I wrote a how to about building a triclinic simulation box and used diamond silicon as an example. I hope that it helps:
http://tamupostdoc.blogspot.com/2009/11/lammps-howtos-how-to-simulate-non.html
Dundar.
I wrote a how to about building a triclinic simulation box and used diamond silicon as an example. I hope that it helps:
http://tamupostdoc.blogspot.com/2009/11/lammps-howtos-how-to-simulate-non.html
Dundar.