mp-1190498/Zn3TeP2Pb3O14/harm

Harmonic properties

../../_images/fig_bandos_pr15991.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20404.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15990.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215586.png

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

Summary

../../_images/fig_times26331.png

(a) Computation time