[Pw_forum] mixing pseudopotentials generated with different methods

Fen Hong gm030212 at gmail.com
Fri Apr 26 04:29:43 CEST 2013


Dear all,

Is it ok to mix pseudopotentials generated with different method?

If there are H,  Au, C in my system.

Is it possible use H pseusopotential with norm-conserving, Au with PAW, and
C with ultrasoft.

 If can, is there any problem to mix them?

If can not,  how about ultrasoft pseudopotential for H, Au, C. but H is
generated with TM, Au with rrkj, C with vanderbuilt.


Min,

Hokkaido University

Japan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130426/679f3a65/attachment.html>


More information about the users mailing list