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

[Saleem Hasan]

Hello All,

I am not a physicist and I am also new to both xcrysden as well as crystal. I am helping install both the packages and assist the faculty and graduate students in the Physics Dept run both packages separately and together.

To date, I have installed and run crystal09 (examples) on linux and xcrysden on Windows XP and linux.
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 thought that, may be, one reason could be that I am using crystal 09 and the file may have been placed in a different place in crystal 09 as opposed to the earlier versions. The other reason could be that I installed crystal 09 in /usr/local/src and not in my user directory. The reason was that this would allow others to use crystal without having to install their own versions. 

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. I had read that the input file and .f9 file (binary file) is what xcrysden uses when the custom-difinitions file is configured to use crystal. Before I try to resolve the link issue, I would very much like to see if I can plot the charge densities from crystal by taking the data and creating an xcrysden file in xsf format. The reason I keep thinking that it is the f25 file in crystal is that it has data for band, dss, and maps. The main reason I want to plot crystal data without linking it to xcrysden is that this way I will learn a lot more about the xsf format and about running xcrysden and crystal.

Thank you very for your help.

Saleem Hasan