[Pw_forum] structure optimization

Dongdong Kang kddst2005 at yahoo.com.cn
Wed Feb 20 06:33:53 CET 2008


Dear Paolo
   
  Thank you for your answer, but I still have some questions. As you konw there are several options for ion_dynamics in input file of CP code , such as 'sd','cg','damp','verlet'. I want to know which option can implement dynamic simulation annealing. and is there option in input file to choose or change cooling rate  with nose thermostat ? 
   
  thanks 


Dongdong Kang 
National University of Defense Technology, P R China
410073, Hunan, Changsha

 		
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