[Pw_forum] Generating Psuedopotentials
Mark Mazar
mazar83 at gmail.com
Fri Jun 27 21:57:11 CEST 2008
Hello all,
I am in need of an ultrasoft pbe pseudo potential for Mo. After
reviewing the vanderbuilt website
(http://www.physics.rutgers.edu/~dhv/uspp/), I realized that the
generation process is quite complicated and that none have been
constructed there. Further, the pwscf website has a Mo, but it is for
pw91. Does anyone have a working ultrasoft pbe Mo psuedopotential? Or
does someone know an easy way to generate one that will work with the
Quantum Espresso distribution?
Thanks,
--
Mark Mazar
Graduate Student in Materials Science
Chemical Engineering and Materials Science
University of Minnesota
Office: (612)624-3311
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