what pair_styles should i give

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1

i have taken a c3a.cif and converted it into .data file. I am using a compass force field taken from msi2lmp folder of lammps. but i am not knowing what pair_style should i give, i am a beginer to this software so some one plz help me with it.

i am attaching the files, plz make the corrections if you can, i just started to run this. hoping for a reply from some one at the earliest.

thank you

with regards
harsha praneeth`
research scholar

c3a.data (9 KB)

compass.frc (64.8 KB)

in.comp.txt (2.36 KB)

2

LAMMPS has many choices for pair styles. You have to
decide which one matches your model. No one is going
to edit your script for you.

Steve