CASTEP

CASTEP is software to calculate the electronic properties of crystalline solids, surfaces, molecules, liquids and amorphous materials. Maintained by the CASTEP Developers' Group.

File Information
CASTEP has many Input and Output formats. Top three being .CASTEP, .CELL, and .PARAM

Software & Sample Files

 * Elastic Constants
 * castep2shengbte
 * CASTEP Tutorials