BOLTZWANN: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
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The sampling and interpolation of a sound field in two and three dimensions along a circle is discussed. The Fourier domain representation of the sound field is used, and an angular sampling theorem is developed for the sampling of the sound field along a ...
We present wannier90, a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands. The formalism works by minimising the total spread of the MLWF in re ...
Electronic properties of ternary skutterudites AX(3/2)Y(3/2) (A=Co, X=Ge, Sn and Y=S, Te) are investigated using first principles calculations to clarify recent experimental results. Band derivatives are computed accurately within an approach based on Maxi ...
We present a theoretical study of the anisotropy and collection angle dependence of the oxygen K ELNES in V2O5. Ab initio bandstructure calculations were performed with WIEN97, a program package based on the full potential linearised augmented plane waves ...
This paper proposes a new method for reconstruction of star-shaped 3D surfaces from scattered datasets, where such surfaces are considered as signals living in the space of square integrable functions on the unit sphere. We first propose a generalization o ...
This paper presents a method for admission control and request scheduling for multiply-tiered e-commerce Web sites, achieving both stable behavior during overload and improved response times. Our method externally observes execution costs of requests onlin ...
Method of interpolating digital samples (fN, fn) using interpolation functions ( psi , psi (x-x0)) that are shifted by an arbitrary shift value (x0) relative to said samples (fN, fn). It will be shown that there is a non-zero and non-trivial optimal value ...
We present a novel method to trace the propagation of intrusions or malicious code in networked systems. Our solution is aimed at large numbers of loosely managed workstations typical of a research environment as found in CERN. The system tags events which ...
We present a method for obtaining well-localized Wannier-like functions (WF's) for energy bands that are attached to or mixed with other bands. The present scheme removes the limitation of the usual maximally localized WF's method [N. Marzari and D. Vander ...
The E* algorithm is a path planning method capable of dynamic replanning and user-configurable path cost interpolation, it results in more appropriate paths during gradient descent. The underlying formulation is based on interpreting navigation functions a ...