mp-510646-2/TlPPbS4/harm

Equation of state

../../_images/fig_bm4799.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9621.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13438.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9621.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29382.png

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

Summary

../../_images/fig_times16724.png

(a) Computation time