Wannier90: A tool for obtaining maximally-localised Wannier functions
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Abstract: 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 real space. This done in the space of unitary matrices that describe rotations of the Bloch bands at each k-point. As a result, Wannier90 is independent of the basis set used in the underlying calculation to obtain the Bloch states. Therefore, it may be interfaced straightforwardly to any electronic structure code. The locality of MLWF can be exploited to compute band-structure, density of states and Fermi surfaces at modest computational cost. Furthermore, Wannier90 is able to output MLWF for visualisation and other post-processing purposes. Wannier functions are already used in a wide variety of applications. These include analysis of chemical bonding in real space; calculation of dielectric properties via the modern theory of polarisation; and as an accurate and minimal basis set in the construction of model Hamiltonians for large-scale systems, in linear-scaling quantum Monte Carlo calculations, and for efficient computation of material properties, such as the anomalous Hall coefficient. Wannier90 is freely available under the GNU General Public License from http://www.wannier.org/
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Cites work
Cited in
(33)- Compression of Wannier functions into Gaussian-type orbitals
- On Parseval frames of exponentially decaying composite Wannier functions
- \textsc{epi}\(q\): an open-source software for the calculation of electron-phonon interaction related properties
- Automatic, high-order, and adaptive algorithms for Brillouin zone integration
- MagneticTB: a package for tight-binding model of magnetic and non-magnetic materials
- PYATB: an efficient python package for electronic structure calculations using ab initio tight-binding model
- Interface tool from Wannier90 to RESPACK: \texttt{wan2respack}
- RESPACK: an \textit{ab initio} tool for derivation of effective low-energy model of material
- An updated version of wannier90: a tool for obtaining maximally-localised Wannier functions
- Helmholtz Fermi surface harmonics: an efficient approach for treating anisotropic problems involving Fermi surface integrals
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- \texttt{Wien2wannier}: from linearized augmented plane waves to maximally localized Wannier functions
- \textsc{BoltzWann}: a code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
- WannSymm: a symmetry analysis code for Wannier orbitals
- Wannier90
- Bound States In and Out of the Continuum in Nanoribbons with Wider Sections: A Novel Algorithm based on the Recursive S‐Matrix Method
- woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement
- A sparse decomposition of low rank symmetric positive semidefinite matrices
- Realization of Z2 Topological Metal in Single‐Crystalline Nickel Deficient NiV2Se4
- EPW: a program for calculating the electron-phonon coupling using maximally localized Wannier functions
- Understanding the Band Engineering in Mg2Si‐Based Systems from Wannier‐Orbital Analysis
- Localised Wannier functions in metallic systems
- Computing localized representations of the Kohn-Sham subspace via randomization and refinement
- Disentanglement via Entanglement: A Unified Method for Wannier Localization
- A non-iterative method for vertex corrections of the Kubo formula for electric conductivity
- DiracBilinears.jl: a package for computing Dirac bilinears in solids
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
- \texttt{WannierTools}: an open-source software package for novel topological materials
- Numerical construction of Wannier functions through homotopy
- Construction of maximally-localized Wannier functions using crystal symmetry
- Spin -- orbit coupling, minimal model and potential Cooper-pairing from repulsion in BiS\(_2\)-superconductors
- ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems
- WanTiBEXOS: a Wannier based tight binding code for electronic band structure, excitonic and optoelectronic properties of solids
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