Premium
SYMMOL : a program to find the maximum symmetry group in an atom cluster, given a prefixed tolerance
Author(s) -
Pilati T.,
Forni A.
Publication year - 1998
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/s0021889898002180
Subject(s) - symmetry (geometry) , group (periodic table) , point (geometry) , atom (system on chip) , cluster (spacecraft) , set (abstract data type) , physics , molecular symmetry , mathematics , atomic physics , geometry , quantum mechanics , computer science , molecule , parallel computing , programming language
SYMMOL is a new stand‐alone program to find the maximum symmetry compatible with a given tolerance. The input requirements are cell parameters, atomic coordinates and the tolerance. The output is a set of symmetrized coordinates, the point‐group label and the point‐group elements. Some parameters quantifying the deviation from the exact symmetry are also calculated.