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

Bálint Aradi aradi at uni-bremen.de
Tue May 21 08:15:50 CEST 2019

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,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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