  Relaxation volume tensors quantify the effect of stress on diffusion of
crystal defects. Continuum linear elasticity predicts that calculations of
these parameters using periodic boundary conditions do not suffer from
systematic deviations due to elastic image effects and should be independent of
supercell size or symmetry. In practice, however, calculations of formation
volume tensors of the <110> interstitial in Stillinger-Weber silicon
demonstrate that changes in bonding at the defect affect the elastic moduli and
result in system-size dependent relaxation volumes. These vary with the inverse
of the system size. Knowing the rate of convergence permits accurate estimates
of these quantities from modestly sized calculations. Furthermore, within the
continuum linear elasticity assumptions the average stress can be used to
estimate the relaxation volume tensor from constant volume calculations.

Materials Science