mp-1212158-2/Hf3GeO8/harm

Harmonic properties

../../_images/fig_bandos_pr15501.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19873.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15500.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215096.png

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

Summary

../../_images/fig_times25605.png

(a) Computation time