[Wannier] Question on localization of WF

elchatz at auth.gr elchatz at auth.gr
Wed Jan 24 19:11:38 CET 2018


Hello all,

I would like some clarification on the localization of WFs.

I have calculated bulk transport using Wannier90, however, the Im/Re  
ratio of the WFs is on the order of 1e-2 to 1e-3. How can I know if  
the conductance results are "accurate"?

Would it suffice for the WFs spread to be smaller than the volume of  
the unit cell?



-- 
Dr. Eleni Chatzikyriakou
Computational Physics lab
Aristotle University of Thessaloniki
elchatz at auth.gr - tel:+30 2310 998109




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