[Pw_forum] Hubbard term U in optical properties

[Giuseppe Mattioli]

Dear Mulwa Winfred

Your question is too vague (which optical properties? what system? a doped crystal? a doped nanoparticle?). There is *very abundant literature* on 
DFT+U & anatase TiO2, so you should first clarify your ideas before asking. However, remember that here you can generally expect to find help on 
technical details of scientific problems. You should not ask the mailing list for help on scientific problems...
HTH
Giuseppe 

On Tuesday, December 15, 2015 10:37:05 AM Winfred Mulwa wrote:
> Dear all,
> I am calculating the optical properties of Gd doped anatase TiO2. My
> question is,
> should i include the value of U in my input file.
> Thank you in advance
> Regards
> Mulwa Winfred.
> D Phil Student, Computational Material Science Group,
> University of the Free State - QwaQwa,
> South Africa.

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   Giuseppe Mattioli                            
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