Hi everybody,
As I found, the input file " ffield.reax" exists only for
Oxygen, Iron, Carbon and Hydrogen, etc in LAMMPS (namely:
ffield.reax.Fe_O_C_H). However, I have not seen any similar file for
Ruthenium.
I would appreciate it if somebody could send me the related file for
Ruhenium(RU).
Kind regards,
Mojtaba Salehi
Hi everybody,
As I found, the input file " ffield.reax" exists only for
Oxygen, Iron, Carbon and Hydrogen, etc in LAMMPS (namely:
ffield.reax.Fe_O_C_H). However, I have not seen any similar file for
Ruthenium.I would appreciate it if somebody could send me the related file for
Ruhenium(RU).
it is generally considered a good idea to spend some time reading the
documentation and background information. this is doubly true for
reaxff based calculations. please do so, and you will find a pointer
to the proper place to look for what you are asking for.
axel.