How to fix the space group in a doped super cell in VESTA?

Peram sreenivasa Reddy @Peram_Sreenivasa_Reddy

10 October 2018 0 7K Report

Hi,

I am working on X2YZ type compound with space group 225. Here i am trying to dope Fe on Y site. For this first i have created primitive cell by using phonopy. By using the same primitive cell i have created 2x2x2 super cell which is having 8 number of Y atoms. Now i tried to replace each Y atom with Fe and created input files for vasp. After some doping percent, the space group of input file is completely changing from 225. Here i am facing the problem.

Please suggest me how to fix the space group of doped in file?.

Thanking you.

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