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DL Visualize

DL Visualize is a new, state-of-the-art package for the visualisation of materials structures and properties.

DLV v3 update 4 December 2013 (v3.3-r837, previous version 3.3-r798) includes initial support for CRYSTAL14. The button mapping in the 3D viewer has changed, please read the release notes for details.

The current release features an interface to the ab-initio periodic Hartree-Fock/DFT software package, CRYSTAL, the EXAFS analysis program DL_EXCURV, GULP v3 and the SXRD package ROD. DLV 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 XP/Vista/7 and Linux (RedHat 5 etc). The core structural editing features are stable and the currently supported interfaces are

  • CRYSTAL06/CRYSTAL09 - Stable with initial support for new CRYSTAL09 functionals and CPHF. Supports phonon dispersion and CI Nudged Elastic Band Transition state calculations with CRYSTAL13.
  • DL_EXCURV - This has benn ported from v2.5 and should be stable. If something that worked in v2.5 now fails please report it.
  • GULP - Ported from v2.5 and stable.
  • ROD - currently in beta release.




The charge density of Si calculated using the CRYSTAL interface within DLV

 
DLV is free for academic use.
  Request an evaluation copy of DLV or DLV+DL_EXCURV
  Request an update to the full v3 release
  v3 documentation
  DLV v3 FAQ
  Legacy v2.5 documentation
  Evaluation copies of CRYSTAL09 can be obtained from the CRYSTAL web site
 

Reference

B.G. Searle, Computer Physics Communications, 137, p. 25 (2001)
 
 
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