BSSE error

[paramjot]

When calculate adsorption energy using DFT LCAO, there is BSSE error, is that also present DFT-PW ?  and how to remove that in DFT LCAO?

[Petr Khomyakov]

The BSSE correction is not required for DFT-PW calculations. To correct it in DFT-LCAO, please take a look at this tutorial https://docs.quantumatk.com/tutorials/dispersion_corrections_and_bsse/dispersion_corrections_and_bsse.html.