Recent content by Miranda_Lucy

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...