[Pw_forum] relaxating only z coordinate?

Manoj Srivastava manoj at phys.ufl.edu
Wed Sep 23 23:50:22 CEST 2009


Dear PWSCF users, 
 This might have been answered previously, but I was unable to find
it. How can one relax only z coordinate of atoms inside unit cell using
PW? In other words how can I constrain x and y coordinates of atoms during
relaxation?
 

Regards, 
Manoj Srivastava
University of Florida 
Gainesville, FL 




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