[Wien] calculation of LDA+U in graphical mode

hossien rahnama h_rahnamay at yahoo.com
Fri Oct 27 11:29:35 CEST 2006


Dear wien2k users,
  Thank you very much for your attentiones.I want to calculate LDA+U in graphical mode but I don't know ,that how to apply this approximation in "scf and input files"and what is applications in obtained results(for example:Dos,Band structure,...)?
  Best regardes,
  H.A.Rahnama

 		
---------------------------------
Yahoo! Messenger with Voice. Make PC-to-Phone Calls to the US (and 30+ countries) for 2¢/min or less.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20061027/35106cd0/attachment.html


More information about the Wien mailing list