• DL Visualize v3. 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.

 

  • DL EXCURV. EXAFS analysis code from UK SRS. The purpose of the program is to find a structural model of a material (hopefully the right one) which agrees with the available EXAFS spectra.