[xcrysden] visualize HOMO and LUMO

[Matic Poberznik]

Dear Najmeh,

> 
> Does anyone know how to visualize HOMO and LUMO based solely on output
> files from Siesta ?
> 

Typically an alternative, "postprocessing" output is needed (i.e. a file
where the the charge density corresponding to each orbital is written on
a space grid).

A tool is available to convert such siesta output to xsf format for
visualization in xcrysden (courtesy of Andrei Postnikov)  and is
described here:

http://www.xcrysden.org/doc/sies2xsf.html

See also his lecture where the usage is explained in more detail:

http://www.home.uni-osnabrueck.de/apostnik/Lectures/SIESTA-visual.pdf

Hope this helps,

Best Regards,

Matic
-- 
Matic Poberznik
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia