[Wien] Calculating Ueff from ab-initio calculations

[Mehmet Topsakal]

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 <saurabhsamant9 at 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
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-- 
Mehmet Topsakal
Chemical Engineering and Materials Science,
University of Minnesota, Postdoctoral Associate,
www.researchgate.net/profile/Mehmet_Topsakal
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