[Pw_forum] Amorphous Solid

[Sarah Alpine]

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 <lmartinsamos at gmail.com
> 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 <sarahalpine1 at gmail.com>:
>
>> 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
>>
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