[Wien] About K-points

swarup saha saha18swarup at gmail.com
Wed Feb 6 15:48:58 CET 2008


 Dear wien2k user,
                           In case of k mesh generation  the following
advice are given
   1) small  unit cells and metal require larger k  mesh  ( 1000 -  100,000
)
    2) large unit cells  and insulator  need  only  1 - 10 k-point

  But i don't understand this comment . What is the theoretical explanation
for this k mesh generation. If my calculation on  insulator compound  then i
have to give only 10 kpoint .   If I get  insulator for  small kpoint  but
not for larger kpoint (metal). Then my calculation is wrong. I need some
discussion  abt this kpoint generation. Any kind of suggestion is highly
expected .

 With Regards ,

Swarup Saha
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