[Wannier] On the symmetry-adapted Wannier projections for entangled systems

Hugo Aramberri hugo.aramberridelvigo at csun.edu
Tue May 15 23:36:06 CEST 2018


Dear all,

I am using Quantum-Espresso v6.2 together with wannier90 v2.1.0. I would 
like to use the symmetry-adapted projection scheme, but as stated in the 
manual, it cannot be used together with the frozen energy window for the 
disentanglement procedure. Any ideas/tips on how to disentangle bands 
without the aid of the frozen energy window?

I have tried varying the number of bands included the calculation, and 
independently, changing the disentanglement window (dis_win_min and 
dis_win_max values) but with no success.




Also, is there any plan to include this feature (symmetry-adapted 
Wannier together with frozen energy window) in a future version of 
wannier90, as suggested by the following error message I encountered?

"in symmetry-adapted mode, frozen window not implemented *yet*"




Thank you in advance.

Regards,


Hugo Aramberri

Postdoc @ Physics and Astronomy Department, California State University, 
Northridge

Personal Website: http://sites.google.com/site/hugoaramberri

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