[Wien] increase of number of k-points

Lyudmila Dobysheva lyu at otf.pti.udm.ru
Thu Jul 31 17:08:08 CEST 2003


Dear WIEN-users,

When we study an elongated cell we have one k-point in z direction, and
this is a qualitatively poor situation. I believe that there may be a case
when the convergency in Nkx and Nky is achieved, while that in Nkz is not
due to this atomic character of eigen values. Increase of Nkz makes an
increase in Nkx and Nky, and Nkz=2 gives even not 8 times increase, but 13
times in my case or more. Is it possible to increase Nkz independently?

Best regards 
  Lyudmila Dobysheva 
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