Dear all users,
I want to setup hcp strcture in lammps. I have built non-orthogonal unit cell and added two atoms. It as follows
lattice custom 1 &
a1 2.79830 -2.45650 0.00000 &
a2 0.00000 3.23120 0.00000 &
a3 0.00000 0.00000 5.14770 &
basis 0.66667 0.33333 0.75000 &
basis 0.33333 0.66667 0.25000
I used periodic boundary ,I want to know if build simulation box how to choose region style?
LAMMPS has a lattice hcp option which is probably better to use
than building your own. The region is simply the volume you want
to fill with the lattice, so it's up to you.
Steve
2009/7/12 dinglanhua2008 <[email protected]...>: