Logo of Phonon Al

PHONON, Ver. 1.04

P.Scharoch, K.Parlinski and A.Kiejnia,
Ab initio calculations of phonon dispersion relations in aluminium.
Acta Phys.Pol. A97, 349 (2000).

Crystal: Aluminium
Software: Ab initio fhi96md [1].
Space group: cubic, Fm-3m (O_h^5) (Z=1)
Lattice constants: a=3.97 angst.
Supercell: 2x2x2.
Pseudopotentials: norm-conserving of Kleinman and Bylander.
k-points: 10.

Phonon dispersion relations of Al:

Phonon Dispersion Curves of Al

[1] M.Bockstedte, A.Kley, J.Neugenbauer and M.Scheffler, Comput. Phys.Commun. 107, 187 (1997).