[Pw_forum] Problem with BFGS

[Paolo Giannozzi]

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
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