CRYSTAL is a
quantum chemistry ab initio program, designed primarily for calculations on crystals (3 dimensions), slabs (2 dimensions) and polymers (1 dimension) using
translational symmetry, but it can also be used for single molecules. It is written by V.R. Saunders, R. Dovesi, C. Roetti, R. Orlando, C.M. Zicovich-Wilson, N.M. Harrison, K. Doll, B. Civalleri, I.J. Bush, Ph. D’Arco, and M. Llunell from Theoretical Chemistry Group at the
University of Torino and the Computational Materials Science Group at the
Daresbury Laboratory near
Warrington in
Cheshire, England. The current version is CRYSTAL14, released in June 2014. Earlier versions were CRYSTAL88, CRYSTAL92, CRYSTAL95, CRYSTAL98, CRYSTAL03, CRYSTAL06, and CRYSTAL09.
