[Pw_forum] Constraint optimization: how to fix coordination number?

m.g.p.krishna at chem.leidenuniv.nl m.g.p.krishna at chem.leidenuniv.nl
Wed Jun 15 06:22:17 CEST 2011

Dear GL Penna

Thanks for your suggestion and help. I will try, Since I have a QE  
version with PLUMED. But can you give a simple working example (QE and  
PLUMED input files) to demonstrate a simple constraint optimization  
?(because I am not very familiar with PLUMED). I am sure that it will  
be very useful for QE community.

thanks in advance

Krishna Mohan GP

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