Dear lammps user
Can anyone help me to write the script for Fe3O4? I have gone through all the tutorials but did not find any which will give me some idea to write some metal structure like iron oxide.
I have also searched past question but did not get one. Can you help me about it.
Dear lammps user
Can anyone help me to write the script for Fe3O4? I have gone through all
the tutorials but did not find any which will give me some idea to write
some metal structure like iron oxide.I have also searched past question but did not get one. Can you help me
about it.
you must have narrowed your searches too much. there are *plenty* of
discussions on building all kinds of crystal structures, either via lattice
and create_atoms or by creating a data file and using read_data. there are
examples in the tutorials and there are examples bundled with LAMMPS. and
above all, there is the LAMMPS manual with detailed discussion of the
various individual commands and examples of how to get started and how to
do specific tasks.
however, the core information is missing here: what kind of force field or
potential do you plan to use in order to model your system?
that is crucial to know, as that determines what information you have to
enter to describe your system.
axel.