[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.

		
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