Steps to find appropritate outer energy window for wannierization during entangements of bands in wannier90 code?

02 April 2023 0 7K Report

Dear All,

Can anyone suggest what are general steps to find outer window to get a correct wannier functions of the system?

As far as my analysis, I found that we have a appropriate definition for inner window as attached in image. [taken from the slide of Prof. G. Pizzi, a co-author of wannier90].

Do we have similar definition for outer energy window?

Any suggestions/ help will be appreciable.

thanks

Mukesh

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