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add one example about the twisted bilayer graphene
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quanshengwu committed May 16, 2022
1 parent f6ff501 commit 01804f1
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2 changes: 1 addition & 1 deletion examples/TBG-13.2degree/wt.in
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!> bulk band structure calculation flag
&CONTROL
QPI_Unfold_plane_calc = T
QPI_Unfold_plane_calc = F
BulkBand_Unfold_line_calc = T
/

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252 changes: 252 additions & 0 deletions examples/TBG-7.34degree/POSCAR-relaxed
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! Twisted 2 layerstheta= 7.340993 degree.
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