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Hi there,

We are investigating the possibilities of doing the calculation of an oxide with limited oxygen deficiency. It has very limited vacancies, which are far less than taking 1 oxygen atom out from 1 unit cell. One choice for us is to construct a supercell and take 1 oxygen atom out. However, the supercell will have ~500 atoms, which is too expensive for our calculations.

Is there any suggestions about how to handle this small solubility calculations? Thanks a lot.

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