Crystal
Encyclopedia : C : CR : CRY : 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.
External links
- [CRYSTAL]
- [Computational Materials Science Group]
- [Theoretical Chemistry Group] University of Torino
From Wikipedia, the Free Encyclopedia. Original article here. Support Wikipedia by contributing or donating.
All text is available under the terms of the GNU Free Documentation License See Wikipedia Copyrights for details.