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ABSTRACT
This project work reviewed the history, theory and application of the EAM, and how to apply it to calculate phonon frequencies through a diagonalization of the dynamical matrix which is a function of the force constants. The force constant tensor is obtained from the generalized embedded atom method (GEAM) which is a modification of the embedded atom method (EAM). The generalized embedded atom method (GEAM) which is characterized by a second order differential equation is being applied in this work due to its flexible embedding function and the fact that it is sufficiently rich to allow for a Cauchy discrepancy (C12 – C44) that may be positive or negative.
