A question about centro/atom parameter

Hi Dear Lammps users

Is physically possible to have centro/atom values larger than 23?

And in the lammps user guide, the values of centro/atom parameter for Bulk lattice, Stacking faults, Dislocation core and Surface is written. What about the values out of these ranges and is it physically admissible to these values?


RJ Ford

These are "not" the only values for the respective defects, but are just a
first principle estimates. CSP is a local property and is dependent on
temp. etc., along with the local configuration. A little literature survey
will satisfy you further.