Re: [Ifeffit] calculating particle size from coordination numbers

2013-10-31 Thread Bruce Ravel
On 10/30/2013 11:40 AM, Georges Siddiqi wrote: Regarding your suggestions, I'm a bit unclear how I can implement this in Artemis. Is this approach similar to one of your papers: http://scitation.aip.org/content/aip/journal/jap/94/1/10.1063/1.1581344 where you relate the nanoparticle coordination

Re: [Ifeffit] calculating particle size from coordination numbers

2013-10-30 Thread Georges Siddiqi
Hi Scott, thanks a lot for your detailed response! Regarding your suggestions, I'm a bit unclear how I can implement this in Artemis. Is this approach similar to one of your papers: http://scitation.aip.org/content/aip/journal/jap/94/1/10.1063/1.1581344 where you relate the nanoparticle coordina

Re: [Ifeffit] calculating particle size from coordination numbers

2013-10-29 Thread Scott Calvin
Hi George, Do you have a rough sense of the shape of your nanoparticles? I've consistently found (and I think Anatoly Frenkel has as well) that these kinds of methods tend to underestimate the size of nanoparticles, and in fact give a "size" for bulk metals which suggests they're actually large