The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,

For theorical matters you can start with books like :
http://books.google.com/books?id=dmRTFLpSGNsC&pg=PA119&dq=martins+density+functional+theory&sig=jgF98-kwou2IyKm5bwv0WhGa29o#PPP1,M1
On the way to use Abinit the best is likely to work your way through
the tutorials http://www.abinit.org/Infos_v5.5/tutorial/welcome.html .
They will show you lots of exemples, input files and so on. Just what
you need to get the basic technical skills with Abinit. After
following them all (or part of them) you will be able to perform lots
of calculation to get optical properties of ZnO. Most likely you have
to learn GW if you want reasonnable optical results.

regards

PMA


On Fri, Jun 20, 2008 at 3:34 PM, Mbarki Mourad <mbarki_mourad@yahoo.com> 
wrote:
> Dear all,
>  I would be very grateful if someone can advice me on
> how to calculate electronic and optical properties of
> doped ZnO.
> I mean the lessons that I would see, the efficient
> approach and if possible are they any tests files in
> the package that I can fallow...
> with best regards.
>
>
>
>



-- 
Pierre-Matthieu Anglade