Wannier90 exploits the real-space localisation of WFs to obtain many spectral and Fermi-surface properties at high-resolution in the Brillouin zone (so-called Wannier interpolation). Many of these properties can take advantage of multicore processors and compute clusters using MPI.Many electronic structure codes have an interface to Wannier90, including Quantum ESPRESSO, Abinit, VASP, Siesta, Wien2k, Fleur, OpenMX and GPAW; and there are several post-processing codes that are able to use the output of Wannier90 for further analysis and calculation.

Version: 3.0.0(Marconi) 3.1.0(G100)

Availability: GALILEO100, MARCONI

Target: all

Official web site: http://www.wannier.org/

Related Commands:

module load profile/chem-phys
module load autoload wannier90