GroupTheory`

GroupTheory`

GTPlotStructure2D

GTPlotStructure2D[struc,rc]

plots a 2D structure defined by the structure file struc inside a radius rc.

Details and Options

In 3 dimensions the structure is usually presented in ball and stick form. If the structure is pure two-dimensional GTPlotStructure2D gives a better representation.
struc is a list with structural information, as used in the structure databases of GTPack.
rc is the cutoff radius for the cluster to be presented.
The following options can be given:

	Frame	False	Option of ListPlot
	GOBonds	True	Plots bonds between atoms
	GOLattice	{}	Scales the lattice constant
	GOTbEquivalence	True	Decides whether equivalent atomes should be renamed
	PlotLabel	{" "}	Option of ListPlot
	PlotStyle	Automatic	Option of ListPlot

See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 9.4

Examples

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Basic Examples (1)

First load the package:

A structure file defines the honeycomb lattice for graphene. To distinguish the two atoms in the basis names C1 and C2 are used.

Options (5)

PlotLabel, PlotStyle, and Frame are standard Mathematica options and will not be discussed here.

GOBonds (1)

The cluster is plotted without bonds

GOLattice (1)

This scales the lattice constant accordingly.

GOTbEquivalence (2)

In the following structure file for carbon the two atoms in the basis are the same.

If GOTbEquivalenceTrue, the two types of carbon atoms are not distinguished.

If GOTbEquivalenceFalse, the two types of carbon atoms are automatically distinguished.