Jump to ContentJump to Main Navigation

Founded in 1877!

Zeitschrift für Kristallographie - Crystalline Materials

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Huppertz, Hubert / Petrícek, Václav / Pöttgen, Rainer / Schmahl, Wolfgang / Tiekink, E. R. T. / Zou, Xiaodong

12 Issues per year

IMPACT FACTOR increased in 2013: 1.255

SCImago Journal Rank (SJR): 0.683
Source Normalized Impact per Paper (SNIP): 0.812



CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals

Roberto Dovesi / Roberto Orlando / Bartolomeo Civalleri / Carla Roetti / Victor R. Saunders / Claudio M. Zicovich-Wilson

Citation Information: Zeitschrift für Kristallographie. Volume 220, Issue 5/6/2005, Pages 571–573, ISSN (Print) 0044-2968, DOI: 10.1524/zkri.220.5.571.65065, September 2009

Publication History

June 7, 2004
July 30, 2004
Published Online:


CRYSTAL [1] computes the electronic structure and properties of periodic systems (crystals, surfaces, polymers) within Hartree-Fock [2], Density Functional and various hybrid approximations.

CRYSTAL was developed during nearly 30 years (since 1976) [3] by researchers of the Theoretical Chemistry Group in Torino (Italy), and the Computational Materials Science group in CLRC (Daresbury, UK), with important contributions from visiting researchers, as documented by the main authors list and the bibliography.

The basic features of the program CRYSTAL are presented, with two examples of application in the field of crystallography [4, 5].

Comments (0)

Please log in or register to comment.