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.