Abstract
A fast and simple method for calculating the electrostatic potential of an electrically neutral lattice of point charges has been developed. It is applicable to orthogonal and non-orthogonal unit cells with the rate of convergence independent of the degree of non-orthogonality. Results from the method has been compared to values obtained from the Ewald method with good agreement obtained for a number of structures including ZnS, CsCl, NaCl, CaF 2, Rutile and a general triclinic lattice.
Published Version
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