[Pw_forum] disentanglement in Wannier90
Hanghui Chen
chenhanghuipwscf at gmail.com
Sun Jun 23 23:52:55 CEST 2013
To whom it may concern,
I am not sure whether this is the right place to pose the question.
I have a question about Wannier90.x. I have encountered an interesting
case in which the minimization of disentanglement is not converged.
However, the code proceeds to do the Wannierization. Ironically, the
Wannier functions look fine and the band structures are well reproduced.
Now I am a little bit confused. What is the point of disentanglement?
If the minimization is not converged, can we still get good Wannier
functions?
Thank you very much.
Hanghui Chen
Department of Physics
Columbia University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130623/4344960f/attachment.html>
More information about the users
mailing list