Questions and Answers

0 Like

raseong kim

bulk bandstructure: k-axis scale

It seems that the bulk bandstructure shows E-k along L->Gamma->X->UK->Gamma. If so, the k-scale does not seem to be correct. The distance between Gamma and X appear to be correct (2pi/a0), but the distance between L and Gamma, which should be sqrt(3)/2 times of that between Gamma and X (sqrt(3)/2*2pi/a0~1.73pi/a0), appears to be much shorter in the plot. The discance between K and Gamma also appear to be a little shorter than expected.

Report abuse

Chosen Answer

  1. 0 Dislike

    Abhijeet Paul

    Thanks for pointing that out. Will take a look at that. This should be a small bug in the scaling of the length of the kvector. Also the slight mismatch can come from the delK used to discritize the K-vector.

    Reply Report abuse

    Please login to answer the question.

1 Responses

  1. 0 Like 0 Dislike

    Benjamin P Haley

    We will look into this. Thanks for the info!

    Reply Report abuse

    Please login to answer the question.