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BOLTZWANN: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis

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Wannier function

The Wannier functions are a complete set of orthogonal functions used in solid-state physics. They were introduced by Gregory Wannier in 1937. Wannier functions are the localized molecular orbitals of crystalline systems. The Wannier functions for different lattice sites in a crystal are orthogonal, allowing a convenient basis for the expansion of electron states in certain regimes. Wannier functions have found widespread use, for example, in the analysis of binding forces acting on electrons; the existence of exponentially localized Wannier functions in insulators was proved in 2006.

Electronic band structure

In solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called band gaps or forbidden bands). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules.

Tight binding

In solid-state physics, the tight-binding model (or TB model) is an approach to the calculation of electronic band structure using an approximate set of wave functions based upon superposition of wave functions for isolated atoms located at each atomic site. The method is closely related to the LCAO method (linear combination of atomic orbitals method) used in chemistry. Tight-binding models are applied to a wide variety of solids.

Interpolation

In the mathematical field of numerical analysis, interpolation is a type of estimation, a method of constructing (finding) new data points based on the range of a discrete set of known data points. In engineering and science, one often has a number of data points, obtained by sampling or experimentation, which represent the values of a function for a limited number of values of the independent variable. It is often required to interpolate; that is, estimate the value of that function for an intermediate value of the independent variable.

Linux distribution

A Linux distribution (often abbreviated as distro) is an operating system made from a software collection that includes the Linux kernel, and often a package management system. Linux users usually obtain their operating system by downloading one of the Linux distributions, which are available for a wide variety of systems ranging from embedded devices (for example, OpenWrt) and personal computers (for example, Linux Mint) to powerful supercomputers (for example, Rocks Cluster Distribution).

Linux

Linux (ˈlɪnʊks ) is a family of open-source Unix-like operating systems based on the Linux kernel, an operating system kernel first released on September 17, 1991, by Linus Torvalds. Linux is typically packaged as a Linux distribution, which includes the kernel and supporting system software and libraries, many of which are provided by the GNU Project. Many Linux distributions use the word "Linux" in their name, but the Free Software Foundation uses the name "GNU/Linux" to emphasize the use and importance of GNU software in many distributions, causing some controversy.

Operating system

An operating system (OS) is system software that manages computer hardware and software resources, and provides common services for computer programs. Time-sharing operating systems schedule tasks for efficient use of the system and may also include accounting software for cost allocation of processor time, mass storage, peripherals, and other resources.

Multivariate interpolation

In numerical analysis, multivariate interpolation is interpolation on functions of more than one variable (multivariate functions); when the variates are spatial coordinates, it is also known as spatial interpolation. The function to be interpolated is known at given points and the interpolation problem consists of yielding values at arbitrary points . Multivariate interpolation is particularly important in geostatistics, where it is used to create a digital elevation model from a set of points on the Earth's surface (for example, spot heights in a topographic survey or depths in a hydrographic survey).

Polynomial interpolation

In numerical analysis, polynomial interpolation is the interpolation of a given bivariate data set by the polynomial of lowest possible degree that passes through the points of the dataset. Given a set of n + 1 data points , with no two the same, a polynomial function is said to interpolate the data if for each . There is always a unique such polynomial, commonly given by two explicit formulas, the Lagrange polynomials and Newton polynomials.

Kylin (operating system)

Kylin () is an operating system developed by academics at the National University of Defense Technology in the People's Republic of China since 2001. It is named after the mythical beast qilin. The first versions were based on FreeBSD and were intended for use by the Chinese military and other government organizations. With version 3.0 Kylin became Linux-based, and there is a version called NeoKylin which was announced in 2010. By 2019 NeoKylin variant is compatible with more than 4,000 software and hardware products and it ships pre-installed on most computers sold in China.