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 <[email protected]> on behalf of Wilber Muriel <[email protected]> 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? _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
