Wannier90 installations at NSC


Directory list:

VersionDescription
1.2 Version 1.2 (2010-01-14)
2.0.0 Version 2.0 (2013-10-14)

Level of support

Tier 3 NSC will not be able to help you much with this program, either because we lack the in-house experience, or because it is a test installation. In general, these types of installations are untested, and will not be updated unless you send a request to NSC.

Please see the page describing our software support categories for more information.
You can also contact support@nsc.liu.se for further information.

The Wannier90 installations are generally maintained by Peter Larsson.

About

Wannier90 is a program to maximally-localised Wannier functions (MLWFs). There are interfaces to the following electronic structure codes: Quantum Espresso, Abinit, SIESTA, FLEUR, Wien2k, VASP. We have specially compiled VASP versions with Wannier90 integration (please see the VASP README.NSC files or the web documentation to find out which ones).

How to run

Load the wannier90 module. This will put the wannier90.x and postwf90.x executables in your $PATH.

module load wannier90/2.0.0
wannier90.x [input]

Paper citation

Users of Wannier90 are requested to cite:

Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
A. A. Mostofi, J. R. Yates, Y.-S. Lee, I. Souza, D. Vanderbilt and N. Marzari
Comput. Phys. Commun. 178, 685 (2008)

in all publications using results from the program.