[Pw_forum] k points in epsilon.x

[dev sharma]

Sir, i want to calculate dielectric constant as a function of frequency.  I
have read the manual And it is written there that
Epsilon.x doesn't support the reduction of the k-points grid into the
unreducible Brillouin zone, so the previous PW runs must be performed with a
uniform k-points grid and all k-points weights must be equal to each other,
i.e. in the k-points card the k-points coordinates must be given manually in
\emph{crystal} or \emph{alat} or \emph{bohr}, but not with the
\emph{automatic} option.
Thanks

On Mon, Oct 12, 2009 at 12:40 PM, Gabriele Sclauzero <sclauzer at sissa.it>wrote:

>
> dev sharma wrote:
> > hi 2 all,
> >
> >  I have one question. In epsilon.x, the k points is not automatic
> > option. Sir, means how to give the K points option i.e. we have to give
> > only irreducible k points or like for the calculation ='bands' , we have
> > give the path (like G{0,0,0}-->X(0.5,0,0)). If we have to give the
> > irreducible points , how to calculate those points ???? can i do this ,
> > that run the pw.x with a mesh like 4*4*4 grid  and the number of k
> > points in the scf output are the required k points
>
> Never used this utility, so maybe my advice is useless: are you sure that
> epsilon.x does
> need a k-point grid on input? For what purpose are you using the program?
> Do you know what
> it computes? If not, please look at the documentation in Doc/eps_max.tex.
>
>
> GS
>
>
> PS: Please always sign your mails with your name and affiliation. Thanks
>
>
>
> --
>
>
> o ------------------------------------------------ o
> | Gabriele Sclauzero, PhD Student                  |
> | c/o:   SISSA & CNR-INFM Democritos,              |
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> | email: sclauzer at sissa.it                         |
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