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On the Numerical Calculation of the Density of States and Related Properties

✍ Scribed by G. Lehmann; M. Taut


Publisher
John Wiley and Sons
Year
1972
Tongue
English
Weight
442 KB
Volume
54
Category
Article
ISSN
0370-1972

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✦ Synopsis


Abstract

A method is given for the numerical calculation of energy surface integrals within the Brillouin zone like density of states, conductivity, susceptibility, dielectric function etc. The Brillouin zone is divided into tetrahedrons in which the integrand is interpolated linearly. In this way the integration can be done analytically avoiding the histogram method. Several similar methods are discussed with regard to the quotient of accuracy and effort.


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