[PW_forum] Calculating Raman Intensities

[Axel Kohlmeyer]

On 6/6/06, John B Burdette <burde1jb at cmich.edu> wrote:
> "calculation of Raman coefficients with Ultrasoft
> Pseudopotentials is not implemented". Is it clear now?
>
> Does this imply that Raman coefficients cannot be calculated
> using Ultrasoft Pseudopotentials?  Or does it mean I haven't
> turned on a switch somewhere?

john,

not implemented means 'not programmed'.
that can have various reasons: it may not be possible,
too complicated, or nobody bothered to do it.

it definitely means though cannot do it _right now_,
regardless of any input file changes. this is a matter
of changing the source code.

regards,
    axel.

>
> John
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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