Wannier90

Description

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