mp-14715/Pr2Au5F21/harm

Harmonic properties

../../_images/fig_bandos_pr14519.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18875.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14519.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214138.png

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

Summary

../../_images/fig_times24172.png

(a) Computation time