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VIBRATE! A program to compute irreducible representations for atomic vibrations in crystals
Author(s) -
Glazer A. M.
Publication year - 2009
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889809040424
Subject(s) - vibration , symmetry (geometry) , group (periodic table) , group theory , simple (philosophy) , computer program , irreducible representation , crystallographic point group , carry (investment) , symmetry group , physics , computer science , crystallography , crystal (programming language) , theoretical physics , crystal structure , mathematics , quantum mechanics , pure mathematics , geometry , chemistry , programming language , philosophy , epistemology , finance , economics
VIBRATE! is a computer program that uses group theory to carry out factor group analysis of a crystal structure. The symmetry species of the normal modes of vibration are derived, together with information relating to the symmetry‐adapted vectors. The program is simple to use, relying on input mainly from a crystallographic information file. The output is presented in a form that should be familiar not only to crystallographers but also to others such as chemical spectroscopists.