[QE-users] necessity of U for OER

[Dr. K. C. Bhamu]

Dear Expert QE users

I need your input whether it is a good idea to apply U or not to my OER
calculations of ZnO slab.
I am not intended to produce the band gap.

Your opinion will help me a lot.

I am doing the calculations with Hubbard "U" but I am not able to apply
dipole corrections correctly.
I am wondering how this "U" will change the final OER results.


Thank you very much

KC Bhamu
University of Ulsan
ROK
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