[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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