Dear Sarah, you can also use a cristobalite supercell and make molecular dynamics at high temperature to obtain a liquid and then quench it.
cheers Layla 2016-02-24 20:46 GMT+01:00 Sarah Alpine <[email protected]>: > Dear All, > I am trying to simulate amorphous SiO2. If I am correct, it > structures as tetrahedral arrangements wherein all the tetrahedra are > connected, but have random orientations. So, what I am envisioning to do is > create a supercell of about 20 tetrahedra, and orient these 20 based on a > Monte Carlo method. Is this the correct way to simulate the amorphous SiO2? > And if it is, are there any suggestions for how to use a Monte Carlo method > to find the atomic positions? > I'd appreciate any feed back. > Thanks, > Sarah > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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