[Pw_forum] epsilon.x

dev sharma decboy9 at gmail.com
Mon Sep 28 08:57:07 CEST 2009


Dear sir,
 Thank you very much sir. The dielectric constant we can even found by
phonon also. I want to know that can we calculate the dielectric constant ,
electro-optic coefficient as a function of external electric field. Like if
i want to increase electric field in Z direction gradually , what is change
in dielectric constant , electro optic properties and non linear optical
properties???? which parameters to apply ?? which inputs to be added ???
Thanks,
Take care,
Dev Sharma,
University of Delhi,
India

On Mon, Sep 28, 2009 at 1:11 AM, Emine Kucukbenli <kucukben at sissa.it> wrote:

> Dear Dev,
> I also have never used this feature of the code but Doc directory has
> useful documents when you need answers: Doc/eps_man.tex
> It is clearly stated there that "the non-local contribution due to the
> pseudopotential is neglected. Actually the correction to the matrix
> element that take into account the non-local part of the Hamiltonian
> is not implemented."
> So to develop the code for USPP you need to find a way to calculate &
> add these corrections, I guess. You can check epsilon.f90 to learn
> more..
> emine kucukbenli, Sissa, Italy
>
>
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