[Wien] [Wien]the plot of band structure

陈强 xlwqchen at public.fhnet.cn.net
Wed Sep 24 20:14:56 CEST 2003


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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