Ground-state properties of N, P, As
Posted: Wed Jun 20, 2007 3:32 pm
Dear Vasp users,
I'm trying to calculate enthalpies of formation of a complex compound, so I
need to know the total energies of the elemental phases. Thus I'm looking for
lattice constants/atomic positions of nitrogen molecular dimer (N); black
phosphorus (P); and alpha-As. Could anybody provide me such information.
Thank you in advance.
I'm trying to calculate enthalpies of formation of a complex compound, so I
need to know the total energies of the elemental phases. Thus I'm looking for
lattice constants/atomic positions of nitrogen molecular dimer (N); black
phosphorus (P); and alpha-As. Could anybody provide me such information.
Thank you in advance.