[Pw_forum] Xcrysden

Tone Kokalj tone.kokalj at ijs.si
Fri Apr 3 15:44:46 CEST 2009

On Fri, 2009-04-03 at 19:04 +0530, S. K. S. wrote:
> Dear all,
> Thanks a lot for your kind and helpful reply.
> Few things about Xcrysden are yet to be known.
> 1. Now I can print the thermometer after installing
> ImageMagick. However, it prints the thermometer
> separately. Please have a look on  the attached file.
> Is it possible in XCrysden to print the thermometer  together
> with the background  "Xcrysden charge-density" plot????

This is why image manipulation or some other presentation programs are
used for. Take as many "primitive" images as you like and assemble a
master image there.

> 2.  >No! XSF uses Carthesian coordinates (Angstrom units).
>  Then,  is there any other smart way to change Angstrom  coordinates
>   to crystal coordinates in Xcrysden??? The usual pen and paper
>   (analytical and manual) method is not always time-saving especially for
>   non-cubic  (for instance, hexagonal) systems.

There is! 

Instead of making XSF, make a plain pw.x input file and specify
ATOMIC_POSITIONS in crystal units, then load that pw.x input file into
xcrysden. Now you can pass to Carthesian if you wish so (i.e. save the
loaded file as XSF).

>  3.  Another thing I would like  to know, whether it is possible to increase
>   the size of the "XYZ co-ordinate symbol" in Xcrysden???
>   One can easily zoom the picture of a molecule or a crystal in the
>   Xcrysden and print  the larger size picture because   Xcrysden's print is
>   an XWD window dump.  But what about  co-ordinate symbol???
>   Is it possible to make its size bigger?????

Unfortunately not. (you can make it manual though: print it as it is so
that you will have the directions, and then make a new one in some image
processing program)

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

Please, if possible, avoid sending me Word or PowerPoint attachments.
See:  http://www.gnu.org/philosophy/no-word-attachments.html

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