The ABINIT Users Mailing List ( CLOSED )

[Bernard Amadon <bernard.amadon@cea.fr>]

Dear Anurag,

You can have a look to the PAW tables (UsppPAW and AtomPAW tables: 
http://www.abinit.org/PAW/). They contain
the elements that you need (as usual, you have to test these atomic data).

Best regards
Bernard


Anurag Chaudhry a écrit :
> Hello,
>
> I had asked about LSDA+U calculations with  Abinit recently.  From the 
> response I got I came to know it is possible with PAW atomic data.  
> Thanks to everyone for their help.
>
> I am interested to do LSDA+U calculations for few compounds of Sr, Ba 
> and halides (F, Cl, Br, I).  Has someone generated PAW data for these 
> elements ?
>
> thanks,
> Anurag
>
> ------------------------------------------------------------------------
> Not happy with your email address?
> Get the one you really want <http://uk.docs.yahoo.com/ymail/new.html> 
> - millions of new email addresses available now at Yahoo! 
> <http://uk.docs.yahoo.com/ymail/new.html>