is an interface program between Wien2k and Wannier90 to obtain maximally localized Wannier functions from Wien2k calculations.
License
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
News
2.0.0 is included in
the WIEN2k_16.1
distribution; to use it, simply install the latest Wien2k
version. -specific documentation is included
in SRC_w2w/.
This version introduces backward-incompatible changes in the format
of case.inwplot. Several outdated options have been
removed
(see NEWS
for a description of the changes,
and SRC_templates/case.inwplot
for an example), as has write_inwplot.
The new
script checkinwplot
converts old-style input files. x wplot calls this script
automatically.
In spin-polarized cases, x w2w -up|-dn now expects
separate input files case.inwfup
and case.inwfdn.
For some other enhancements and bugfixes in this release, see the
file NEWS
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
Contact
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.