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and induces a force on the lattice sites. This is shown in Fig. 1. The objective of the mathematical model is to calculate the resulting values of the atomic displacements.

The GF in the MSGF method is calculated by minimizing the total energy of the lattice. The potential energy of the lattice in the form of an infinite Taylor series in atomic displacements in the harmonic approximation as follows

:

where L and L′ label the atoms, a and b denote the Cartesian coordinates, u denotes the atomic displacement, and

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