Phonons-LiGa5O8

data related to paper on LiGa5O8 phonons

1. Fig. 2: Electronic energy bands of LiGa5O8 obtained in Abinit in PBESol Electronic_BANDS.agr is a xmgrace file which contains the data as well as formatting instructions.
2. Fig. 3: phonon bands phonon bands obtained from abinit Phonon_BANDS.agr is a xmgrace file which contains the data as well as formatting instructions.
3. Fig. 4 : Phonon_DOS_by_atom. Abinit generated data file for phonon dos and partial contributions. The file is organized with first column frequency, next total dos and contriobutions from each of the 56 atoms. An xmgrace file Phonon_DOS.agr is also provided.
4. Fig;5 Dielectric_properties.dat provides the data for fig. 5 in column format, ascii txt file. In addition the file Oscillator_Strength.dat contains the oscillator strengths for all modes.
5. Figs. 7-8: Raman_modes_for_parallel_polarization.dat provides the Raman cross sections for each Raman active mode.
6. Fig. 9: Raman_intensities_for_averaging_over_all_angle.dat provides an ascii file with Raman cross sections in atomic units for angular averaging and specific scattering gteometries
7. The Raman susceptibility tensors for each mode, ascii file.