Hi，thank you very much. but I am still confused about the coordinate.
Can you give me an example? Someone said we should choose the symmetry points---special K point. How can we find the highly symmetry point.
Thank you very much
Yours,
Lucy
Hi, all,
I want to calculate the band structure and there is example such like that:
BandLinesScale pi/a
%block BandLines # These are comments
1 0.000 0.000 0.000 \Gamma # Begin at Gamma
50 2.000 0.000 0.000 X # 25 points from Gamma to X
20 2.000...