[xcrysden] how to open the Boundary window
Gavin Abo
gabo13279 at gmail.com
Fri Mar 6 20:33:51 CET 2026
I don't quite follow what you're wanting to visualize. So, you may have
to elaborate further. In the diam8A.scf.in that you attached, I see
there are 23 atomic positions. When viewed in XCrySden, I'm seeing 23
atoms that look to be displayed for all 23 atomic positions.
I took a look at one of the positions, the one for atom 1 and it seems
to be displayed exact were it was specified to be (as seen in carbon.pdf
at [1]).
[1] https://drive.google.com/file/d/11vgAILUk7y_HHhgc2P-KWTreSBPNU6St/view
Kind Regards,
Gavin
XCrySDen user
On 3/6/2026 8:07 AM, Мищенко В.Н. wrote:
>
> Good afternoon,
>
> I'd like to ask how to open the "Boundary" window in XCrySden version
> 1.5.60. The AI help suggests that XCrySden has a "Boundary" button,
> which is usually located on the right side of the control panel.
> However, I couldn't find this button anywhere.
>
> I need this button to visualize all 18 diamond atoms in a complete
> cell as part of a complex structure, along with the graphene atoms, if
> I specify only 8 internal carbon atoms in the ATOMIC_POSITION panel.
> Another method, via the "Modify" and "Number of units drawn" panels,
> suggested by the AI help, doesn't open the "Display all atoms in the
> unit cell" option, and therefore, the 10 boundary carbon atoms that
> make up the 18-atom diamond cube aren't added.
>
>
> Could you advise me on a possible solution to this problem?
>
>
> Sincerely,
>
> Valery Mishchenko
>
> PhD, BSUIR
>
>
>
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