[QE-users] Incorporation of one atom in a structure

[Taswar Iqbal]

Hello gulshan kumar. There is a website you can search by typing ‘findsym’ in google. By uploading your file here you can get an idea about symmetry 


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On Monday, January 27, 2025, 4:36 PM, Gulshan Kumar via users <users at lists.quantum-espresso.org> wrote:

Hi everyone,

I am facing some difficulties accounting for the structure after the incorporation; I am incorporating one  Fe atom in BaTiO3. But after the incorporation of BaTiO3, the structure symmetry changes, so how to account for the symmetry? Is there any software or application . 
Any answer will be appreciated for the support.
Please let me know.

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