[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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