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Wannier90 is 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 is 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.
Package | Summary | Distribution | Download |
wannier90-3.1.0-4.2.ppc64le.html | A library for generating maximally-localized Wannier functions | OpenSuSE Ports Tumbleweed for ppc64le | wannier90-3.1.0-4.2.ppc64le.rpm |
wannier90-3.1.0-4.2.s390x.html | A library for generating maximally-localized Wannier functions | OpenSuSE Ports Tumbleweed for s390x | wannier90-3.1.0-4.2.s390x.rpm |
wannier90-3.1.0-4.2.x86_64.html | A library for generating maximally-localized Wannier functions | OpenSuSE Tumbleweed for x86_64 | wannier90-3.1.0-4.2.x86_64.rpm |
wannier90-3.1.0-4.1.aarch64.html | A library for generating maximally-localized Wannier functions | OpenSuSE Ports Tumbleweed for aarch64 | wannier90-3.1.0-4.1.aarch64.rpm |
wannier90-3.1.0-4.1.armv6hl.html | A library for generating maximally-localized Wannier functions | OpenSuSE Ports Tumbleweed for armv6hl | wannier90-3.1.0-4.1.armv6hl.rpm |
wannier90-3.1.0-4.1.armv7hl.html | A library for generating maximally-localized Wannier functions | OpenSuSE Ports Tumbleweed for armv7hl | wannier90-3.1.0-4.1.armv7hl.rpm |
wannier90-3.1.0-4.1.i586.html | A library for generating maximally-localized Wannier functions | OpenSuSE Ports Tumbleweed for i586 | wannier90-3.1.0-4.1.i586.rpm |
wannier90-3.1.0-4.1.riscv64.html | A library for generating maximally-localized Wannier functions | OpenSuSE Ports Tumbleweed for riscv64 | wannier90-3.1.0-4.1.riscv64.rpm |
wannier90-2.0.0-9.el7.aarch64.html | Maximally-localised Wannier functions | EPEL 7 for aarch64 | wannier90-2.0.0-9.el7.aarch64.rpm |
wannier90-2.0.0-9.el7.ppc64.html | Maximally-localised Wannier functions | EPEL 7 for ppc64 | wannier90-2.0.0-9.el7.ppc64.rpm |
wannier90-2.0.0-9.el7.ppc64le.html | Maximally-localised Wannier functions | EPEL 7 for ppc64le | wannier90-2.0.0-9.el7.ppc64le.rpm |
wannier90-2.0.0-9.el7.x86_64.html | Maximally-localised Wannier functions | EPEL 7 for x86_64 | wannier90-2.0.0-9.el7.x86_64.rpm |
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