CRYSTAL
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 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 CRYSTAL03. Earlier versions were CRYSTAL92, CRYSTAL95 and CRYSTAL98.
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CRYSTAL*
Computational Materials Science Group*
Theoretical Chemistry Group University of Torino
