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A method of deriving d-dimensional crystallographic colour lattices with no symmetry conditions on the basis vectors is given. A number of nonequivalent n-colour lattices is evaluated for d 4 and any finite n. An application of colour lattices for obtaining spin translation groups is presented....
Magnetic molecular models for simulation of crystal structures are supplemented by calculations based on geometrical idealization of the molecules. An answer is given to the question why solid nitrogen and acetylene present polymorphism whereas carbon dioxide does not. The different crystal...
Equations relating the first and second partial derivatives of the lattice energy (with respect to the unit-cell constants) to the components of the elastic stiffness tensor have been obtained for orthorhombic crystals. By assuming a Born-Mayer model for the lattice energy, and using Ewald's...
A varying-step algorithm is presented which allows the automatic selection of the step for the integration of Takagi-Taupin equations.
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