Thanks for your response, Layla. I don't know about this process; can you please direct me to an example or some literature that would describe it in detail? Is there QE code anywhere that I can reference? Thanks!
On Wed, Feb 24, 2016 at 12:23 PM, Layla Martin-Samos <[email protected] > wrote: > 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 >> > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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