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Crystal (software) : ウィキペディア英語版 | Crystal (software)
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.〔''Computational Chemistry'', David Young, Wiley-Interscience, 2001. Appendix A. A.2.2 pg 334, Crystal〕 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. ==Features==
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