[Pw_forum] vc-cp

Mansoureh Pashangpour mansourehp at gmail.com
Mon Sep 8 11:03:36 CEST 2008


Dear all
I used CP molecular dynamics for a metalic system.Now I want to use external
pressure on this system.I have used vc-cp instead of cp and
 &cell
cell_dynamics='pr',
press=10,
but I think its result isn't acceptable.cell temprature increased fast.
I must say that I didn't use any thermostats in my simulation.
how can I add them in &cell , &ions and &electron parts?
Thanks in advance for your help and attention
good luck
Mansoureh
IPM,Tehran,Iran
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20080908/dc743f06/attachment.html>


More information about the users mailing list