[Pw_forum] Re. pseudopotential for K
shoutian sun
sunshoutian168 at yahoo.com.cn
Tue Mar 23 05:07:03 CET 2010
Hi PRASENJIT GHOSH,
You can generate your own pp with the code of uspp736.
This code can be download freely from the fallowing site:
http://www.physics.rutgers.edu/~dhv/uspp/
The pp generation input files for K is not so good, however
you can modifiy and test them. Most of uspp are generate by
this code which can be easily found in QE pp library.
You can generate the uspp form for pwscf.
Best regard
sun
Chemistry
CUHK HONG KONG
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100323/372d6702/attachment.html>
More information about the users
mailing list