Hi
As we know that there is a very small difference between the BCC and BCT structure (a=b=!c) apart from the symmetry based differences. Now i’m wondering that how can I distinguish between the BCC and BCT structure from radial distribution function (RDF) ? Also one RDF is attached in this e-mail, and I’m in confusion which crystal structure (BCC/BCT) it is ?
Thanks in advance for your time and attention. I am apologetic for posting this non-lammps related question.
Hi
As we know that there is a very small difference between the BCC and BCT
structure (a=b=!c) apart from the symmetry based differences. Now i'm
wondering that how can I distinguish between the BCC and BCT structure from
radial distribution function (RDF) ? Also one RDF is attached in this
e-mail, and I'm in confusion which crystal structure (BCC/BCT) it is ?
as a scientist, you should be able to apply the "scientific method".
you already have a testable hypothesis, so simply set up a
representative simulation for each lattice and compute the RDF from
it. then compare the resulting graphs to each other and the graph you
have. done.