J. Schiotz et Ae. Carlsson, CALCULATION OF ELASTIC GREENS-FUNCTIONS FOR LATTICES WITH CAVITIES, Physical review. B, Condensed matter, 56(5), 1997, pp. 2292-2294
We present an algorithm for calculating the elastic lattice Green's fu
nction of a regular lattice, in which defects are created by removing
lattice points. The method is computationally efficient, since the req
uired matrix operations are on matrices that scale with the size of th
e defect subspace, and not with the size of the full lattice. This met
hod allows the treatment of force fields with many-atom interactions.