Dear Users
I have built the crystal of Fe2O3 by lattice command in Lammps. now I need to built the crystal of Fe to study the interface of Fe/Fe2O3.
because of I cant use the create_box twice in input script then I cant define a box near the Fe2O3 and use create_atoms to create crystal Fe.
please help me how I can do that.
Thanks
Hadi
Dear Users
I have built the crystal of Fe2O3 by lattice command in Lammps. now I need
to built the crystal of Fe to study the interface of Fe/Fe2O3.
because of I cant use the create_box twice in input script then I cant
define a box near the Fe2O3 and use create_atoms to create crystal Fe.
please help me how I can do that.
there is no *need* to run the create_box command twice. create_box sets up
the box for the *entire* system whereas create_atoms operates on a
_region_. now you can have it that the box and the region coincide, but
this need not be. create a region for the box, one for the Fe part, one for
the Fe2O3 part and then you are gold (pun intended).
please re-read the documentation carefully and you will see that this is
very straightforward.
axel.
And you can use the lattice command multiple times.
E.g. once when you create Fe2O3 and once when
you create Fe atoms.
Steve