Dear Lammps users,
I have a question about RDF and coordination numbers.
The RDF in lammps is strongly depends on the the cell size.
The max g® is varying from ~ 200 to ~ 2000 by changing cell volume.
As I know, the coordination numbers depends on the volume weighted sum of g®.
Is this meaning that the g® is also depends on my cell size?
The calculated coordination numbers from FCC is 60, which even larger than max numbers of 12.
How can I get correct coordination values?
Thanks you!
Best regards,
Choi
Dear Lammps users,
I have a question about RDF and coordination numbers.
The RDF in lammps is strongly depends on the the cell size.
that would depend on changing other parameters like density.
The max g® is varying from ~ 200 to ~ 2000 by changing cell volume.
As I know, the coordination numbers depends on the volume weighted sum of g®.
Is this meaning that the g® is also depends on my cell size?
there are finite size effects in MD simulations, but they are far less drastic than what you describe below.
The calculated coordination numbers from FCC is 60, which even larger than max numbers of 12.
How can I get correct coordination values?
there must be some mistake in your calculations.
axel.