Please reply to the list.
Are there papers where AIREBO for graphene gives expt results?
If so, you can try to reprodue those calculations.
Steve
Hi Parveen,
With LAMMPS-AIREBO, we got 0.9TPa modulus for graphene.
https://www.sciencedirect.com/science/article/pii/S0008622316301269
I guess there is problem with your simulation protocol.
Sanjib