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We study transformation pathways leading from 4- to 6-coordinated silica using an improved version of the metadynamics method for the study of structural phase transitions in crystals Marto n n\'ak, Laio, and Parrinello, Phys. Rev. Lett. 90, 075503 (2003). The technique is able to simulate complex reconstructive structural transformations proceeding via number of intermediate states. In particular, we reproduce the experimentally observed crystal structures that are found upon pressurization of -quartz. We also predict a low-energy transformation pathway from coesite to the metastable -PbO₂ phase.
Martoňák et al. (Fri,) studied this question.