GROUP THEORY SYMBOL
GTCluster
GTCluster[space group,radius]
constructs a spherical cluster with radius for a given space group.
DetailsDetails
- For the construction of tight-binding Hamiltonians in real space, but also in k-space, the real structure of the material is the starting point. The crystal lattice is constructed from spacegroup information. The constructed cluster is spherical. All atoms within radius are considered.
- The following options can be given:
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GOLattice {} Rescales the lattice constant GOPosition 0 Shifts the origin of the cluster construction GOTbEquivalence True Decides whether equivalent atomes should be renamed - See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica