zoowe/tpot

vaspsol plane average of ERRFC

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bujianbusan123-alt commented

Hi， very nice work, could you please tell me how to output plane average of ERRFC (shape function) using VASPsol ?

zoowe commented

Hi,
You can use LWRITEEPS = .TRUE. and NWRITE_ITERS = N. N determines how many electronic iterations that the code skips before writing. This is Epsilon, you can convert it back to shape function.

D.

PS. I am closing this as it is not an issue.
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