CASTEP can give information about total energies, forces and stresses on an atomic system, as well as calculating optimum geometries, band structures, optical spectra, phonon spectra and much more.

• CASTEP能在一个原子系统上给全部的精力，力量和压力的信息，以及计算最佳几何学，乐队结构，光系列，声子系列并且更多。