I’ve been trying to start a simulation with reax.I found that the ffield.reax file had Si and Al in February last year.But they have disappeared in this file now.
What is the reason?…I want to start a simulation with Al and Si in Reaxff…so…I am confused about this matter…
Al was never included in the LAMMPS ffield.reax. Also, the parameters for Si
were not particularly good, and so we took them out. If you wish to get a
good parameter set for these elements, I suggest you contact Bill Goddard or
Adri van Duin directly.