[Pw_forum] USPP of Zr (LDA)
Takahiro Shimada
takahiro at xyz.mbox.media.kyoto-u.ac.jp
Mon May 29 10:54:06 CEST 2006
Dear users,
I'm looking for a Vanderbilt-type USPP of Zr for LDA.
(valence state: 4s, 4p, 4d, 5s)
It's for PbZrO3.
In the official web page, Vanderbilt-USPPs (LDA) for Pb and O
are supplied, however I could not find that of Zr.
If you have already constructed USPP of Zr,
could you upload or send it by e-mail?
Or, do you have any suggestions?
Thank you.
With best regards,
Shimada
More information about the users
mailing list