mp-554952/Te2Pb3Cl2O6/harm

Equation of state

../../_images/fig_bm4446.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8807.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12405.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8807.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28568.png

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

Summary

../../_images/fig_times15442.png

(a) Computation time