Unfolding of first-principle electronic band structure
Fortran Matlab C
Switch branches/tags
Nothing to show
Clone or download
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Failed to load latest commit information.
Tutorials Add files via upload May 20, 2016
Utils fix G-matrix transpose Jun 22, 2016
.gitignore Update .gitignore May 8, 2014
README.md Update README.md May 20, 2014
fetcharg.h Upload files May 7, 2014
fold2Bloch.F90 Update fold2Bloch.F90 Jun 22, 2017
util.F Upload files May 7, 2014

README.md

fold2Bloch

Unfolding of first-principle electronic band structure obtained with WIEN2k DFT-(L)APW code

Contributors:

  • Anton Bokhanchuk
  • Elias Assmann
  • Sheikh Jamil Ahmed
  • Oleg Rubel

For installation and tutorials, please refer to wiki page

Examples of "real life" applications can be found in arXiv:1405.4218

Please communicate your feedback, support or feature requests via WIEN2k mailing list