QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Rajib on January 12, 2011, 01:31
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Dear All,
I would like to know about the possibility of modelling of graphAne (fully or partly passivated hydrogen) using custom builder in ATK 2010.8.
Advance thanks in any feedback.
Rajib
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Once the pure graphene is created using the "Custom builder", one can easily add the passivated hydrogen atoms on the top of selective carbon atoms in a manual manner, and then optimize the atomic coordinates.