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.
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
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.
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