[QE-users] Creating a 2 × 2 × 3 Surface of Crystal Structure with 10 Å Vacuum in Burai or XCrysDen

MOSES NTSIFUL moses.ntsiful001 at stu.ucc.edu.gh
Mon Apr 8 17:26:26 CEST 2024


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240408/29897584/attachment.html>


More information about the users mailing list