[EXTERNAL] Re: Help in deformed structure using Stilliinger-Weber potential

Hi Aidan and Steve

Thanksfor your ideas. Actually, I am working on InN nanowire to study
thermal properties. I made the calculations on the bulk InN just to check
the parameters. The parameters are taken from ,Appl. Phys. Lett. 90,
111901 (2007) (Applied for bulk InN) and J. Vac. Sci. Technol. B 29,
03C133 (2011) (Applied for In_xGa_1-xN quantum dot) and fitted with many
bulk properties.

Aidan mention ed *"**The most direct strategy for fixing this is to lower
the bulk InN structure relative to the deformed structure*. " Do you mean
to heat the strucure upto the times it doesnt get deformed?



Oh, I misunderstood. I thought you were adjusting the potential parameters. There is no guarantee that a potential fit to bulk properties will work well for a nanowire. Also, there is no guarantee that the distorted structures you observed are wrong. Maybe that’s just what InN does. In any case, these are not LAMMPS questions.