DL Visualize

Abstract

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.