[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


      
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