I'm reading a paper on a simulation of graphene and carbon nanotube growth on SiC, in the paper they give a few computational details about the structural optimization of the SiC model using a conjugate gradient method and they state the maximal force component as
1x10^{-4}Ha/a_o
What is this...
Yes, I'm just trying to verify if I'm assembling this correctly. I'm having a hard time understanding some of the solid state jargon and concepts about crystals and lattices.
The 6H-SiC unit cell is shown in this diagram.
I'm having some difficulty understanding how to assemble a particular polytype of SiC and I think I may have made a mistake...my solid state knowledge is limited.
Basically I start with a hexagonal unit cell for SiC (Moisssanite; four atoms), I attached an image of this unit...I then extended...