  Phonon frequencies at Gamma-point in non-magnetic rhombohedral phase of
LaCoO3 were calculated using density functional theory (DFT) with hybrid
exchange correlation functional PBE0. The calculations involved a comparison of
results for two types of basis functions commonly used in ab intiio
calculations, namely the plane wave (PW) approach and linear combination of
atomic orbitals (LCAO), as implemented in VASP and CRYSTAL computer codes,
respectively. A good qualitative, but also within an error margin of less than
30%, a quantitative agreement was observed not only between the two formalisms
but also between theoretical and experimental phonon frequency predictions. It
is concluded that the hybrid PBE0 functional is able to predict correctly the
phonon properties in LaCoO3.
