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?

Attachment: average.in
Description: average.in

Attachment: ferro.in
Description: ferro.in

Attachment: pp.in
Description: pp.in

_______________________________________________
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

Reply via email to