Two subroutines for calculating lattice sums and the distortion field due to a point force in hexagonal systems

Abstract

The subroutines ARRANGE and DISPL contained in HEXALAT have been developed for application of solid state theory to hexagonal crystals, in particular to the hexagonal closed packed (hcp) structures. ARRANGE generates the coordinates of a roughly estispherical arrangement of atoms which occupy regular sites of an hcp structure, and thus provides a means for calculating lattice sums very easily.