Dear Saurabh, I'd like to suggest you another thing. As we did is this study : http://www.sciencedirect.com/science/article/pii/S0927025614005059 , you can first do an HSE calculation and try to match U values which can reproduce HSE DOS.
Hope this helps On Thu, Jan 22, 2015 at 8:23 AM, saurabh samant <saurabhsama...@gmail.com> wrote: > Dear Tran Sir, > > I have read the method. I am finding it much difficult to comprehend > specially how and why to modify the input files after creating the > supercell. Plz explain if possible. > > Thanking you, > Yours sincerely > Saurabh Samant > Ph.D. candidate > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > -- Mehmet Topsakal Chemical Engineering and Materials Science, University of Minnesota, Postdoctoral Associate, www.researchgate.net/profile/Mehmet_Topsakal
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
