[Pw_forum] Xcrysden charge plot - reg.,

[Tone Kokalj]

On Fri, 2014-01-31 at 12:28 +0530, Muthu V wrote:
> Dear QE'ians
> 
> 
> i drawn charge density plot using .xsf (for charge density)  file. i
> have two questions  regarding plotting with xcrysden
> 
> 
> 1.   xcrysden do well. but i want to display atom only at the
> interested point in crystal not all atoms in whole crystal...

The easiest way is to edit the XSF file and delete the unwanted atoms.
For the description of XSF file, see:
http://www.xcrysden.org/doc/XSF.html

> 
> 
> 2.   ... xcrysden shows opening with which gives details of the file
> along with multiplying factor. if change this value nothing happens
> except changes in lower and higher rendering value of charge. what is
> the use of multiplying factor?

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


> 3.   i want to plot for specific bands in that in band structure. QE
> gives me options for this. but by changing the  lowest and highest
> rendered value i can get different plot. what they mean?  is this
> correspond to charge plot for different bands? 

It is not clear what you mean .... elaborate!

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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