[Pw_forum] About the visualization of charge density plot on arbitrary Miller plane of general triclinic crystal system.

[Tone Kokalj]

On Wed, 2008-06-04 at 16:17 +0800, zhaohscas wrote:
> Hi forks,
> 
> I have noticed that the Xcrysden only can visualize the charge density plot on the (100), (010), or (001) Miller plane, not the arbitrary ones.
> 
> If I want to visualize the charge density plot on arbitrary Miller 
> plane of general triclinic crystal system.  Who can give some hints on this thing?

You need to calculate 2D mesh of points by pp.x that lies on the plane
of your interest. Then xcrysden will visualize contours on this
pre-calculated plane.

Regars, Tone


> 
> Any help would be appreciated,
> Sincerely yours,
> Hongsheng.
> 
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-- 
Tone Kokalj <tone.kokalj at ijs.si>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel:
+386-1-477-3523 // fax:+386-1-477-3822)