Hi All,
I’m trying to study Titanium-Oxygen (Ti-O) system and I find there is a reported potential for this purpose in NIST Potential Repository by Prof. Dallas Trinkle. However, the potential is provided as MEAM/spline format( named “TiO.meam.spline” ) which only supports single element according to lammps manual. That makes me very confused. I’m wondering if anyone has successfully used this potential for Ti-O system? Thank you!
Best regards,
Zhi Li
Hi All,
I'm trying to study Titanium-Oxygen (Ti-O) system and I find there is a
reported potential for this purpose in NIST Potential Repository by
Prof. Dallas Trinkle. However, the potential is provided as MEAM/spline format(
named "TiO.meam.spline" ) which only supports single element according to
lammps manual. That makes me very confused. I'm wondering if anyone has
successfully used this potential for Ti-O system? Thank you!
there is indeed a multi-element meam/spline implementation for LAMMPS,
however, it has not been released, since it didn't quite live up to the
standards of the LAMMPS developers when it was submitted for inclusion
(about 3 years ago) and - this far - nobody has found the time and energy
to adapt it accordingly. i have the code still sitting in my (overfull)
TODO folder.
axel.