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 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
