Hi MS user,
I have prepared a structure consisting of Graphene sheet over SiO2 Surface in a box(Lattice). While preparing this layer the lattice parameters of supercell of both Graphene sheet and SiO2 were exactly equal. But when I minimized this structure, the Sheet and the surface bended such that the box is smaller than the length of the Sheet and the surface. How do I get rid of this problem? Any suggestion is heartily appreciated.
Thank you.
Laxmi