Transfer LCAO wfc to pw basis #5291
hongriTianqi
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The inverse transform that transforms pw wfc to lcao basis would be very useful as well, but it now suffers for low accuracy, did you plan to implement it? I investigated this topic before, and I would recommand this paper: https://pubs.aip.org/aip/jcp/article/143/10/104109/898790/A-projection-free-method-for-representing-plane |
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@mohanchen Do you have comments on this issue? thanks. |
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I will think about it |
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