How can it visualize hybridization of atoms in graphene in case of applying periodic-DFT, for instance with SIESTA?

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Jose Hugo Garcia

To visualize the hybridization I would say the best options is to plot the local density of state, projected band-structure ( called fat band in siesta) and the COHP and COOP curves. If you go to the utilities and locate the mprop folder, you'll have all the tools there. Regards

Muhammad Shadman

Dear Jose

Thanks so much