[QE-users] wrong plane average electrostatic potential. !! Sorry, I forgot to upload the files in the first message.

Wilber Muriel w_next1 at hotmail.com
Sat Jan 13 05:33:54 CET 2024


Dear QE users and depeveloper:

I am trying to reproduce the planar average electrostatic potential of In2Se3, as in figure 3B of the article https://www.frontiersin.org/articles/10.3389/fchem.2023.1278370/full, but I get a wrong result. Attached are the input files and the graph I get.

I don't know if the error is due to my input, or some software bug.

Can someone tell me if I am doing something wrong?
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