Accurate evaluation of the interstitial KKR-Green function
  It is shown that the Brillouin zone integral for the interstitial KKR-Green function can be evaluated accurately by taking proper care of the free-electron singularities in the integrand. The proposed method combines two recently developed methods, a supermatrix method and a subtraction method. This combination appears to provide a major improvement compared with an earlier proposal based on the subtraction method only. By this the barrier preventing the study of important interstitial-like defects, such as an electromigrating atom halfway along its jump path, can be considered as being razed. 
J.P. Dekker (1), A.Lodder (1), R. Zeller (2), A.F. Tatarchenko (3)   ((1) Vrije Universiteit, Amsterdam, The Netherlands, (2...