INTRODUCTION
To learn more about wannier functions click on the following link:
https://en.wikipedia.org/wiki/Wannier_function
You can check this video:
//==========================\\ || || || The Wien2Wannier Package || || || \\==========================// Wien2Wannier is an interface program between Wien2k and Wannier90 to obtain maximally localized Wannier functions from Wien2k calculations. In any published papers arising from the use of Wien2Wannier, please cite: J. Kuneš, R. Arita, P. Wissgott, A. Toschi, H. Ikeda, K. Held, Comp. Phys. Commun. 181, 1888 (2010) If you use additional codes to process wien2wannier output, such as Wannier90 or BerryPI, do not forget to cite the appropriate papers as well. For wien2wannier updates and further information, see <https://wien2wannier.github.io> Questions relating to the usage of wien2wannier should be sent to the Wien2k mailing list <http://www.wien2k.at/reg_user/mailing_list/>. As regards Wannier90 and the MLWF procedure, there is a mailing list at <http://www.wannier.org/forum.html>. Finally, bug reports, feature requests, etc. can be submitted at <https://github.com/wien2wannier/wien2wannier/issues>. Installation ************ If this version of wien2wannier came with your Wien2k distribution, it will be configured and compiled automatically by `siteconfig'. If you wish to upgrade wien2wannier, see the file INSTALL for installation instructions. To construct maximally localized Wannier functions, your will need the Wannier90 program, available from <http://wannier.org>. In order to use the two together, Wannier90 should be compiled with the same compiler and options as Wien2k. License ******* Wien2Wannier 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 3 of the License, or (at your option) any later version. See the file COPYING for details. Wien2Wannier is distributed in the hope that it 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 Wien2Wannier. If not, see <http://www.gnu.org/licenses/>. -----===:===----- No k-points were harmed during the making of this software.
Reference: https://github.com/wien2wannier/wien2wannier
1 Comments
Hi all, I hope you can help me with this:
ReplyDeleteI am working with wien2wannier to obtain Wannier functions from wien2k calculations, but I am struggling to define the energy window needed for the init_w2w.
The outputfind file shows emin = -999.00 eV, emax = 999.00 eV, and efermi = 0.6124 Ry. However, when I use these values, I receive the following error message:
findbands -all [-999.0 999.0]
../x_lapw: No match.