[Pw_forum] About relaxation and cpmd

oulihui666 oulihui666 at 126.com
Tue Dec 25 10:09:17 CET 2007


Dear all,
    I have a naive problem, and need your help. I have not understanded this problem 
for a long time, etc. the difference between relaxation and molecular dynamics(cpmd), I 
think that there is many steps in the process of relaxation, and every step denotes 
a intermediate, however, It also contains many intermediate in molecular dynamics 
simulation, I do not understand the difference between relxation and molecular 
dynamics(cpmd) at all times. Anyone who would give suggestion will be appreciated.
    Thanks in advance
    Lihui Ou
 

--

======================================
Lihui Ou
PH.D Candidate in Electrochemistry                      
College of Chemistry and Molecular Science            
Wuhan University,430072,Hubei Province,China 
E-mail:oulihui666 at 126.com
======================================
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20071225/87a10d67/attachment.html>


More information about the users mailing list