Latest stable release (5 March 2020): Wannier90 (v3.1.0) [gzipped-tar]
Please note that:
- Wannier90 is released under the GNU General Public License (v2)
- A summary of improvements may be found in CHANGE.log
- Installation instructions may be found in README.install
- The latest User Guide and Tutorial may be found here. They may also be found in the ‘doc’ directory of the current distribution.
For developers (GitHub)
Electronic Structure Codes
Wannier90 should be used in conjunction with an electronic structure code for calculating the eigenstates of the Hamiltonian operator. Currently, as far as we are aware, the following electronic structure codes interface to Wannier90:
- Quantum ESPRESSO (PWscf) – stable versions of the interface to Wannier90 are available in the ‘pwscf’ directory of the distribution
- Wien2k – using the wien2wannier interface
- VASP – details can be found in the vasp manual
- GPAW – see this tutorial
- pySCF – using the pyWannier90 interface
Additional packages interfaced to Wannier90
- EPW – An open-source F90/MPI code which calculates properties related to the electron-phonon interaction using density-functional perturbation theory (DFPT) and maximally-localised Wannier functions.
- Gollum – A program written in Matlab that computes the electrical and thermal transport properties of multi-terminal nano-scale systems. The program can compute transport properties of either user-defined systems described by a tight-binding (or Huckel) Hamiltonian, or more material-specific properties of systems composed of real atoms described by DFT Hamiltonians.
- NanoTCAD ViDES – An open-source Python code for simulating nanoscale devices through the self-consistent solution of the Poisson and the Schrodinger equations by means of the non-equilibrium Green’s function (NEGF) formalism.
- Z2Pack – A tool for calculating topological invariants. The method is based on tracking the evolution of hybrid Wannier functions, which is equivalent to the computation of the Wilson loop.
- WannierTools – An open-source software package for novel topological materials.
- Sisl – An API for manipulating, constructing and creating tight-binding matrices in a standard and uniform way, which also provides an interface to the TBtrans code for large-scale NEGF transport calculations.
- WannierBerri is a Python code for Wannier interpolation and tight-binding calculations of bandstructure, Berry curvature, orbital moment, as well as evaluating the Brillouin zone integrals (e.g., anomalous Hall effect). It is an alternative to postw90.x and features performance improvements and additional functionality.
- TBmodels is a Python library to read, evaluate and modify bulk tight-binding models. Tight-binding models created by Wannier90 can be converted into a compressed storage format, and the k-dependent Hamiltonian can be efficiently evaluated. Models can be symmetrized, converted into supercell models, or converted into a k.p form amongst other modification routines. Besides Wannier90, TBmodels provides interfaces to Z2Pack and kwant.
- TB2J is an open source package to calculate the parameters of a generalized Heisenberg model to DFT, through a Wannier-function-based Green’s function formalism. Included are the isotropic and anisotropic exchange, and DMI, which are efficiently extracted from a small number of DFT ground state calculations in the unit cell. The output of TB2J can be used in Monte Carlo or LLG calculations with several widely used spin dynamics suites.
The following programs should be installed to visualise the output of Wannier90:
- gnuplot is used to plot band structures. It is available for many operating systems and is often installed on unix/Linux distributions by default
- XCrySDen is used to visualise crystal and molecular structures, Wannier functions and Fermi surfaces. It is available for Unix/Linux, Windows (using cygwin) and OSX. To correctly display files from Wannier90, use XCrySDen version 1.4 or later.
- VESTA is another program that can be used to visualise structures and Wannier functions, in particular when outputted in Gaussian cube format.
MLWFs and the LAPW formalism
Technical notes on the calculation of MLWF within the LAPW formalism are now available, courtesy of Prof. Michel Posternak [PDF].
Older versions of Wannier90
- Wannier90 (v3.0.0), released 27 February 2019: [gzipped-tar]
- Wannier90 (v2.1.0), released 13 January 2017: [gzipped-tar]
- Wannier90 (v2.0.1), released 2 April 2015: [gzipped-tar]
- Wannier90 (v2.0), released 2 October 2013: [gzipped-tar]
- Wannier90 (v1.2), released 15 January 2010: [gzipped-tar]
- Wannier90 (v1.1), released 21 December 2007: [gzipped-tar]
- Wannier90 (v1.0.2), released 4 December 2006: [gzipped-tar]
- Wannier90 (v1.0.1), released 17 May 2006: [gzipped-tar]
- Wannier90 (v1.0), released 30 April 2006: [gzipped-tar]