mp-505322/CsTaCu2Te4/harm

Harmonic properties

../../_images/fig_bandos_pr9869.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13777.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9869.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29623.png

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

Summary

../../_images/fig_times17147.png

(a) Computation time