[QE-users] Creating a 2 × 2 × 3 Surface of Crystal Structure with 10 Å Vacuum in Burai or XCrysDen
sogenyi at student.eaifr.org
sogenyi at student.eaifr.org
Tue Apr 9 09:02:40 CEST 2024
Dear Moses,
There are also tutorials on the web on how to generate slaps using
vesta - a code for visualization and generating structures.
Ogenyi Sunday
EAIFR, University of Rwanda.
Quoting MOSES NTSIFUL <moses.ntsiful001 at stu.ucc.edu.gh>:
> Dear All,
>
> I hope this email finds you well. I am writing to request your assistance
> with a specific task related to crystal structure visualization and
> manipulation. I am currently working on a project that requires the
> creation of a 2 × 2 × 3 surface of a crystal structure with a 10 Å vacuum
> using either Burai or XCrysDen. Despite my efforts, I have not been able to
> successfully complete this task.
>
> I was wondering if I could be provided with some guidance on how to
> proceed. Specifically, I would appreciate any insights you might have on:
>
> 1.
>
> How to create a 2 × 2 × 3 surface of a crystal structure in Burai or
> XCrysDen.
> 2.
>
> How to ensure that the resulting surface has a 10 Å vacuum.
>
> Thank you in advance for the assistance. I look forward to hearing from you
> soon.
>
>
>
> Best regards,
>
> Moses Ntsiful
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