[Pw_forum] Stress contraint

loc duong ding mambom1902 at yahoo.com
Tue May 18 18:02:07 CEST 2010


Dear PWscf users,

I would like to calculate the cell parameter under pressure (along z axis). I read in the manual, it can be use press option to get the target pressure but it looks along z-axis. 

How can I make a pressure target along z-axis?

 
I appreciate all your helps. 

Sincerely,
-----------------------------------------------
Loc Duong Dinh
Ms-Ph.D Student
Sungkyunkwan Advanced Institute of Nanotechnology,
Sungkyunkwan University,
Suwon, 440-746, Korea 
Email: mambom1902 at yahoo.com, ddloc at skku.edu



      
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