[Pw_forum] a problem about the output of example2

[Paolo Giannozzi]

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

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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