[DFTB-Plus-User] Absolute k-points for KLines

[Bálint Aradi]

Dear Anshu,

On 20.05.19 04:26, Anshu Gaur wrote:
> My mistake.
> 
> I get as absolute k-points is (1/2a 0 0) in bohr-1 for X. So,
> multiplying with 2pi should give the actual absolute value in bohr-1. Is
> this correct?

That is correct, the absolute values in the output do not contain the
2pi factor.

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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