DOWNLOADS

Last version (v. 2.1.1) of the code in tar-gzipped format:
- WanT-2.1.1.tar.gz (June 24 2008 Full installation) -- ChangeLog

Signbook
Even though the GPL licence does not require any registration, users of WanT are kindly invited to sign our signbook. Data will be used for internal statistics only.

New features of version 2.1:
- complete code restyling (number of executable, internal data representation, repository)
- new iotk (XML-like) interface with quantum-ESPRESSO package
- new user interface (input file formats and calculation steps)
- test suite enlarged and improved
- important performance issues addressed (e.g. different scaling for large systems)
- improved numerical stability and machine portability
- implementation of ultra-soft pseudopotentials in the calculation of Wannier functions and related quantities
- implementation of "conditioned" localization and penalty functionals in Wannier minimization
- implementation of restart procedure
- implementation of k-point summations in transport calculations
- upgraded postprocessing suite (e.g. supported fmts in plot.x) and enlarged

Previous versions of the code
- WanT-2.0.1.tar.gz (14/03/2007)
- WanT-2.0.tar.gz (09/12/2005)
- WanT-1.0.1.tar.gz (22/10/2004)
- WanT-1.0.tar.gz (27/08/2004)

INSTALLATION

Instructions on how to install the code can be found in the file docs/README.install that comes with the sources and in the manual.

At present the WanT code is implemented to work as post processing of DFT calculations done using the PWscf package, though the pw_export.x utility, directly distributed in the Quantum-Espresso v3.0.

A patch to include pw_export.x in the previous PWscf versions (v 2.1.x) is available (here) or at www.pwscf.org. In order to use this patch download, gunzip and open tar file (tar xvf iotkpatch_20Sep2005.tar) in the PP directory of PWscf and re-compile the code (make pp).

DISCLAIMER. While the developers of WanT make every effort to deliver a high quality scientific software, we do not guarantee that our codes are free from defects. Our software is provided "as is". Users are solely responsible for determining the appropriateness of using this package and assume all risks associated with the use of it, including but not limited to the risks of program errors, damage to or loss of data, programs or equipment, and unavailability or interruption of operations. Due to the limited human resources involved in the development of this software package, no support will be given to individual users for either installation or execution of the codes.
Finally, in the spirit of every open source project, any contribution from external users is welcome, encouraged and, if appropriate, will be included in future releses.

LICENCE. All the material included in this distribution is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.
These programs are distributed in the hope that they will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA.