[EXTERNAL] Re: Lattice constant of Oxygen to input in library.meam (MEAM)

This sounds like a problem with the lattice type. The site you linked to gives lattice constants for a base centered monoclinic structure. This isn't a structure that MEAM knows about, so whatever reference you found for MEAM parameters, I doubt this was the reference structure they had in mind.


Greg Wagner
Manager, Thermal/Fluid Science and Engineering Department
Sandia National Laboratories, Livermore, CA
Tel: (925) 294-2180 Fax: (925) 294-3410
Email: [email protected]