I created a CIF file using the experimental parameters of my material, then I used it to create my input file for the unit cell using
Cif2Cell. After that, I relaxed the structure using
If I want to create a supercell (of the same unit cell) to introduce a defect, do I have to use the CIF file with experimental parameters to create the supercell using
Cif2Cell then relax the structure using
vc-relax, or can I directly create a supercell using my input file of the optimized unit cell (without optimizing the supercell)?