[Pw_forum] difference between molecular dynamics of PW and that of CPMD

[Lawrence Lee]

Dear sir / madam,

I am a new user of pwscf. I know that pw can do molecular dynamics. What is the difference between that and CPMD? 

Besides, do you know how to restart the run in pw.x? For example, if I have made a run of 400 steps with dt = 20 atomic time unit, but now I find it insufficient. I need the run to have 2000 steps, say. Do I have any method to proceed the run without doing it from the first step again?

Lawrence.

 _______________________________________
 YM - 離線訊息
 就算你沒有上網，你的朋友仍可以留下訊息給你，當你上網時就能立即看到，任何說話都冇走失。
 http://messenger.yahoo.com.hk
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070104/f365bc2a/attachment.html>