mp-766345/Y5O4F7/harm

Harmonic properties

../../_images/fig_bandos_pr2766.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3395.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2766.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22587.png

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

Summary

../../_images/fig_times4632.png

(a) Computation time