GROUP THEORY SYMBOL
GOSort
GOSort
is an option to define if a canonical order of the output of GTAdjacencyMatrix or GTLatShells should be performed.
DetailsDetails
- During the construction of the adjacency matrix (GTAdjacencyMatrix) for a system with more than one sort of atoms interactions "A,B" but also "B,A" appear.
- To reduce effort in the following steps of the Hamiltonian the information can be recasted in alphabetical order, i.e. only names "A,B" appear.
- Typical values for GOSort in GTAdjacencyMatrix are:
-
True names of atomes are sorted in alphabetical manner False no sorting of names in interactions - Sometimes it is usefull to reorder a cluster of lattice points (GTLatShells) not in shells but only in canonical order. Such a rearrangement can be forced be GOSort.
- Typical values for GOSort in GTLatShells are:
-
True the cluster is rearranged in canonical order False the cluster is rearranged in shells - This option is used by: GTAdjacencyMatrix
GTLatShells