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research article
A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems
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.
Type
research article
Authors
Publication date
2004
Published in
Volume
121
Issue
6
Article Number
2466
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 11, 2006
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