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

[Eduardo Ariel Menendez P]

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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