mp-505634/Cs2Te3/harm

Harmonic properties

../../_images/fig_bandos_pr9888.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13798.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9888.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29642.png

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

Summary

../../_images/fig_times17180.png

(a) Computation time