[Pw_forum] How to set the ensemble when doing molecule dynamics calculation with pw.x

[Lu Yunhao]

Dear All

 

Can the pw.x code do molecule dynamic calculation with NVE ensemble?

I search the Manu and can not find any descriptions about ensemble.

 

Best wishes,

Yunhao

Resear Fellow

NUS

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090606/a3821fcf/attachment.html>