[Pw_forum] exchange-correlation and pseudopotential
Uri Argaman
argamanu at post.bgu.ac.il
Mon Apr 4 09:04:13 CEST 2016
Dear QE users and developers
I want to do calculation with MGGA_MS functional for titanium. I do not
find pseudopotential with this XC (ultrasoft is preferred). How can I do
such calculation? Is the best way to use pslibrary? Is it reasonable to
work with different XC than used in the pseudopotential?
Thank you very much
Uri Argaman
Materials Engineering Department
Ben-Gurion University of the Negev
Israel
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