[DFTB-Plus-User] how to set the value of the Temperature [Kelvin] of Filling = Fermi {}.

[Bálint Aradi]

Dear Jiang,

> In the tutorial courses, it sets Filling = Fermi {Temperature [Kelvin] =
> 100} as the graphene is metallic. For hexagonal boron nitride, how can I
> set the value of the Temperature [Kelvin]  of   Filling = Fermi {}?

As long, as you do not have any defects in it, you can leave the
settings away, which is equivalent to set it to 0 Kelvin.

  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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