[Pw_forum] SCF output information when testing espresso4.0cvs3

Paolo Giannozzi giannozz at nest.sns.it
Tue Apr 29 10:42:40 CEST 2008


Stefano Baroni wrote:

>>
>>>     conv_thr =  1.0d-2
>>
>> too small for meaningful results
> 
> you mean "too large", Paolo, don't you?

definitely!

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


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