[Wien] [Wien]the plot of band structure

[Michael Gurnett]

One alternative is to use xcrysden. It won't tell you the names of the k points but will will let you see the Brillouin-zone and pick point in reciprocal space that are of interest.

Mick
  ----- Original Message ----- 
  From: 陈强 
  To: wien at zeus.theochem.tuwien.ac.at 
  Sent: Wednesday, September 24, 2003 8:14 PM
  Subject: [Wien] [Wien]the plot of band structure


  Dear All

  By calcultion of band structure, I find in some directions the energy bands can not be properly plotted (both in screen or PS file). I don't think there is any bug in Wien,but a problem on choice of the high symmetry k-points. How should I avoid such case? For symmetry group I41/amd what kind of high symmetry k-points should be used in band structure?
  In some papers the Z, gamma, X, P and N for I41/amd are used, who knows their k-components?

  thanks 

  Q, Chen
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