MODY – calculation of ordered structures by symmetry-adapted functions

Abstract

In this paper we focus on the new version of computer program MODY for calculations of symmetryadapted functions based on the theory of groups and representations. The choice of such a functional frame of coordinates for description of ordered structures leads to a minimal number of parameters which must be used for presentation of such structures and investigations of their properties. The aim of this work is to find those parameters, which are coefficients of a linear combination of calculated functions, leading to construction of different types of structure ordering with a given symmetry. A spreadsheet script for simplification of this work has been created and attached to the program.

Keywords

• ordered structures
• symmetry analysis
• theory of groups and representations
• computer program
• 60
• 61.50.ah
• 61.43.bn
• 61.50.ks