Born Mayer potential for LLZO

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1

Prof. Axel Kohlmeyer,
Thank you for the clarification. It seems parameterisation of potential for LLZO seems to be out of my reach. So is there any way out to study this system by LAMMPS? This is also what I meant by question #3 in the above mail. Thank you.

2

Prof. Axel Kohlmeyer,
Thank you for the clarification. It seems parameterisation of potential for
LLZO seems to be out of my reach. So is there any way out to study this
system by LAMMPS? This is also what I meant by question #3 in the above
mail. Thank you.

you have the question backwards. the way to go about figuring
something like this is to *first* do a comprehensive and thorough
study of the published literature. that will reveal which potentials
have been applied to a particular compound or similar systems and
which are generally applicable for certain problems. then - and *only*
then - you can start looking into whether these potentials are
supported by a specific MD code.

axel.

3

Thank you Prof.Axel Kohlmeyer for your suggestion and time.