Hello everyone, I want to calculate elastic constants (C11, C22, C12, and C66) for a single layer graphene sheet by MD simulation in LAMMPS. I am using the following equation:
E = (C11*C22-C12*C21)/C22 and poisson ratio = C12/C22 from this paper:
http://www.sciencedirect.com/science/article/pii/S0261306909003082
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