MPI für Festkörperforschung / FKF Publikationen 2006 |
|CMPZ – an algorithm for the efficient comparison of periodic structures|
|Authors:||Hundt, R.; Schön, J. C.; Jansen, M.|
|Date of Publication (YYYY-MM-DD):||2006|
|Title of Journal:||Journal of Applied Crystallography|
|Abstract / Description:||The systematic comparison of the atomic structure of solid compounds
has become an important task in crystallography, chemistry, physics and
materials science, in particular in the context of structure prediction
and structure determination of crystalline solids. In this work, an
efficient and robust algorithm for the comparison of periodic
structures is presented, which is based on the mapping of the point
patterns of the two structures into each other. This algorithm has been
implemented as the module CMPZ in the structure visualization and
analysis program KPLOT.
|External Publication Status:||published|
|Communicated by:||N. N.|
|Affiliations:||MPI für Festkörperforschung|
|External Affiliations:||Univ Bonn, Inst Anorgan Chem, D-53121 Bonn, Germany.
; Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany.
|Identifiers:||ISI:000234679400002 [ID No:1] |
ISSN:0021-8898 [ID No:2]
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