Am I understand correctly that you expect the K point (0 0 0.5) to transform into (-0.375 0 0.375) after unfolding? What is the size of the supercell?
Oleg > On Feb 1, 2016, at 10:32, Yongbeom Cho <jj2...@naver.com> wrote: > > Dear all, > > I want to unfold the bandstructure from K to K' in fcc > (-0.375 0 0.375) <= K > (0 0 0.5) <= K' > > Can fold2Bloch unfold this band? > > > > > Best ragards, > Yongbeom Cho > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
