[xcrysden] How to quantify charge density (as a single value of charge density) along certain Bond length Via Xcrystalden

[Tone Kokalj]

On Thu, 2014-01-16 at 04:42 -0800, Masood Yousaf wrote:
> Dear Fellows
> 
> I know how to calculate contour charge density plots for certain
> planes. I want to quantify the charge density (as a single value of
> charge density) in between two species i.e., along the bond length.
> Kindly suggest a way to quantify the charge density.  

Not sure what you really mean, but if you would like to know what is
roughly a value of charge density in some region, then a few options may
be useful. E.g., for contours/colorplane plot, set the "Range" (click
the "Ranges" tab) and the number of isolines, and then display the
thermometer.

For more details refer to: http://www.xcrysden.org/doc/plane1control.html

Regards,

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

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