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Wannier90 is a computational software tool designed for the efficient calculation and manipulation of maximally-localized Wannier functions (MLWFs) in condensed matter physics. It provides a versatile framework for interpolating band structures, calculating electronic properties, and studying materials’ electronic behaviors with high precision. The software is often used as a post-processing tool in conjunction with first-principles electronic structure codes like Quantum ESPRESSO, VASP, or Abinit. Wannier90 supports complex systems, including metals, insulators, and topological materials, and is compatible with both small and large-scale calculations. Its modular and open-source architecture ensures adaptability and fosters active contributions from the research community.
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Wannier90 documentation
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Official documentation
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