[Pw_forum] Constraints
yuva rani
syuva2987 at gmail.com
Mon Jun 13 08:14:43 CEST 2011
Thanks for your suggestion about ecutwfc and ecutrho. I had another
doubt to share with you.
I had relaxed two layers of aluminium atoms consisting of 112
atoms. Now, I want to stack a molecule on its surface. Inorder to
relax this, I need to use constraints. So please give me the
suggestion of using Constraint_cards and how to fix the parameters.
Also give me the example input file using constraints. Thanks in
advance.
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