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QuantumATK => General Questions and Answers => Topic started by: David1986 on January 23, 2018, 19:31

Title: graphene bandstructure
Post by: David1986 on January 23, 2018, 19:31

hi
I flow this topic:
http://quantumwise.com/documents/tutorials/latest/BasicGrapheneTutorial/index.html/chap.graphene_bandstructure.html
and calculate the band structure, but when I repeat the structure in a and b direction unfortunately the results are wrong. 

Title: Re: graphene bandstructure
Post by: Petr Khomyakov on January 24, 2018, 09:27

What do you mean by "results are wrong"? When you create a supercell the band structure is supposed to get folded, i.e., the Brillouin zone shrinks and the bands are folded accordingly.

Note that there are more up-to-date tutorials on graphene and other 2D materials in our docs https://docs.quantumwise.com/tutorials/2d_materials.html.