[Pw_forum] 3D charge density with Xcrysden

[Giovanni Cantele]

Hongsheng Zhao wrote:
> On Tuesday, April 28, 2009 at 20:18, Giovanni.Cantele at na.infn.it wrote:
> [snip]
>   
>> Once all this is done, you may also play with 2D cuts of you charge 
>> density (projection onto a plane),
>> which are directly handled by XCrysDen.
>>     
>
> What  do  you  mean?   Do  you  mean the XCrysDen itself can extract a
>  2D  charge density plot for a specific plane based on the 3D one.  If
>  so, what's the concrete steps?
>
> Best regards,
>   
(sorry, just replying again, maybe the previous answer was not 
successfull because
of a "SPAM" flag in the subject of the e-mail I was replying to)



Yes! even if (at least this is what I've always used!) only xy, yz,xz 
planes, at the moment
it should not possible to specify an arbitrary plane.

once you have opened your xsf file with Xcrysden and the "isosurface 
controls" window
(see previous post links), in the same window you find 4 tabs, one is 
"isosurface"
the other three are "Plane1", "Plane2", "Plane3" or similar, each of 
them allows to select a plane
(xy, yz, xz) and its position, as well as how to display on it isolines, 
colours, etc.
Details in http://www.xcrysden.org/doc/plane1control.html

Giovanni

-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: giovanni.cantele at cnr.it
        giovanni.cantele at na.infn.it
Web: http://people.na.infn.it/~cantele
Research Group: http://www.nanomat.unina.it