mp-1217378/TePb3Cl2O4/harm

Harmonic properties

../../_images/fig_bandos_pr15226.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19604.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15225.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214838.png

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

Summary

../../_images/fig_times25197.png

(a) Computation time