[Pw_forum] a problem about the output of example2

[FELIPE VALENCIA]

Ok, thanks, now I have got it... 

I guess I was just thinking about the
dielectric response (dielectric function), thanks anyway :-
)). 
By the way : which do you
think that would be the easier way to calculate electronic contributions
to the dynamic response within PWSCF (i.e. without resorting to TDDFT) ?


Felipe

> On Friday 17 October 2003 01:32, FELIPE VALENCIA wrote:
> 
> > I am a little confused. As long as I knew, pwscf only dealt with the
> > phonon contribution to the dielectric response, but it seems, from 
> > your reply, that there have been major changes and now you can
> > study electronic contributions...
> 
> there are major changes all the time :-) but PWscf has always
> calculated what is called "epsilon infinity", that is, the electronic
> contribution to the dielectric tensor at clamped ions (see:
> Rev. Mod. Phys. 73, 515 (2001) ). The ionic contribution can be
> easily added knowing the force constants and effective charges 
> (both calculated by PWscf).
> 
> Paolo
> 
> -- 
> Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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