[Pw_forum] Very long time of computation

[Paolo Giannozzi]

On Monday 17 October 2005 09:54, Jun-jun Yang wrote:

> Why the two KPOINTS settings result in different consequences?

they don't. If you are ABSOLUTELY sure that the same calculation,
done with 
   K_POINTS Gamma
and done with
   K_POINTS 
   1
   0.0 0.0 0.0 0 0 0 
or
   K_POINTS (auto)
   1 1 1 0 0 0 
yields different results (one set of results meaningful and one set 
not: both sets meaningless is another story), please provide a test job

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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