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Bandstructure of Commensurate supercells for rotated graphene layers
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bfazi
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Bandstructure of Commensurate supercells for rotated graphene layers
«
on:
December 27, 2016, 21:04 »
Hi,
I have followed the following instruction:
http://docs.quantumwise.com/tutorials/rotated_graphene_layers/rotated_graphene_layers.html
to build a three rotated layers of graphene. I want to calculate the bandstructure of this structure but the lattice type of structure is "UnitCell" so that I can not calculate the bandstructure at K point. Because this point is valid only for Hexagonal type. Is there any solution?
Thanks
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Anders Blom
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Re: Bandstructure of Commensurate supercells for rotated graphene layers
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Reply #1 on:
December 28, 2016, 00:13 »
As long as the cell still actually has a hexagonal shape, just use the Bulk tools>Lattice parameters widget to change the lattice type to Hexagonal.
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Anders Blom
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Re: Bandstructure of Commensurate supercells for rotated graphene layers
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Reply #2 on:
December 28, 2016, 18:41 »
Try converting with "Fractional coordinates" kept fixed
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Bandstructure of Commensurate supercells for rotated graphene layers