DL Visualize
DL Visualize is a new, state-of-the-art package for the visualisation of materials structures
and properties.
DLV v3 update 24 September 2012(v3.3-r798,
previous version 3.2-r718). 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 next release of CRYSTAL09 (v2?).
- 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
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DLV is free for academic use.
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Reference |
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B.G. Searle, Computer Physics Communications, 137, p. 25 (2001)
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Problems or questions - Contact us
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