Dear Lammps Users,

I am a little confused about “compute voronoi/atom” command in Lammps. It is really appreciated if anyone can help me about it.

Is the second quantities which is calculating by this command the number of Voronoi faces or the number of Voronoi edges?

I read in the document page that " The second is the number of faces of the Voronoi cell, which is also the number of nearest neighbors of the atom in the middle of the cell."

I was thinking the number of faces of Voronoi cell is different from the number of neighbors of atoms in the middle of cell, for example for an Icosahedron Voronoi structure the number of faces is 20 while the number of edges is 30 which I was thinking is the number of neighborhood atoms.

Thank you for your time and help,

Regards,

Sara

Dear Lammps Users,

I am a little confused about "compute voronoi/atom" command in Lammps. It is

really appreciated if anyone can help me about it.

Is the second quantities which is calculating by this command the number of

Voronoi faces or the number of Voronoi edges?

I read in the document page that " The second is the number of faces of the

Voronoi cell, which is also the number of nearest neighbors of the atom in

the middle of the cell."

I was thinking the number of faces of Voronoi cell is different from the

number of neighbors of atoms in the middle of cell, for example for an

Icosahedron Voronoi structure the number of faces is 20 while the number of

edges is 30 which I was thinking is the number of neighborhood atoms.

your thinking is not correct. just have a look how voronoi tesselation

works, e.g. the picture here,

http://en.wikipedia.org/wiki/Voronoi_diagram

and it should be clear that the statement of the manual is correct and

your thinking is not.

axel.