixing in the first iteration. Typically, it is required when:
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In some cases, it is required to disable mixing in the first iteration. Typically, it is required when:
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* 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.
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* 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.
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* [automatic interpolations](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Automatic%20interpolations) has been applied.
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* [automatic interpolations](https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/Automatic%20interpolations) have been applied.
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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.
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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.
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To do this use the following flag:
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To do this use the following flag:
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```bash
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```bash
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nomixstart 1 # do not do mixing for starting iteration
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nomixstart 1 # do not do mixing for starting iteration
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