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Topic Title: XCrysDen... X-Window CRYstalline Structures and DENsities
Topic Summary: A. Kokalj, Jozef Stefan Institute. Visualization software freely available under GNU General Public License
Created On: 12/17/2007 9:30 AM

 12/17/2007 9:30 AM

Cathy Rohrer

Posts: 584
Joined: 2/6/2007

XCrySDen is a crystalline and molecular structure visualisation program, which aims at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It also possesses some tools for analysis of properties in reciprocal space such as interactive selection of k-paths in the Brillouin zone for the band-structure plots, and visualisation of Fermi surfaces.

It can run on most UNIX platforms, without any special hardware requirements.
XCrySDen has been also ported to MAC OSX (requires X11) and Windows (requires CYGWIN).

XCrySDen is released under the GNU General Public License.
Whenever graphics generated by XCrySDen are used in scientific publications, it shall be greatly appreciated to include an explicit reference. The preferred form is the following:

A. Kokalj, Comp. Mater. Sci., 2003, Vol. 28, p. 155. Code available from

Citation: A. Kokalj, "XCrysDen...X-Window CRYstalline Structures and DENsities." Copyright © 1996--2004 by Anton Kokalj. Last modified June 17, 2005.

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