mp-510460/CsLaZnTe3/harm

Harmonic properties

../../_images/fig_bandos_pr9611.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo9611.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc29372.png

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

Summary

../../_images/fig_times16709.png

(a) Computation time