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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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