Dear users, I am doing the super-cell calculation for the first time.
Is it possible to create the super-cell of having the same space group as the parent structure. Suppose, I have the crystal structure of tetragonal symmetry. When I am creating the super-cell of 2*1*1 or 2*2*1, it is changing the space group tetragonal to the monoclinic type (P-P) In this case if I want my symmetry to be same (Tetragonal) in the super-cell, Is it possible to do in Wien2k. If, it is possible, then what should I do for the same. Thanking you. -- Swetarekha Ram, Research Scholar,