Tables for
Volume D
Physical properties of crystals
Edited by A. Authier

International Tables for Crystallography (2013). Vol. D, ch. 1.2, pp. 62-64

Section Overview

M. Ephraïm,b T. Janssen,a A. Jannerc and A. Thiersd Overview

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The determination of tensors with specified properties often requires long calculations. In principle the algorithms are simple, but in complicated cases errors can be made. This is therefore a situation in which it is best to rely on computer calculations. For this reason, this volume is accompanied by two software packages. Here we shall give a short introduction to the Tenχar package that deals with tensors with specific symmetry properties in the first module, and with characters of representations of point groups in the second module. The latter play a role when determining the number of independent elements of a tensor invariant under a given point group, but they are much more widely applicable.

The software package has a graphical interface with windows and buttons. When the program is started, a window opens up in which a choice may be made between the tensor part or the character part of the program.

Within each of the two sections of the program, the results of the calculations are given in numbered windows. It is possible to browse through the various pages. Each page may be sent to a separate window (by the command `to window'), or to a file (by the command `to file'). Opened windows may be closed again using a `close' button.

Special features of the package are that it is dimension- and rank-independent, and that it performs the calculations in an exact way. The number of dimensions and the rank are only limited by the computer memory and by the time the program needs for higher dimensions and ranks. The calculations are exact in the sense of the computer algebra software. Here this is achieved by performing the calculations with integers and cyclotomics. Use of arbitrary real numbers would imply a finite precision.

Detailed instructions for the use of the program, together with a guided tour (QuickStart), can be found in the manual for the program.

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