Dear Murugan I'm also working on the antiferromagnetic calculation and for the materials that have high symmetry like cubic systems, we do not need to use supercell function to do that like the examples of Cr and NiO.
The antiferromagnetic structure of your material is linked below: Good luck -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie
DyPdBi-afm.struct
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