And thank you for this forum, it has been great help to get started with lammps.
I am modeling Si-Ge superlattice with tersoff potential. My problem is that my
temperature/distance -profile is opposite to what i can find from literature(only one
source i have). From G.Chens book i find picture of temperature distribution where Si is
about 30-40 degrees hotter than Ge in around 300 K. In my simulation it goes just the
I know that ave/spatial calculates same mass for all atoms, but im using it separately
for different groups of atoms.
I havent found any trivial error in my script.
Any experienced folks about this kind of situation around here?
Any wise words to share?
Thanks and keep on coding!