Logo of Phonon CaTiO_3


K.Parlinski and Y.Kawazoe,
Ab initio studies of phonons in CaTiO_3.
J.Chem.Phys. 114, 2395 (2001).

Crystal: Calcium titanate CaTiO_3
Software: VASP ver. 4.3.3
Space group: orthorhombic, Pmnb (Z=4)
Lattice constants: a=7.4020, b=5.3596, c=5.1724 angst.
Supercell: 1 x sqrt(2) x sqrt(2).
Pseudopotentials: ultrasoft of Vanderbilt.
k-points: 2x2x2.

Phonon dispersion relations of calcium titanate CaTiO_3 in Pbnm perovskite-type phase:

Phonon Dispersion Curves of CaTiO_3 in Pmnb