how can we measure the coordinates of vacancy

Dear Sir,
I am workinng on the diffusion of vacancy on the surface, can you please guide me that how can i calculate the coordinates of vacancy during its motion over the surface, so that vacancy movment can be tracked.
Any help and suggestion will be highly appreciated

Regards
Imran

Dear Sir,
I am workinng on the diffusion of vacancy on the surface, can you please
guide me that how can i calculate the coordinates of vacancy during its
motion over the surface, so that vacancy movment can be tracked.
Any help and suggestion will be highly appreciated

this is not really a LAMMPS question, but rather a general simulation issue.
you should start by researching the published literature to find out
how others have solved this and then see how you can apply those
algorithm(s) either to a running LAMMPS simulation or to
postprocessing the trajectory data.

axel.

You may try visualizing the system in AtomEye or whichever program, and track the vacancy by just clicking on the position. But this will work for just a small syatem, and for short runs/frames. For a constructive run, you have to search the related literature to see how people describe doing the same.

Sagar

two more comments.
1) it is much easier to determine the atoms *next* to the vacancy,
e.g.through the coord/atom compute
2) it would be beneficial to post questions from an e-mail account
that hasn't been suspended.

axel.