I want to make a hetrostucture in material studio for VASP calculations. But i am facing difficulty while doing this. Your suggestion and guideline would be highly appreciated.
hi Majeed , you can use VESTA , but also VNL-ATK wors fine. whatever program you use you rember that to make an heterostructures (hs) you have to minimize the mismatch among the structures. Can do it trying to multiple the unit cell of each structure by integer number-> getting a supercells with mismatch in general lower 1.0 A . However maybe you could use also different unit cell to get the hs