<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif"><div class="gmail_default" style="font-size:12.8px">Hi Sarah,</div><div class="gmail_default" style="font-size:12.8px"><br></div><div class="gmail_default" style="font-size:12.8px">You can do it using Lammps or Quantum Wise. Quantum Wise has this example using cristobalite. The tutorial is here <a href="http://quantumwise.com/publications/tutorials/item/845-generating-amorphous-structures" target="_blank">http://quantumwise.com/publications/tutorials/item/845-generating-amorphous-structures</a> </div><div class="gmail_default" style="font-size:12.8px"><br></div><div class="gmail_default" style="font-size:12.8px">You can try the trial license. ;)</div><div class="gmail_default" style="font-size:12.8px"><br></div><div class="gmail_default" style="font-size:12.8px">cheers</div><div class="gmail_default" style="font-size:12.8px">Alan </div></div></div><div class="gmail_extra"><br><div class="gmail_quote">2016-02-24 18:09 GMT-03:00 Sarah Alpine <span dir="ltr"><<a href="mailto:sarahalpine1@gmail.com" target="_blank">sarahalpine1@gmail.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>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?<br></div>Thanks!<br></div><div class="HOEnZb"><div class="h5"><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Feb 24, 2016 at 12:23 PM, Layla Martin-Samos <span dir="ltr"><<a href="mailto:lmartinsamos@gmail.com" target="_blank">lmartinsamos@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Sarah, you can also use a cristobalite supercell and make molecular dynamics at high temperature to obtain a liquid and then quench it.<div><br></div><div>cheers</div><div><br></div><div>Layla</div></div><div class="gmail_extra"><br><div class="gmail_quote"><div><div>2016-02-24 20:46 GMT+01:00 Sarah Alpine <span dir="ltr"><<a href="mailto:sarahalpine1@gmail.com" target="_blank">sarahalpine1@gmail.com</a>></span>:<br></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div><div dir="ltr"><div><div><div><div>Dear All,<br></div> 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?<br></div>I'd appreciate any feed back.<br></div>Thanks,<br></div>Sarah<br></div>
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<span style="color:rgb(102,102,102)">Alan J. R. Ambrozio<br>Visitant PhD student <br></span></div><div style="color:rgb(80,0,80);font-family:arial,sans-serif;font-size:12.8px;background-color:rgb(255,255,255)"><span style="color:rgb(102,102,102)"></span><span><font color="#888888">Room E19-722<br>
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