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

[Thomas Brumme]

Dear Wilbur,

Can you please explain what should be wrong? You have the same number of minima, the relative depths seem to match. The absolut position is not important but only relative energies.

Cheerio

Thomas
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Wilber Muriel <w_next1 at hotmail.com>
Sent: Saturday, January 13, 2024 5:33:54 AM
To: Quantum ESPRESSO users Forum
Subject: [QE-users] wrong plane average electrostatic potential. !! Sorry, I forgot to upload the files in the first message.

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?