mp-1205333/CaTiGeO5/harm

Harmonic properties

../../_images/fig_bandos_pr15394.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19772.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15393.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214997.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times25462.png

(a) Computation time