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The Harwell TAILS computer program
Author(s) -
Rouse K. D.,
Cooper M. J.
Publication year - 1981
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/s0021889881008765
Subject(s) - computer program , anharmonicity , thermal , extinction (optical mineralogy) , scattering , neutron diffraction , diffraction , neutron , physics , neutron scattering , computational physics , inelastic neutron scattering , computer science , nuclear engineering , nuclear physics , materials science , optics , engineering , condensed matter physics , thermodynamics , programming language
The Harwell TAILS computer program is a versatile program for crystal structure refinement through the analysis of neutron or X‐ray diffraction data from single crystals or powders. The main features of the program, which include the use of integrated intensities as the observed qualities, the ability to apply corrections for extinction and thermal diffuse scattering and the facility for modelling anharmonic thermal vibrations, are described. Examples of its application are also given.