mp-554952-2/Te2Pb3Cl2O6/harm

Harmonic properties

../../_images/fig_bandos_pr8808.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12406.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8808.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28569.png

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

Summary

../../_images/fig_times15443.png

(a) Computation time