It seems like shifting of origin in 2 C atoms hexagonal cell to 6 C atoms monoclinik cell. Please correct me if I am wrong.
On Mon, Mar 27, 2023, 22:50 shamik chakrabarti <shamik15041...@gmail.com> wrote: > Dear Wien2k users, > > I am asking a basic question, which I am not > able to solve till now by Lit.. survey. I have simulated Graphene with > Primitive space group having the same structure of hexagonal Graphene to > have more freedom over C inequivalent atoms for studying the effect of > doping. However, during band structure plot I am obtained Dirac cone at > high symmetry point Gamma & not at K point in which a hexagonal lattice > structure exhibits Dirac points. > > Please comment on this. Looking forward to listening from you. > > with regards, . > > -- > Dr. Shamik Chakrabarti > Research Fellow > Department of Physics > Indian Institute of Technology Patna > Bihta-801103 > Patna > Bihar, India >
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