[Wien] Hexagonal structure generation

stargmoon stargmoon at yahoo.com
Wed Apr 12 14:46:59 CEST 2006


   Dear wien2k community,
   
  Several days ago, I posted a question about k-points parallelization. I don't get any answer yet. Then I tried to figure out this question myself, I found that for small total number of k-points, there is no problem. However, when I increase the k mesh, there is always one processor never gets done, and no error messages. There is no stack limit on our machine, and I don't think it is memory problem (I am doing a small job of hexagonal TiS2). Could anybody please help me to figure out what is the possible reason for my trouble?
   
   Looking forwar to your reply!
   
   Stargmoon


		
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