[Pw_forum] where I can find BLYP USPP for Ru?

[GAO Zhe]

Really? I remember that one can simply set dft='blyp' in &input namelist of ld1.x......


--
GAO Zhe
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Korea
 

At 2012-07-12 16:52:14,"yavar pour azar" <pourazar2012 at gmail.com> wrote:
Dear QE users,

I want to use US.PP, generated by blyp functional for Ru.

But according to "Notes on pseudopotential generation" by prf. Giannozzi, this functionals are not allowed in atomic code.

anyone can help me to find or generate such pseudopotential for Ru arom?


thanks in advance.



Y.  Taghipour Azar
PhD students
Physics Group, AEOI, Tehran, Iran

 
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