I am trying to calculate the thermal conductivity of MS2/WS2 heterostructure using Green-Kubo method . Could anyone help me what would be pair style and pair coeff of the structure? I know this is a very silly ques I am a beginner in learning lammps and MD.
Not a silly question, but you will get much faster answers if you use the “Search” feature on the forum, look at what comes up, and start trying things until you hit a concrete problem you don’t understand.
That way you can get a lot done on your own and only have to wait for a forum answer when you absolutely must (which could take hours or days!)