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The split-atom method

THE SPECTRUM OF RIGID UNIT MODES IN SILICATES The split-atom method... [Pg.6]

Figure 4. Representation of the split-atom method. The spring only opens up for motions that would otherwise distort the tetrahedra. Figure 4. Representation of the split-atom method. The spring only opens up for motions that would otherwise distort the tetrahedra.
We have developed a molecular lattice dynamics program, based on the split-atom method, for the calculation of the RUMs in any framework stmcture (Giddy et al. 1993, Hammonds et al. 1994). This solves the dynamical matrix for any given wave vector, and the modes with zero frequency are the RUMs associated with that wave vector. The... [Pg.6]

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