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A finite-temp. linear tetrahedron method for electronic structure calcns. of periodic systems is developed. When compared to widely used simple temp. broadening, the no. of k points necessary for accurate integration at finite temps. is reduced. The utility of the method is demonstrated with benchmark calcns. on 1D, 2D, and 3D systems.
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Ardemis Anoush Boghossian, Sayyed Hashem Sajjadi, Yahya Rabbani, Shang-Jung Wu, Vitalijs Zubkovs