[Pw_forum] pseudopotential with a hole in the s state
Mansoureh Pashangpour
mansourehp at gmail.com
Sat Aug 9 08:15:19 CEST 2014
Dear all,
To a Xspectra calculation I need a pseudopotential with a hole in the s
state for Mo atom. How can I obtain this pseudopotential to simulate
core-hole effects?
Please let me know how can I construct this pseudopotential.
Thanks alot
M. pashangpour
IAU, Tehran, Iran
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140809/57d30b4d/attachment.html>
More information about the users
mailing list