[lammps-users] Query: LAMMPS for CNT simulations

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1

I have a following question of usage of LAMMPS for Carbon Nanotube
simulations (CNT).

Do you think LAMMPS can be used for CNT simulations?
Since LAMMPS doesnt have Tersoff potential, which potential would be
advisable to use if we are using LAMMPS for CNT simulations?

Thank
Kunal

2

The best potentials for CNTs, I believe, are the REBO class of potentials … which LAMMPS
doesn’t have … if someone wants to implement them that would be great!

Steve