| ... | @@ -190,4 +190,6 @@ void modify_potentials(int it, wslda_density h_densities, wslda_potential h_pote |
... | @@ -190,4 +190,6 @@ void modify_potentials(int it, wslda_density h_densities, wslda_potential h_pote |
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h_potentials.mu[SPINB]=0.5;
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h_potentials.mu[SPINB]=0.5;
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}
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}
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}
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}
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``` |
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```
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\ No newline at end of file |
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Note, that when you initialize the solver manually you may break the internal integrity of data, and it can impact the convergence properties of the code. In such case, it is suggested to [disable mixing in the first iteration](https://gitlab.fizyka.pw.edu.pl/gabrielw/wslda/-/wikis/Convergence-control#disabling-mixing-in-the-first-iteration). When applied this option, the integrity of data will be retrieved after the first iteration. |
