mp-675146-2/Pr2PbSe4/harm

Harmonic properties

../../_images/fig_bandos_pr5212.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7433.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5212.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25017.png

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

Summary

../../_images/fig_times9367.png

(a) Computation time