is an interface program between Wien2k and Wannier90 to obtain maximally localized Wannier functions from Wien2k calculations.
is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License. In addition, we ask that you cite
J. Kuneš, R. Arita, P. Wissgott, A. Toschi, H. Ikeda, and K. Held,in any publications arising from the use of wien2wannier. For details see the file COPYING.
Comp. Phys. Commun. 181, 1888 (2010), arXiv:1004.3934
2.0.0 is included in
distribution; to use it, simply install the latest Wien2k
version. -specific documentation is included
This version introduces backward-incompatible changes in the format
case.inwplot. Several outdated options have been
for a description of the changes,
for an example), as has
converts old-style input files.
x wplot calls this script
In spin-polarized cases,
x w2w -up|-dn now expects
separate input files
For some other enhancements and bugfixes in this release, see the
included in the distribution.
For their valuable comments on past versions we thank
Marc Höppner, Hong Jiang, Okan Köksal, Gernot Kraberger, Laurence Marks, Oleg Rubel, Liang Si, Yundi Quan, Ulrich Wedig, Jiaxu Yan, Jianxin Zhu, Manuel Zingl
Questions relating to the usage of should be sent to the Wien2k mailing list. For Wannier90 and the MLWF procedure, there is a separate mailing list.
Bug reports, patches, etc. can be submitted through GitHub.