Interpolated band-structure models and integration schemes

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Abstract
A method of calculating Brillouin-zone integrals is proposed, which is based on the use of model-Hamiltonian interpolation schemes to generate energy bands and the Hellman-Feynman theorem to generate energy gradients. Since the method does not make use of quadratic interpolation, a direct comparison can be made between the results of electronic density of states calculations done with and without the use of quadratic interpolation. An illustrative comparison between the two types of calculations is presented for the case of niobium.