[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



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