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Calculates A program that calculates maximally-localised Wannier functions. |
Description
The version 2.1.0 of Wannier90 is available on Lise and Emmy. For the document, please access: http://www.wannier.org/
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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 used to link linked against a desired code.
Note that wannier90/2.1.0 has been compiled with MPI support. As stated by in the developersdocumentation, the code is paralellised over k-points.
Example Jobscripts
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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.