[Pw_forum] local and global minimums in relaxation

[Sergey]

I see..
Thank you!

Sergey

On 12/21/2012 3:47 PM, Paolo Giannozzi wrote:
> On Dec 21, 2012, at 20:01 , Sergey wrote:
>
>> when I do relaxation (using bfgs algorithm), I end up with the
>> system in
>> one of the minimums. It can be local one or it can be global one. And
>> there is probably several other possible local minimums in the system.
>> How can I publish such a result? As I see in the papers no one usually
>> describe this issue. Usually it is just - 'we performed structural
>> optimization (relaxation) and here is the result.'
>>
>> How to deal with this matter?
> if you find a better way to deal with this matter, your future career is
> guaranteed. It is a well-known problem. That's way smart people
> have invented simulating annealing, genetic algorithms,
> metadynamics, ...
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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