[Pw_forum] structure optimization

Paolo Giannozzi giannozz at nest.sns.it
Tue Feb 19 11:48:22 CET 2008

Dongdong Kang wrote:

> I'm a new user about QE. Recently I'm studying properties about some 
> small clusters,  I want to get the geometry structure of ground state 
> using dynamic simulation annealing(DSA) strategy.  Can QE implement 
> the DSA strategy ?  If yes, how can I implement this ? 

all needed ingredients are there (especially in the CP code that is
especially designed for the simulated annealing approach):
molecular dynamics and thermostats

Paolo Giannozzi, Democritos and University of Udine, Italy

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