GROUP THEORY SYMBOL

GTBZMPBPointMesh

GTBZMPBPointMesh[file,k-points,basis]
exports a k-mesh for use in MPB input files. basis is the reciprocal basis used in the MPB calculation.

Details Details

It is possible to calculate the density of states by means of GTDensityOfStatesPlot from band structure data calculated with MPB. The corresponding k-mesh is generated by means of GTBZPointMesh. This data set is exported in a form that can be used in the control files of MPB.
Be careful with the units of k-points in GTPack and MPB. Note, in GTBZPointMesh the k-points are generated related to Cartesian unit vectors. MPB relates the k-vectors to the reciprocal basis vectors. GTBZMPBPointMesh takes care to recalculate the k-points.

The following option can be given:
GOVerbose True Controls the output of additional information.
See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica. Appendix C
K. Sakoda, Optical Properties of Photonic Crystals, Springer, Berlin, 2001

Examples Examples open all close all

Basic Examples (1)Basic Examples (1)

First load the package:

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Define a set of k-points to get finally the data for a DOS calculation by means of MPB.

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Export the data. The reciprocal basis of the square lattice is given:

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In principle it is possible to export also a series of lines. In this case only the k-points itself should be exported. In such a case it is better to use the capabilities of MPB to define the lines.

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