[Pw_forum] error in relaxation

Paolo Giannozzi giannozz at nest.sns.it
Mon Mar 24 19:02:00 CET 2008


On Monday 24 March 2008 04:36, madhura at jncasr.ac.in wrote:

> But may I know what was that bug about?

I think it is this one:
http://www.democritos.it:8888/O-sesame/chngview?cn=5643  
http://www.democritos.it:8888/O-sesame/chngview?cn=5649
but I am not sure.

> Also just for one system if I use different version what about the
> numerical errors introduced? Can I compare the data without worrying about
> that/

numerical differences between different versions should not be
significant

Paolo
-- 
Paolo Giannozzi, Democritos and Udine University 


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