How to apply the external pressure?

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
zhuanghl
Newbie
Newbie
Posts: 31
Joined: Thu Dec 08, 2005 2:15 pm
License Nr.: 471

How to apply the external pressure?

#1 Post by zhuanghl » Sun Feb 19, 2006 2:39 pm

Well,I want to model the system in an external pressure with specified value.I do not know whether it is possible and how to realise it?
Many thanks!
Last edited by zhuanghl on Sun Feb 19, 2006 2:39 pm, edited 1 time in total.

Veronika
Jr. Member
Jr. Member
Posts: 70
Joined: Wed Feb 02, 2005 4:14 pm

How to apply the external pressure?

#2 Post by Veronika » Mon Feb 20, 2006 8:39 am

Read section http://cms.mpi.univie.ac.at/vasp/vasp/node196.html in the manual and set PSTRESS according to your requirements.

<span class='smallblacktext'>[ Edited Mon Feb 20 2006, 09:39AM ]</span>
Last edited by Veronika on Mon Feb 20, 2006 8:39 am, edited 1 time in total.

Post Reply