[Pw_forum] charge density data in pp.x

[Ruibin Liu]

Does anyone know about it?

On Tue, Feb 26, 2013 at 4:52 PM, Ruibin Liu <rainbee1988 at gmail.com> wrote:

> Hi all,
>
> In pp.x, if plot_num=0, we can get the total charge density data, and if
> we set output_format to be 3, it seems that we can also set the density of
>  meshgrid as described by the Document for PP. However, whatever I change
> the nx, ny and nz numbers to be, the density of meshgrid won't change. Does
> anyone know the reasons and how to change the density of meshgrid?
>
> Another question is how the charge density data is arrayed in the
> X.rho.dat? Or in other words, are they cycling in x, y, z order?
>
>
> Best,
> Ruibin
> --
> *Liu, Ruibin*
> Department of Chemistry
> Duke University
> Durham, NC, 27708
>
>


-- 
*Liu, Ruibin*
Department of Chemistry
Duke University
Durham, NC, 27708
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