[Wien] How to deal with the interaction of dipoles
george bush
originw2000 at yahoo.com
Sat Apr 15 05:13:56 CEST 2006
Dear users,
In TiO2 host the Nd dopant is 3+ , as it has been determined. The TiO2:Nd unit cell will not be neutral, and can be considered as a dipole. My question is how to deal with the interaction of dipoles in WIEN2k.
thanks.
---------------------------------
Blab-away for as little as 1¢/min. Make PC-to-Phone Calls using Yahoo! Messenger with Voice.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060415/e1ce9b05/attachment.html
More information about the Wien
mailing list