[QE-users] wrong plane average electrostatic potential

[Wilber Muriel]

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?


Wilver M.
PhD Student in Physics
University Of Chile

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240113/2740fd30/attachment.html>