Eine auf Fouriermethoden basierende Lückensuchfunktion

A function for finding the voids in a crystal structure by means of a single Fourier synthesis is described. The function handles the atoms as spheres with known radius and supplies, for each grid point of the Fourier map, the volumetric fraction of the search atom centered at this point that interpenetrates the neighbouring atoms. In this way, the time-consuming calculation of distances is avoided. Its application to a solid-state ionic conductor is shown.