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.
- [Pw_forum] constraints raheleh vaziri
- [Pw_forum] constraints Lorenzo Paulatto
- [Pw_forum] Constraints yuva rani
- [Pw_forum] Constraints yuva rani
- [Pw_forum] Constraints [email protected]
- [Pw_forum] Constraints yuva rani
