[xcrysden] Problem with 2D charge density maps

[Tone Kokalj]

On Tue, 2009-08-04 at 17:49 -0500, Nicholas Dimakis wrote:
> 
> Hello
> 
> I have the following systems,  Pt-CO and PtOs-CO (I replaced 2 Pt
> atoms with Os). My calculations are using CRYSTAL06. I was able to
> plot the 3D maps (charge differences) with no problems. However I
> cannot get the 2D maps in a way that shows blue and red regions
> similar to the ones shown at http://www.xcrysden.org/Pictures.html.
> 
> Any ideas ?

Dear Nikolaos,

You will have to be more specific what is the problem with "not getting
the 2D maps". 

At this moment I can only give you some links, where this kind of
plotting is described. The xcrysden --> crystal interface is described
here:

http://www.xcrysden.org/doc/crystal.html

(in particular: http://www.xcrysden.org/doc/crystal.html#__toc__30
and http://www.xcrysden.org/doc/crystal.html#__toc__34 )

As for general help about 3D-isosurface/2D-contour, see this:

http://www.xcrysden.org/doc/density.html
http://www.xcrysden.org/doc/plane1control.html
http://www.xcrysden.org/doc/isocontrol.html


Regards, Tone
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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