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
The charge density of Si calculated using the CRYSTAL interface within DLV
|DLV is free for academic use.|
|B.G. Searle, Computer Physics Communications, 137, p. 25 (2001)|
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