mp-505321-2/CsNbCu2Te4/harm

Equation of state

../../_images/fig_bm4916.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9868.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13776.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9868.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29622.png

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

Summary

../../_images/fig_times17146.png

(a) Computation time