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Prettyswan

木虫 (小有名气)

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虫号: 958555
注册: 2010-03-01
性别: MM
专业: 凝聚态物性 II ：电子结构

[求助] 能带图很不对劲，都是直线-折线

我的原胞

取高对称点时，参考的布里渊区

我使用的高对称点

引用回帖:

Kpoints along high symmetry lines
80  80  20       #Symmter points
Line-mode
   0.666666667    0.333333333    0.000000000 !K
   0.000000000    0.000000000    0.000000000 !G

   0.000000000    0.000000000    0.000000000 !G
   0.500000000    0.000000000    0.000000000 !M

   0.500000000    0.000000000    0.000000000 !M
   0.666666667    0.333333333    0.000000000 !K

用band-procar.f处理之后的band.dat格式是这样的：

引用回帖:

  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.00000000 -2.00000000
  0.71798636 -2.00000000
  0.71798636 -2.00000000
  0.71798636 -2.00000000
  0.71798636 -2.00000000
  0.71798636 -2.00000000
  0.71798636 -2.00000000
…………
…………

这里总共有12810行，但是几乎每80个数据都是一个点。
使用gnuplot画出来的能带是这个样

怎么回事呢？

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