Dear Damien, this certainly is possible to do, for example by adding another honeycomb lattice for these hydrogen atoms. However, how to do this really depends on how you want to implement the physics in a tight-binding model - remember, you have to specify the values of onsite energies and hoppings yourself. Kwant only provides the infrastructure for doing it. If you would like some more specific advice on how to do the technical implementation, you should add some more information on how the tight-binding model with hydrogen looks like. Best, Michael On 02.06.2014 09:53, Cabosart Damien wrote:
Dear all,
Here is my question : Can we add an adatom to our graphene lattice using the kwant package? (For example, to get hydrogenated graphene with different hydrogen coverage)
Thank you in advance for your help. Best regards,
D. Cabosart