[lammps-users] Thermal conductivity calculation

My self Koushik Mondal. I am beggner at LAMMPS .I have a project on Thermal conductivity of Graphene.
So can you give me a source file of calculate thermal conductivity of graphene and the solutions and graphs.

Thanking you
Koushik Mondal

Thermal conductivity calculations are an advanced topic, so as a person being new to LAMMPS you should first get familiar with doing simple MD simulations, calculating easier to obtain properties and thus gradually build your basic skills with LAMMPS. You should graduate to more complex problems. Also, you will not learn a skill by getting everything delivered on a silver platter.

There are examples and the LAMMPS distribution example tree and descriptions in the HOWTO sections of the manual outlining the multiple procedures available.
You should also read up on the necessary textbook knowledge and study relevant publications discussing prior studies on the same material before starting calculations yourself. That will help you to avoid mistakes and check whether your results are reasonable.


Thank you for the information.
I want to learn from besic

Specifically see the examples/KAPPA directory for sample scripts for thermal conductivity.