[Pw_forum] convergence of relaxation caculation

meisam aghtar meisam_a84 at yahoo.com
Fri Aug 1 10:03:22 CEST 2008


Dear Stefano
I didn’t change any parameters and they are in default mode. I used automatic meshing BZ,1*1*8.also I have not fixed any position. in output , after 5 scf cycles the system doesn’t converge. I think if I  disrupt the position it would converge but I don’t know how I could make this system converge.  
 
Thanks for your attention.
 
M.aghtar 
Msc student, physics department of Kashan university  


      
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