ISSN:
1662-9779
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Physics
Notes:
A multi-purpose pattern-fitting system, RIETAN-2000, has been extensively utilized tocontribute to many structural studies. It offers a sophisticated structure-refinement technique ofwhole-pattern fitting based on the maximum-entropy method (MEM) in combination with a MEManalysis program PRIMA. We have recently completed a successor system, RIETAN-FP, toRIETAN-2000, adding new features such as standardization of crystal-structure data, an extendedMarch-Dollase preferred-orientation function, and automation of imposing restraints on bondlengths and angles. Further, we have been developing a new three-dimensional visualization system,VESTA, using wxWidgets as a C++ application framework. VESTA excels in visualization, rendering,and manipulation of crystal structures and electron/nuclear densities determined by X-ray/neutron diffraction and electronic-structure calculations. VESTA also enables us to display wavefunctions and electrostatic potentials calculated with part of these programs
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/24/transtech_doi~10.4028%252Fwww.scientific.net%252FSSP.130.15.pdf
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