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Topic Title: DL Visualize
Topic Summary: Science & Technology Facilities Council. Visualization tool for crystals, surfaces, and molecules free for academic use
Created On: 1/8/2008 10:07 AM

 1/8/2008 10:07 AM

Cathy Rohrer

Posts: 584
Joined: 2/6/2007

DLV v2.5 is a minor update to v2.4 and features an interface to the ab-initio periodic Hartree-Fock/DFT software package, CRYSTAL, the EXAFS analysis program DL_EXCURV and GULP v1.3.1. The new version provides the ability to construct and visualize crystals, surfaces and molecules. The graphical user interface to CRYSTAL provides a simply and intuitive method of setting up input decks, and provides a powerful method of analysing the wavefunctions generated by CRYSTAL and hence of calculating associated properties. The code also provides a simple method of generating LEED patterns from complex surfaces and can provide both single domain and multiple domain patterns.

DLV is available for Windows 2000/XP and Linux (SuSE 9/RedHat 9) and provides the following functionality:

* calculation and display of LEED patterns.
* identification of the Miller indices of crystal and slab directions.
* saving displayed structures as images or VRML.
* support for 2D and 3D datasets.
* an interface to CRYSTAL03 (and CRYSTAL98).
* an interface to DL_EXCURV v1.0.
* access to the UK Chemical Database Service for registered users.
* support for remote job submission to HPCx and CSAR.

Citation: "DL Visualize," The Computational Materials Science Group, Computational Science & Engineering Department, UK's Science & Technology Facilities Council. Last updated 1/3/2008.

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