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

[Gulshan Kumar]

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.

Thank you
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