[Wien] Problem for calculating elastic constants (negative value for c12)

[halim said]

Dear Wien users,
   
  I calculated the elastic constants for  antifluorite  compounds, but right-now I have problem for getting negative values for c12 elastic constant?
   
  I tried to increase the number of kpoints, it doesn't work, I can't figure out the problem come from what.
   
  Does someone know how to solve the problem? your help is highly appreciate.
   
  Regards.
   
  Halim

 		
---------------------------------
 Yahoo! Mail réinvente le mail ! Découvrez le nouveau Yahoo! Mail et son interface révolutionnaire.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060706/490f0990/attachment.html