The ABINIT Users Mailing List ( CLOSED )

[Andrey Chibisov <andreichibisov@yandex.ru>]

Thank you very much!

23.01.09, 04:06, "Xavier Gonze" <xavier.gonze@uclouvain.be>:

> Dear Andrey,
> On 21 Jan 2009, at 02:56, Andrey Chibisov wrote:
> > Hello!
> > How to calculate the frequency-dependent dielectric tensor in the  
> > Response-function calculation?
> You mean, with the rfelfd input variable ?
> If so, the answer is that it is not implemented. rfelfd only drives  
> response with respect to static calculations.
> On the other hand, the computation of the independent-particle  
> frequency-dependent dielectric tensor (well optical response),
> is possible using the "optics" utility, or the "conducti" utility,  
> both distributed in the ABINIT package.
> At the level of the more elaborate  RPA, such a data is "hidden" in  
> the GW
> part of ABINIT, but there, you need to extract from the code, and this  
> is not easy. If you want RPA or more
> elasophisticated approximations (i.e. including excitons), you have to  
> continue an ABINIT calculation using the DP or EXC
> software applications.
> See the links at http://www.abinit.org/community/?text=links
> Wish you the best,
> Xavier

-- 
Andrey Chibisov.
Structural Ceramics Laboratory
Institute of Geology and Nature Management 
Far Eastern Branch of Russian Academy of Sciences