[xcrysden] Is it possible to use the data from crystal .f25 to plot the charge density from crystal without linking crystal to xcrysden

[Tone Kokalj]

On Sun, 2014-03-09 at 16:58 -0500, Saleem Hasan wrote:
> I have both xcrysden and crystal on the same linux machine but when I tried to use crystal 
> results for plotting on xcrysden, I got an error message from xcrysden saying it could not 
> find  the Integrals file. 

I suppose you did not specify properly in
~/.xcrysden/custom-definitions, where you have the CRYSTAL package
installed. For more info see:
http://www.xcrysden.org/doc/custom.html#__toc__1


> However, my main question for this thread is whether it is possible to use .f25 file or some other 
> file in crystal to plot the charge density using xcrysden.

No, this is not possible. You need to start from .f9 file and calculate
the charge density via the options provided by xcrysden's "Properties"
menu.

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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