[Pw_forum] how to specify atoms in a plane by XCrySDen?

Tone Kokalj tone.kokalj at ijs.si
Tue May 31 14:07:29 CEST 2005

On Tue, 2005-05-31 at 15:20 +0430, Mahmoud Payami wrote:
> Dear Tone,
> I just mean that specifying 3 non-collinear atoms defines a plane that
> include lots of atoms. I just need somehow to highlight those atoms lying on
> this surface.

If your system is a surface (slab), you can use the menu "Tools-->Color
Scheme", and play with the "Slab colors" options, because in this case
you probably want to highlight atoms lying in plane parallel to xy
plane. Otherwise, if the plane of interest is not one of xy, xz, or yz
then you edit the structure file (i.e. XSF file), and replace atoms of
interest with some other "atomic species", and then you color these
"other" atomic species accordingly (Modify-->Atomic color).

Best regards, Tone

More information about the users mailing list