Dear Susie
Read the manual.
Currently, there are five kinds of CNA patterns LAMMPS recognizes:
· fcc = 1
· hcp = 2
· bcc = 3
· icosohedral = 4
· unknown = 5
It does not support diamond lattice.A value of 5 for this means lammps can not identify this to any lattice structure.
Hope this helps.
Regards,
Hanif.
|