GroupTheory`
GroupTheory`

GTClusterFilter

GTClusterFilter[cluster,types]

removes certain types of atoms from a given cluster.

Details and Options

  • If a cluster is constructed with GTCluster, it might be, that not all types of atoms are necessary in the construction of tight-binding Hamiltonians. GTCluster can be used to remove that are not necessary.
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, Chapter 9.4

Examples

Basic Examples  (1)

  • First load the package:

    • Choose the corresponding structure from the structure data file.

    Construct a cluster

    Remove all Zn atoms from the cluster: