[Pw_forum] DFT+U calculations

[Muhammad Adnan]

Dear Mustafa
Thank you for your valuable time.
Adnan

On Mon, Aug 17, 2015 at 4:54 AM, Mostafa Youssef <myoussef at mit.edu> wrote:

> Dear Adnan,
>
> Please check the two papers I cited  in my earlier message.  In  the 2014
> J. Phys. Condens. Matt. paper , it was shown that U on Ti in SrTiO3
> removes the the Gamma point instability and enhances the M-point
> instability.  In the other paper there is more discussion of the effect of
> U on TiO2 phonons.
>
>
>
> Mostafa Youssef
> MIT
>
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-- 
Best Regards
Muhammad Adnan Saqlain
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