Dear All,

I want to calculate binding energy of Graphene using Lammps in certain temperature. But I don’t know how to calculate the energy of isolated Carbon atoms using Lammps?

Thank you, I do appreciate with your answer.

Rizal

Dear All,

I want to calculate binding energy of Graphene using Lammps in certain temperature. But I don’t know how to calculate the energy of isolated Carbon atoms using Lammps?

Thank you, I do appreciate with your answer.

Rizal

Dear All,

I want to calculate binding energy of Graphene using Lammps in certain

isn't the binding energy independent of temperature>

temperature. But I don't know how to calculate the energy of isolated Carbon

atoms using Lammps?

LAMMPS does classical MD. it looks like what you are looking for, is a

software that allows total energy calculations through quantum mechanics.

axel.