Skip to main content

New answers tagged

3 votes
Accepted

Can conventional unit cell have higher symmetry than primitive cell for the same crystal?

A primitive and conventional cell don't have different symmetries. The primitive cell is a Wigner-Seitz cell of the same Bravais lattice; the primitive cell is the smallest choice, but the ...
Tyler Sterling's user avatar
5 votes
Accepted

Force fields for generating **Co3O4 and Fe3O4 structures in LAMMPS

I am afraid your project to develop a new force field will not work from LAMMPS. The main reason is that, LAMMPS is, in simplest terms, not a first-principles simulation engine, but a molecular ...
Andrey Poletayev's user avatar

Top 50 recent answers are included