ZnO

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1

Thanks Dr. Axel.
Could you please advice me some way of working with ZnO in windows?
I mean, what’s the pair_style and pair-coeff I’ve to use?
Where to get the corresponding potential file?

Many thanks.

JV.

2

Thanks Dr. Axel.
Could you please advice me some way of working with ZnO in windows?

sorry, no.

I mean, what's the *pair_style* and *pair-coeff* I've to use?

Where to get the corresponding potential file?

you are doing things the wrong way around.

*first* you need to find out what is a suitable potential function for your
material and for the conditions that you want to study. for this you have
to search the published literature. nobody will do that for you. once you
have found what you need, *then* you can check if this potential is
available in the binary that you are using. if not, you need to look for an
alternative, learn how to compile lammps on windows by yourself (so you can
include what you need), or run your simulation on a different platform.

axel.

3

Many thanks Dr. Axel for pointing out my mistakes and advising the correct way.
Thanks again.

JV.