Stillinger-Weber part of Ti.meam.sw.spline seems to not be applied

LAMMPS LAMMPS Mailing List Mirror
1

I am getting the exact same energy for a configuration using both the Ti.meam.spline and Ti.meam.sw.spline potential files. Perhaps the Stillinger-Weber part is not being calculated.

Also, is the reference in the Ti.meam.sw.spline file correct? It is the same reference as for Ti.meam.spline, but I don’t see anywhere in that reference where a second potential was used.

2

I am getting the exact same energy for a configuration using both the
Ti.meam.spline and Ti.meam.sw.spline potential files. Perhaps the
Stillinger-Weber part is not being calculated.

Also, is the reference in the Ti.meam.sw.spline file correct? It is the same
reference as for Ti.meam.spline, but I don't see anywhere in that reference
where a second potential was used.

have you tried contacting the author of the code and the potential file(s)?
as this specific pair_style is part of the USER-MISC package, the
first point of contact should be the contributing author. the
requirement for such contributions to be included in LAMMPS is
primarily that it compiles and comes with some documentation. no
validation is performed.

axel.