[QE-developers] PAW pseudopotential for Ba generated in PBEsol

Mazheika, Aliaksei mazheika at tu-berlin.de
Fri Jun 4 11:35:38 CEST 2021


Dear developers of Quantum-Espresso,



my name is Dr. Alex Mazheika from the Technical University of Berlin.



I use your code quite regularly last time, and what I am missing in the library of pseudopotentials is the PAW for Ba to be used with PBEsol XC functional. May I ask you to generate it? Since you are the developers of this library, you know better than me how to do it.



Thank you in advance,

Dr. A. Mazheika
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