[Wien] three-dimensional charge density

Tomas Kana kana at seznam.cz
Thu Aug 1 18:42:29 CEST 2013


Dear Wang Yuanxu,

you may try the XCrysDen code 

http://www.xcrysden.org/ 

There, you can either visualize pre-calculated density or 

compute charge density (it has plug-in into wien2k). 

When computing charge density, you can choose if you want 

2D charge density (Menu File / Open Wien2k / Render pre-Calculated Density) 

or 3D charge density (Menu File / Open Wien2k/ Calculate and Render Density)

Tomas 




---------- Původní zpráva ----------
Od: wang yuanxu <wyxphy at yahoo.com.cn>
Datum: 30. 7. 2013
Předmět: [Wien] three-dimensional charge density

"Dear WiEN2k users,

could you tell me how to obtain three-dimensional charge density file in 
"rho" format?

I can only obtain two-dimensional charge density.


Sincerely yours

Yuanxu WANG
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.
tuwien.ac.at/index.html"
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130801/1d36bc4d/attachment.htm>


More information about the Wien mailing list