Hi,
I want to simulate the melting behaviour of alumina. How to generate lattice structure of alumina( Al2O3) by using lattice command in LAMMPS.Is there any other method to generate the lattice structure of alumina. please suggest me.
Hi,
I want to simulate the melting behaviour of alumina. How to generate lattice structure of alumina( Al2O3) by using lattice command in LAMMPS.Is there any other method to generate the lattice structure of alumina. please suggest me.
lammps comes with some examples, there is the manual and
you can look for some more examples that are mentioned in
archived posts of the mailing list.
alternatively you can use any software you like to create the atom
positions and then use a script/software to turn those into a data file.
i am doing this for periodic bulk molecular systems and wrote a
plugin for VMD that is able to do most of the work, but there is
no reason that this should not work for a a lattice system.
cheers,
axel.
If you know the lattice structure, then read the
doc page for the lattice command carefully.
It should be able to generate it.
Steve