[DFTB-Plus-User] The position of Fermi level calculated by DFTB+

Bálint Aradi aradi at uni-bremen.de
Thu Jun 1 10:25:13 CEST 2023


Dear Famin Yu,

> I would greatly appreciate it if anyone could advise me on how to handle 
> this situation. Thank you in advance for your help I look forward to 
> your response.

To align the Fermi energy at zero is just a convention one uses, when 
plotting band structures. If you want to apply this convention, just 
shift the data in your visualization tool accordingly.

Best regards,

Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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