Hello lammps user, i have some confusion related to interfacial interaction energy. (1) for calculating interaction energy i used group/group command, but as the manual mention that tail correction is not included in the group/group energy so i needed to added the energy of tail correction to the calculated energy (2) According to the literature IE can be calculated by this formu…

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. 1 post - 1 participant Read full topic