[Pw_forum] structure optimization

[Dongdong Kang]

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

 		
---------------------------------
 雅虎1G免费邮箱百分百防垃圾信
 雅虎助手-搜索、杀毒、防骚扰  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080220/40557046/attachment.html>