The ABINIT Users Mailing List ( CLOSED )

[matthieu verstraete <matthieu.jean.verstraete@gmail.com>]

Please direct this kind of request to the abinit forum
forum@abinit.org: this has nothing to do with the developer mailing
list.

Running under linux is always simpler, and most of the binaries
available on the web site are for linux. Once you have done the
tutorials and found the literature on your compound (Philippe Ghosez
in particular has worked on STO for a while) you should have a clearer
idea of the problems you are facing. Also check the list of tests
(tests/*/README files) for test cases which concern your type of
compound. There should be several.

Matthieu

On Mon, Jun 15, 2009 at 5:04 PM, <othmen.khaldi@gmail.com> wrote:
> Hello,
>
> I am a Master student, I wanted to determine the band structure and phases
> transitions of strontium titanate (STO), with the method of ab initio
> calculation, but I have no idea how to begin my work knowing that is done 
> under
> Lunix.
>
> This is the first time I work in this area of development
> I thank you in advance
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72,   Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain        Fax  : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500