mp-10409-2/Ba4Nd2Cd3Se10/harm

Harmonic properties

../../_images/fig_bandos_pr558.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos484.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo558.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2478.png

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

Summary

../../_images/fig_times824.png

(a) Computation time