[Wien] ERRCLR file is not close and parallel-wien stops

george bush originw2000 at yahoo.com
Wed Apr 19 18:50:48 CEST 2006


Hello, Dear Sir,
  How to deal with the interaction between dipoles in WIEN2k. For example,  for Nd-doped TiO2, is it necessary to worry the effect of possible dipoles on the total energy?
   
  Thanks.


		
---------------------------------
How low will we go? Check out Yahoo! Messenger’s low  PC-to-Phone call rates.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060419/2b813e8d/attachment.html


More information about the Wien mailing list