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    Wannier90

    Wannier90

    Feb. 01, 2023

    Description

    The version 2.1.0 of Wannier90 is available on Lise and Emmy. For the document, please access: http://www.wannier.org/

    Prerequisites

    Intel MPI: 2019 or newer.

    Modules

    The module wannier90/2.1.0 makes the following executables available for use: wannier90.x and postw90.x. Also, the library libwannier.a (inside $WANNIER90_ROOT) is available, and can be linked against a desired code.

    As stated in the documentation, wannier90.x calculates the maximally-localised Wannier functions and is a serial executable. postw90.x can take the Wannier functions computed by wannier90.x and calculate several properties. postw90.x can be executed in parallel through MPI.

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