I am trying to energy minimize a system of few layer graphene. The interaction between the atoms is modeled as a combination of REBO potential and Kolmogorov/crespi/z. My simulations work when there are only 2 layers of graphene.
However, when there is more than 2 layers, I am getting a segmentation fault. I checked to see if I have made any mistakes in my code. But the documentation for Kolmogorov/crespi/z was not clear on how to use it when there are multiple layers. I just want to make sure that this is not a bug within lammps
I have attached the code (in.equil) and the data file (Gr_4layer_AB.data) along with the potential file. I am using the latest stable lammps release (Aug 11 2017).
Thanks a lot for your help.
Iowa State University, Ames, IA