[Pw_forum] Problem with BFGS

[Gabriele Sclauzero]

The files are placed at the following URL:

www.sissa.it/~sclauzer/pw/COatPtwire7Pt_rel.scf.d
www.sissa.it/~sclauzer/pw/COatPtwire7Pt_rel.scf.out

Gabriele

Paolo Giannozzi wrote:
> 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