[Wien] [SPAM?] Type klist for band plot

yulihua-wuhan yulihua-wuhan at sohu.com
Fri Dec 5 17:01:44 CET 2003


Dear wien user:

      I use xcrysden to generate the Klist for band plot, the crystal  has monoclinic base-centred strucure, but the soft show the Brilloun zone which isn't like as that in my book, and this soft alway generate the klist file which includes many line " ****** ".
      So I want to type the klist file myself, because the klist template of fcc, bcc (in the wien pack) is very simple. For example, from V(0,0,1/2) to GAMMA (0,0,0) in the Brilloun zone of monoclinic base-centred, I use following :

V           0    0    20   40  2.0
             0    0    19   40  2.0
             0    0    18   40  2.0
             0    0    17   40  2.0
             0    0    16   40  2.0
             0    0    15   40  2.0
             0    0    14   40  2.0

              ................

             0    0    7    40  2.0
             0    0    6    40  2.0
             0    0    5    40  2.0
             0    0    4    40  2.0
             0    0    3    40  2.0
             0    0    2    40  2.0
             0    0    1    40  2.0
GAMA  0    0    0    40  2.0 

My question is:
 (1) Can I do that like this?
 (2) Can I alway use 2.0 for the weight factor?

Thank you very much







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