mp-505321/CsNbCu2Te4/harm

Harmonic properties

../../_images/fig_bandos_pr9867.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13775.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9867.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29621.png

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

Summary

../../_images/fig_times17145.png

(a) Computation time