[SIESTA-L] how to set the ensemble for the MD simulation in siesta

Wed, 06 Jan 2010 17:59:05 -0800 

Hi, all
       I want to perform the ab initio molecular dynamics in siesta, but i 
can't find how to set the parameters for the ensmeble in the Siesta-Uer's Guide.
Who can tell me how to set the parameters for the ensemble in the MD 
simulations. 
Thanks in advances....
                                            
                                               liangcai
2010-01-07 



csucai

Responder a