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Wannier90 is an open-source software package for generating maximally-
localized Wannier functions (MLWFs) and utilizing them to calculate
advanced electronic properties of materials with high efficiency and
accuracy. It is widely used in computational materials science and
interfaced with numerous popular electronic structure codes such as
Quantum ESPRESSO, ABINIT, VASP, and Siesta.
The program exploits the real-space localization of MLWFs for efficient
Wannier interpolation of spectral and Fermi-surface properties. Its
applications include calculating electronic band structures, densities
of states, Fermi surfaces, and various transport properties. Wannier90
also supports advanced functionalities like symmetry-adapted MLWFs,
calculation of shift currents, and Berry-curvature dipole, making it a
versatile tool for analyzing chemical bonding, dielectric properties,
and topological features in materials.
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