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

[Mahmoud Payami]

Dear Eduardo,
Thank you for suggestion. But it seems all the cases in the gallery is
consistent with the slab options in {+x, -x, +y,...} directions.
Best regards,
Mahmoud



> Dear Mahmoud,
> There is an example of what you need (and so do I) in the Picture Gallery
> (see http://www.xcrysden.org/Pictures.html). However, I am afraid that
> this feature works only in combination with CRYSTAL.
> Best regards
> Eduardo
>
> Message: 3
> From: "Mahmoud Payami" <mpayami at aeoi.org.ir>
> To: <pw_forum at pwscf.org>
> Subject: Re: [Pw_forum] how to specify atoms in a plane by XCrySDen?
> Date: Mon, 6 Jun 2005 09:03:58 +0430
> Reply-To: pw_forum at pwscf.org
>
> Dear Tone,
>
> Thank you very much for your reply. Of course I need to specify a plane in
> an arbitrary direction. Your suggestion needs some elaborations, i.e. one
> should already know the answer. My request is for example specifying all
> atoms in a plane of say fcc structure just by clicking on 3 noncollinear
> atoms in that plane (every 3 noncollinear point defines a plane). I do not
> know how much complicated is implementing.
>
> Best regards,
> Mahmoud
>
> >
> > 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
> >
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