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graphene:structure_optimization [2009/12/16 10:02]
jelen
graphene:structure_optimization [2011/02/18 13:13]
127.0.0.1 external edit
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-The minimum lattice vector is 2.46 Å. After that we calculated the band structure at given high-symmetry directions. 
-To plot the band structure we generated a set of the special k-points heading from K(1/​√3,​1/​3) point to Γ(0,0) ending at M(0,2/3) stored in file C1.kgm.kpts. ​ 
  
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graphene/structure_optimization.txt · Last modified: 2015/05/28 15:51 (external edit)