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Abstract
Abstract We have implemented the localized full-potential linear muffin-tin orbital (LMTO) method in real-space representation suitable for the study of noncollinear magnetism. In particular. we show (1) how to obtain a full potential localized basis-set, (2) how to construct the Hamiltonian and the overlap matrix elements, (3) the use of the recursion method to obtain the Greens function, (4) the calculation of the charge density, and (5) the solution of the Poisson equation to compute the Coulomb potential.
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