[Pw_forum] Problem with BFGS

Paolo Giannozzi giannozz at nest.sns.it
Fri Jul 7 11:35:22 CEST 2006


On Friday 07 July 2006 11:16, Gabriele Sclauzero wrote:

>       from bfgs : error #         1
>       bfgs history already reset at previous step

> If the problem has not already been noticed

it hasn't

> and someone is aiming to trace and solve it, 
> I will send him/her the input and output of that run. 

please do. The mailing list has a 40Kb size limit,
so it is preferrable to put the needed files on a web 
site and send the URL

Paolo
-- 
Paolo Giannozzi             Phone:   +39/050-509876
DEMOCRITOS and SNS          Fax:     +39/050-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy



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