Credits

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Developers

The development and maintenance of the WanT code is promoted by:


The present release of the WanT package has been realized by:

  • Andrea Ferretti (CNR-NANO),
  • Luis A. Agapito (Uni North Texas),
  • Arrigo Calzolari (CNR-NANO),
  • Marco Buongiorno Nardelli (Uni North Texas).

For a full list of developers and contributors, see the file ~want/docs/CREDITS.


Acknowledgments:

  • The routines for the calculation of the maximally-localized Wannier functions were originally written by: Nicola Marzari and David Vanderbilt (©1997); Ivo Souza, Nicola Marzari and David Vanderbilt (©2002); Arrigo Calzolari, Nicola Marzari, and Marco Buongiorno Nardelli (©2003).
  • The routines for the calculation of the quantum conductance were originally written by: Marco Buongiorno Nardelli (©1998); Arrigo Calzolari, Nicola Marzari, and Marco Buongiorno Nardelli (©2003).
  • The iotk library is written and maintained by Giovanni Bussi (©2002).
  • The WanT logo has been designed by Andrea Benassi.

Terms of Use

Although users are not under any obligation in the spirit of the GNU General Public Licence, the developers of WanT would appreciate the acknowledgment of the effort to produce such codes in the form of the following reference:

In the text: "The results of this work have been obtained using the WanT package.[ref]"
In references: "[ref] WanT code by A. Ferretti, B. Bonferroni, A. Calzolari, and M. Buongiorno Nardelli, (http://www.wannier-transport.org).
See also: A. Calzolari, N. Marzari, I. Souza and M. Buongiorno Nardelli, Phys. Rev. B 69, 035108 (2004)."


If only specific parts of the package are used, we suggest to quote the following references:

  1. Calculation of maximally-localized Wannier functions:
  2. Ultrasoft pseudopotential implementation:
  3. Calculation of quantum conductance:

The original release of the quantum conductance code (DOSQC v.1.0) can be downloaded here.


Acknowledgements

This work has been supported in part by: the Mathematical, Information and Computational Sciences Division, Office of Advanced Scientific Computing Research of the U.S. Department of Energy under contract No. DE-AC05-00OR22725 with UT-Battelle; the Petroleum Research Fund of the American Chemical Society; the U.S. Department of Energy through the grant "Integrated Multiscale Modeling of Molecular Computing Devices"; MIUR (Italy) through grant FIRB-Nomade.