I am a new LAMMPS user working on thermal conductivity of nanotubes. I have few queries. I will be thankful to you if you can help me get through with these.
I want to know in using real units in the code, what mass should i use for Carbon?? I mean can i use 12.0 amu with the command mass ?
How to create and measure tempearture gradient in the structure??
Are there any sample programs available for calculating thermal conductivity??